Typical interatomic distances: organometallic compounds and coordination complexes of the d- and f-block metals

Orpen, A. G.; Brammer, L.; Allen, F. H.; Watson, D. G.; Taylor, R.

doi:10.1107/97809553602060000622

International
Tables for
Crystallography
Volume C
Mathematical, physical and chemical tables
Edited by E. Prince

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International Tables for Crystallography (2006). Vol. C. ch. 9.6, pp. 812-896
https://doi.org/10.1107/97809553602060000622

Chapter 9.6. Typical interatomic distances: organometallic compounds and coordination complexes of the d- and f-block metals

A. G. Orpen,^a L. Brammer,^b F. H. Allen,^c D. G. Watson^c and R. Taylor^c

^a School of Chemistry, University of Bristol, Bristol BS8 1TS, England,^bDepartment of Chemistry, University of Missouri–St Louis, 8001 Natural Bridge Road, St Louis, MO 63121-4499, USA, and ^cCambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, England

Statistics, including averages, for lengths of metal–ligand bonds are reported, together with some intraligand distances, for complexes of the d- and f-block metals. Mean values are presented for 325 different bond types involving metal atoms bonded to H, B, C, N, O, F, Si, P, S, Cl, As, Se, Br, Te or I atoms of the ligands.

Keywords: basic structural features; bonds; coordination complexes; interatomic distances; organometallic compounds.

9.6.1. Introduction

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The determination of molecular geometry is of vital importance to our understanding of chemical structure and bonding. The majority of experimental data have come from X-ray and neutron diffraction, microwave spectroscopy, and electron diffraction. Over the years, compilations of results from these techniques have appeared sporadically. The first major compilation was Chemical Society Special Publication No. 11: Tables of Interatomic Distances and Configuration in Molecules and Ions (Sutton, 1958 ). This volume summarized results obtained by diffraction and spectroscopic methods prior to 1956; a supplementary volume (Sutton, 1965 ) extended this coverage to 1959. Summary tables of bond lengths between carbon and other elements were also published in Volume III of International Tables for X-ray Crystallography (Kennard, 1962 ). Some years later, the Cambridge Crystallographic Data Centre (Allen, Bellard, Brice, Cartwright, Doubleday, Higgs, Hummelink, Hummelink-Peters, Kennard, Motherwell, Rodgers & Watson, 1979 ) produced an atlas-style compendium of all organic, organometallic and metal-complex crystal structures published in the period 1960–1965 (Kennard, Watson, Allen, Isaacs, Motherwell, Pettersen & Town, 1972 ). More recently, a survey of geometries determined by spectroscopic methods (Harmony, Laurie, Kuczkowski, Schwendemann, Ramsay, Lovas, Lafferty & Maki, 1979 ) has extended coverage in this area to mid-1977. A notable compendium of structural data, without geometric information, was given in Comprehensive Organometallic Chemistry (Bruce, 1981 ), covering all complexes with metal–carbon bonds. The BIDICS (Brown, Brown & Hawthorne, 1982 ) series, which finished in 1981, provided for some years a full coverage of metal complexes giving both bibliographic and geometric information. There have also been valuable annual summaries, without geometric information, on the structures of organometallic compounds determined by diffraction methods (Russell, 1988 ).

The production of further comprehensive compendia of X-ray and neutron diffraction results has been precluded by the steep rise in the number of published crystal structures, as illustrated by Fig. 9.6.1.1 . Print compilations have been effectively superseded by computerized databases. In particular, the Cambridge Structural Database now contains bibliographic, chemical, and numerical results for some 86 000 organo-carbon crystal structures. This machine-readable file fulfils the function of a comprehensive structure-by-structure compendium of molecular geometries. However, the amount of data now held in the CSD is so large that there is also a need for concise, printed tabulations of average molecular dimensions.

Figure 9.6.1.1| top | pdf |

Growth of the Cambridge Structural Database as number of entries (N_ent) added annually. The structures containing d- or f-block metals are indicated by shading.

The only tables of average geometry in general use are those contained in the Chemical Society Special Publications of 1958 and 1965 (Sutton, 1958 , 1965 ), which list mean bond lengths for a variety of atom pairs and functional groups. Since these early tables were based on data obtained before 1960, we have used the CSD to prepare a new table of average bond lengths in organic compounds (see Chapter 9.5 ) and in metal complexes. The table given here (Table 9.6.3.3 ) specifically lists average lengths for metal–ligand distances, together with intra-ligand distances, involving bonds between the d- and f-block metals (Sc–Zn, Y–Cd, La–Hg, Ce–Lu, Th–U) and atoms H, B, C, N, O, F, Si, P, S, Cl, As, Se, Br, Te, and I of ligands. Mean values are presented for 324 different bond types involving such metal–ligand bonds.

9.6.2. Methodology

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9.6.2.1. Selection of crystallographic data

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All results given in Table 9.6.3.3 are based on X-ray and neutron diffraction results retrieved from the September 1985 version of the CSD. Neutron diffraction data only were used to derive mean bond lengths involving hydrogen atoms. This version of the CSD contained results for 49 854 single-crystal diffraction studies of organo-carbon compounds; 9802 of these satisfied the acceptance criteria listed below and were used in the averaging procedures:

(i) Structure contains a d- or f-block metal.
(ii) Atomic coordinates for the structure have been published and are available in the CSD.
(iii) Structure was determined from diffractometer data.
(iv) Structure does not contain unresolved numeric data errors from the original publication (such errors are usually typographical and are normally resolved by consultation with the authors).
(v) Only structures of higher precision were included on the basis that either (a) the crystallographic R factor was ≤ 0.07 and the reported mean estimated standard deviation (e.s.d.) of the C—C bond lengths was ≤ 0.030 Å (corresponds to AS flag = 1, 2 or 3 in the CSD), or (b) the crystallographic R factor ≤ 0.05 and the mean e.s.d. for C—C bonds was not available in the database (AS = 0 in the CSD).
(vi) Where the structure of a given compound had been determined more than once within the limits of (i)–(v), then only the most precise determination was used.

The structures used in Table 9.6.3.3 do not include compounds whose structure precludes them from the CSD (i.e. not containing `organic' carbon). In practice, structures including at least one C—H bond are taken to contain `organic' carbon. Thus, the entry for Cr—CO distances has a contribution from [NEt₄][Cr(μ-H)(CO)₁₀] but not from K[Cr(μ-H)(CO)₁₀] or [Cr(CO)₆].

9.6.2.2. Program system

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All calculations were performed on a University of Bristol VAX 11/750 computer. Programs BIBSER, CONNSER, RETRIEVE (Allen et al., 1979 ) and GEOSTAT (Murray-Rust & Raftery, 1985a ,b ), as locally modified, were used. A stand-alone program was written to implement the selection criteria, whilst a new program (STATS) was used for statistical calculations described below. It was also necessary to modify CONNSER to improve the precision with which it locates chemical substructures. In particular, the program was altered to permit the location of atoms with specified coordination numbers. This was essential in the case of carbon so that atoms with coordination numbers 2, 3, and 4 (equivalent to formal hybridization state sp¹, sp², sp³) could be distinguished easily and reliably. Considerable care was taken to ensure that the correct molecular fragment was located by GEOSTAT in the generation of geometrical tabulations. Searches were conducted for all metals together and statistics for individual metal elements and subdivision of the entry for a given metal carried out subsequently. An important modification to GEOSTAT allowed for calculation of metal-atom coordination number with due allowance for multihapto ligands and μ₂ ligands. Thus, η⁵-C₅H₅, η⁶-C₆H₆, and other η⁵ and η⁶ ligands were assigned to occupy 3 coordination sites, η³ and η⁴ ligands such as allyls and dienes to occupy 2 coordination sites, and η² ligands such as alkenes 1 site, and so on. The approach taken in dealing with (μ₂) bridging ligands was that when a metal–metal bond is bridged by one atom of a ligand [e.g. as in Cl, CO, OMe etc. as in (a), (b) below] then only the non-metal atom is counted as occupying a coordination site. For the relatively rare case of bridging polyhapto ligands (in which the bridging atoms are linked by direct bonds), the assignment follows logically, thus, μ₂-η²,η²-alkyne, see (c) below, occupies one site on each metal. Bridging ligands that do not have one atom bonded to both metals [e.g. acetate in (d) below] contribute to metal coordination numbers as do terminal ligands. In examples (a)–(d) below, the metal atoms therefore have coordination numbers as follows: (a), Rh 4; (b), Fe 6; (c), Co 4; (d), Rh 6. For cases where coordination number is very difficult to assign, notably where a metal atom is bonded to more than one other metal atom as in metal cluster complexes, no assignment was attempted. [Scheme cbch9.6scheme1]

The non-location of hydrogen atoms presents major difficulties, both in the determination of coordination numbers for metal atoms, and for correct identification of ligands (e.g. to distinguish methoxide from methanol). Care was therefore taken to exclude cases where any ambiguity existed [e.g. no data taken for M—(OCH₃) and M—O(H)CH₃ distances when both are present in a structure in which hydrogen-atom positions were not reported].

9.6.2.3. Classification of bonds

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The classification of metal–ligand bonds in Table 9.6.3.3 is based on the ligating contacting atom. Thus, all metal–boron distances appear in sections 2.1–2.3 of Table 9.6.3.3 , all metal–carbon distances in sections 3.1–3.22, and so on. Where intra-ligand interatomic distances (e.g. P—C distances in tertiary phosphines) are given in Table 9.6.3.3 , they are averaged over all metals and precede the individual metal–ligand interatomic distances for that ligand.

Table 9.6.3.3 is designated: (i) to appear logical, useful, and reasonably self-explanatory to chemists, crystallographers, and others who may use it; (ii) to permit a meaningful average value to be cited for each bond length. With reference to (ii), it was considered that a sample of bond lengths could be averaged meaningfully if: (a) the sample was unimodally distributed; (b) the sample standard deviation (σ) was reasonably small, ideally less than ca 0.04 Å; (c) there were no conspicuous outlying observations – those that occurred at > 4σ from the mean were automatically eliminated from the sample by STATS, other outliers were inspected carefully; (d) there were no compelling chemical reasons for further subdivision of the sample. It should be noted that Table 9.6.3.3 is not intended to be complete in covering all possible ligands. The purpose of the table is to provide information on the interatomic distances for ligands of the greatest chemical importance, notably for those that are simple and/or common.

9.6.2.4. Statistics

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Where there are less than four independent observations of a given bond length, then each individual observation is given explicitly in Table 9.6.3.3 . In all other cases, the following statistics were generated by the program STATS.

(i) The unweighted sample mean, d, where $[d=\textstyle\sum\limits^n_{i=1}d_i/n]$ and is the ith observation of the bond length in a total sample of n observations. Recent work (Taylor & Kennard, 1983 , 1985 , 1986 ) has shown that the unweighted mean is an acceptable (even preferable) alternative to the weighted mean, where the ith observation is assigned a weight equal to 1/var(d_i). This is especially true where structures have been pre-screened on the basis of precision.
(ii) The sample median, m. This has the property that half of the observations in the sample exceed m, and half fall short of it.
(iii) The sample standard deviation, σ, where $[\sigma=\left[\textstyle\sum\limits^n_{i=1}(d_i-d)^2/(n-1)\right]^{1/2}.]$
(iv) The lower quartile for the sample, . This has the property that 25% of the observations are less than and 75% exceed it.
(v) The upper quartile for the sample, . This has the property that 25% of the observations exceed and 75% fall short of it.
(vi) The number (n) of observations in the sample.

The statistics given in Table 9.6.3.3 correspond to distributions for which the automatic 4σ cut-off (see above) had been applied, and any manual removal of additional outliers (an infrequent operation) had been performed. In practice, a very small percentage of observations were excluded by these methods. The major effect of removing outliers is to improve the sample standard deviation, as shown in Fig. 9.6.2.1(b) in which four (out of 366) observations are deleted.

Figure 9.6.2.1| top | pdf |

Effects of outlier removal and subdivision based on coordination number and oxidation state. Cu—Cl: (a) all data; (b) all data without outliers [> 4σ (sample) from mean]; (c) all data for which Cu is 4-coordinate, Cu^II. $[\matrix{&d &m &\sigma &q_l &q_u &N \cr (a) &2.282 &2.255 &0.105 &2.233 &2.296 &366 \cr (b) &2.276 &2.254 &0.092 &2.232 &2.292 &362 \cr (c) &2.248 &2.246 &0.032 &2.233 &2.263 &153\cr}]$

The statistics chosen for tabulation effectively describe the distribution of bond lengths in each case. For a symmetrical, normal distribution, the mean (d) will be approximately equal to the median (m), the lower and upper quartiles ( [q_l,q_u] ) will be approximately symmetric about the median $[m-q_l\simeq q_u-m]$ , and 95% of the observations may be expected to lie within ±2σ of the mean value. For a skewed distribution, d and m may differ appreciably and [q_l] and [q_u] will be asymmetric with respect to m. When a bond-length distribution is negatively skewed, i.e. very short values are more common than very long values, then it may be due to thermal-motion effects; the distances used to prepare the table were not corrected for thermal libration.

In a number of cases, the initial bond-length distribution was clearly not unimodal as in Fig. 9.6.2.1(a). Where possible, such distributions were resolved into their unimodal components (as in Fig. 9.6.2.1c ) on chemical or structural criteria. The case illustrated in Fig. 9.6.2.1 , for Cu—Cl bonds, is one of the most spectacular examples, owing to the dramatic consequences of oxidation state and coordination number (and Jahn–Teller effects) on the structures of copper complexes.

9.6.3. Content and arrangement of table of interatomic distances

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Table 9.6.3.1 indicates how the interatomic distances covered in Table 9.6.3.3 are subdivided. Metal–ligand distances are grouped according to the ligand contact atom, which leads to ordering by atomic number of that contact atom. For a given contact atom (H, B, C, etc.), the ligands are grouped by type as listed in Table 9.6.3.1 . The class of ligand is identified numerically (e.g. alkoxides are class 5.3, alcohols class 5.23, ethers 5.24, etc.). Particular ligands are identified by a third number (e.g. methoxide is ligand 5.3.1). Finally, alternative bonding modes for a particular ligand are denoted by a fourth number [e.g. terminal alkoxides 5.3.1.1, bridging (μ₂) alkoxides 5.3.1.2]. In general, the bonding modes are arranged in the sequence $[\eta^1, \eta^2, \ldots, \eta^n]$ , $[\mu_2,\mu_3]$ , etc., where ηⁿ implies n atoms of the ligand are bonded to metal atoms, and μ_m that m metal atoms are bonded to the ligand. Thus, acetates are represented by entries headed 5.5.2.1 (η¹), 5.5.2.2 (chelating, η²) and 5.5.2.3 (bridging, μ₂). For each ligand, the metal–ligand bonds then follow a sequence of ascending atomic number of the metal. For a given metal, the first line of an entry in Table 9.6.3.3 gives statistics covering all appropriate occurrences of metal–ligand distances. Further lines give statistics for metal–ligand distances for subdivision based largely on chemical criteria (e.g. metal oxidation state or coordination number). Cases where one atom of a ligand bridges two or more metal atoms were included only when the metal atoms were all of the same type and, unless specified, only when the metal–ligand distances were symmetrical (range for distances ≤ 0.1 Å).

Table 9.6.3.1| top | pdf |
Ligand index

Contact atom	Ligand class	Ligand class identifier
Hydrogen	hydride	1.1
Hydrogen	tetrahydroborate $[({\rm BH}^{-}_{4})]$	1.2
Boron	borohydrides	2.1
	boranes/carbaboranes	2.2
	boroles, borylenes, other heteroboracycles	2.3
Carbon	carbide (C)	3.1
	carbyne/alkylidyne (CR)	3.2
	vinylidene/alkenylidene (CCR₂)	3.3
	acetylide/alkynyl (CCR)	3.4
	cyano (CN)	3.5
	isocyanides (CNR)	3.6
	carbon monoxide (CO)	3.7
	thiocarbonyl (CS)	3.8
	carbene/alkylidene (CR₂)	3.9
	vinyl/alkenyl (CRCR₂)	3.10
	aryl (C₆R₅)	3.11
	acyl [C(O)R]	3.12
	alkyl (CR₃)	3.13
	η-alkenes (C₂R₄, allenes, etc.)	3.14
	alkynes (RCCR)	3.15
	$[\eta^3]$ ligands (allyls, etc.)	3.16
	$[\eta^4]$ ligands (conjugated dienes, etc.)	3.17
	$[\eta^5]$ ligands (dienyls, etc.)	3.18
	$[\eta^6]$ ligands (arenes, etc.)	3.19
	$[\eta^7, \eta^8]$ ligands	3.20
	carbaboranes, boroles	3.21
	miscellaneous (CO₂, CS₂, etc.)	3.22
Nitrogen	nitride (N)	4.1
	nitrene/imide (NR)	4.2
	methyleneamido (N=CR₂)	4.3
	nitriles (NCR)	4.4
	isocyanate, isothiocyanate (NCO, NCS)	4.5
	dinitrogen (N₂)	4.6
	diazonium (N₂R), diazoalkanes (N₂CR₂)	4.7
	azide (N₃)	4.8
	nitrosyl, thionitrosyl (NO, NS)	4.9
	amide (NR₂)	4.10
	amidinate [RNC(R)NR]	4.11
	Schiff bases	4.12
	phthalocyanines, porphyrins, pyrroles	4.13
	pyrazolate, imidazolate and derivatives	4.14
	pyridine, polypyridyls (bpy, o-phen)	4.15
	pyrazines, pyridazines, pyrimidines	4.16
	other N₂ ligands (NRNR₂, NNR₂, NRNR)	4.17
	triazenido (RNNNR)	4.18
	hydrazones and related species (NR₂N=CR)	4.19
	oximes	4.20
	N-nitrite (NO₂)	4.21
	amine (NR₃)	4.22
	borazines	4.23
Oxygen	oxo (O)	5.1
	hydroxy (OH)	5.2
	alkoxy, aryloxy, etc. (OR)	5.3
	O-ketones (OCR₂), urea	5.4
	carboxylates (O₂CR)	5.5
	oxalate (O₂CCO₂)	5.6
	acetylacetonates [RC(O)CRC(O)CR]	5.7
	α,β-diones (e.g. o-quinones)	5.8
	carbonate $[({\rm CO}^{2-}_3)]$	5.9
	N-oxides (e.g. pyridine N-oxide)	5.10
	nitrate $[({\rm NO}^-_3)]$	5.11
	O-nitrite $[({\rm NO}^-_2)]$	5.12
	dioxygen, peroxides	5.13
	phosphine oxides (OPR₃)	5.14
	phosphate $[({\rm PO}^{3-}_4)]$	5.15
	other P—O anions	5.16
	O-dialkyl sulfoxides (OSR₂)	5.17
	sulfate $[({\rm SO}^{2-}_4)]$	5.18
	other S—O anions (sulfonates, etc.)	5.19
	O-SO₂	5.20
	other oxyanions (e.g. $[{\rm ClO}^-_4]$ )	5.21
	aqua	5.22
	alcohols (ROH)	5.23
	ethers (ROR′)	5.24
	miscellaneous ( $[\eta^2]$ -acyl, $[\eta^2]$ -CO₂, μ-NCO)	5.25
Fluorine	fluoride (F)	6.1
Fluorine	fluoroanions ( $[{\rm BF}^-_4]$ , $[{\rm PF}^-_6]$ )	6.2
Silicon	miscellaneous	7.1
Phosphorus	phosphorus (P)	8.1
	phosphinidenes (PR)	8.2
	phosphides (PR₂)	8.3
	oligo-phosphorus ligands (P₃, PR₂PR₂, PRPR, etc.)	8.4
	phosphines (PR₃)	8.5
	diphosphines (e.g. diphos)	8.6
	phosphites [P(OR)₃]	8.7
	aminophosphines, cyclotriphosphazenyl, misc. P—N ligands	8.8
Sulfur	sulfides (S)	9.1
	thiolates (SR)	9.2
	S-thiocyanate (SCN)	9.3
	thioketones, thiourea (S=CR₂)	9.4
	thiocarboxylates (S₂CR⁻)	9.5
	thiocarbamates $[({\rm S}_2{\rm CN}R^-_2)]$	9.6
	xanthates (S₂COR⁻), dithiocarbonates	9.7
	trithiocarbonate $[({\rm CS}^{2-}_3)]$ , thioxanthates	9.8
	α,β-dithiones	9.9
	phosphine sulfides	9.10
	dithiophosphinates $[({\rm S}_2{\rm P}R^-_2)]$	9.11
	polysulfur ligands (S₂, SSR, etc.)	9.12
	thioethers (SR₂)	9.13
	S-SO₂, S-SO₃, etc.	9.14
	disulfides (RSSR)	9.15
	S-dialkyl sulfoxides (R₂SO)	9.16
	miscellaneous ( $[\eta^2]$ -CS₂)	9.17
Chlorine	chloride (Cl)	10.1
Arsenic	arsines (AsR₃)	11.1
Arsenic	miscellaneous	11.2
Selenium	miscellaneous	12.1
Bromine	bromide (Br)	13.1
Tellurium	miscellaneous	14.1
Iodine	iodide (I)	15.1

Figure 9.6.3.1| top | pdf |

Diagrams of ligands in Table 9.6.3.3 , showing table entry number and ligand atom labelling.

In many instances, the number of structures having inter-atomic distances involving a given metal for a particular ligand is too small (< 4) for statistics to be quoted. In these cases, individual structures, and the distances in them, are given. These structures are identified by their CSD reference code (e.g. BOZMIN); short-form literature references, ordered alphabetically by reference code, are in Appendix 9.6.2 .

Each line of Table 9.6.3.3 contains nine columns of which six record the statistics of the bond-length distribution described above. The content of the remaining three columns: Bond, Substructure, and Note, are described below.

9.6.3.1. The `Bond' column

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This specifies the atom pair to which the line refers. Therefore, in the case of triethylphosphine complexes (section 8.5.2), there are 18 lines, in which the bond column contains P—C, followed by 17 entries for Ti—P through to Au—P, indicating statistics for both intraligand and metal–ligand atom pairs.

9.6.3.2. Definition of `Substructure'

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This column provides details of any subdivision of particular metal–ligand bonds that has been applied. Thus, for terminal iron–chlorine bonds (in section 10.1.1.1), the second and third lines of the Fe—Cl entry refer to complexes in which the iron atom is four-coordinate and in oxidation state II and III, respectively. In some cases, subdivision has been carried out on the basis of ligand substituents in those cases where a well defined subdistribution was observed. For clarity, in a number of cases the ligand structure and numbering scheme are illustrated in Fig. 9.6.3.1 . The reader will be aware that formal oxidation state is not always well defined, where no assignment was possible then this is indicated by (−) rather than the roman numeral used elsewhere. Finally, cases where the ligand oxidation state is variable are identified (e.g. for O₂, o-quinones etc.) by references to the footnotes at the end of Table 9.6.3.3 .

9.6.3.3. Use of the `Note' column

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The `Note' column refers to the footnotes collected in Appendix 9.6.1 . These record additional information as follows: (a) notable features of the distribution of distances, e.g. likely bias due to dominance by one structure of substructure, skewness, bimodality (subdivisions of the entry usually follow, which remove these features whenever possible); (b) further details of the chemical substructure, such as the exclusion of structures with particular trans ligands; (c) details of exclusion criteria used for a given entry or group of entries, such as the constraint that the two M—Cl distances, in bridging (μ₂) chloride complexes, differ by < 0.1 Å (section 10.1.1.2); (d) references to previously published surveys of crystallographic results relevant to the entry in question. We do not claim that these entries are in any way comprehensive and we would be grateful to authors for notification (to AGO) of any omissions. This will serve to improve the content of any future version of Table 9.6.3.3 .

9.6.3.4. Locating an entry in Table 9.6.3.3

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Table 9.6.3.2 provides a `guide' to the contents of Table 9.6.3.3 . The number of entries for which individual examples of M—ligand distances are quoted, and the number of entries for which statistics are given in Table 9.6.3.3 are listed for each metal. Inspection of Table 9.6.3.2 shows which element pairs have no bond lengths recorded in Table 9.6.3.3 . Thus, while there are no cobalt–fluorine distances in Table 9.6.3.3 , there are 6 classes of cobalt–phosphorus distances for which there are examples quoted and 10 for which statistics are given.

Table 9.6.3.2| top | pdf |
Numbers of entries in Table 9.6.3.3

Numbers of entries for which < 4 examples are known are given first, followed by numbers of entries for which statistics are quoted (i.e. those with > 4 examples).

	Ligand atoms
	H	B	C	N	O	F	Si	P	S	Cl	As	Se	Br	Te	I
Ligand class	5	4	66	71	79	4	1	32	49	3	2	1	3	1	3
Metal^†^‡
Sc¹		1, 0	0, 1		0, 4
Ti^2,3		2, 0	6, 8	14, 5	4, 15	1, 0		1, 2	4, 3	1, 2	1, 0		1, 0
V^4,5,6		2, 0	8, 8	6, 5	10, 10	0, 1		3, 3	2, 6	0, 2	1, 0				1, 0
Cr⁷	1, 0	1, 2	9, 15	12, 13	5, 19	0, 1		9, 5	1, 7	1, 1	0, 2	1, 0	2, 0	1, 0	1, 0
Mn		0, 3	15, 12	14, 13	14, 10	1, 0	1, 0	5, 6	7, 4	0, 2	0, 2	1, 0	1, 1	0, 1	1, 1
Fe	0, 2	1, 2	10, 33	13, 19	14, 12		0, 1	6, 13	7, 16	0, 2	0, 2	0, 1	2, 0	0, 1	1, 1
Co⁸	2, 0	0, 4	11, 27	5, 28	18, 22			6, 10	7, 11	1, 2	0, 2		0, 1		0, 1
Ni^9,10	0, 1	2, 1	7, 20	9, 23	9, 18	1, 0		6, 8	12, 13	0, 2	1, 1	0, 1	0, 2		1, 1
Cu^11,12	1, 0	3, 0	1, 11	7, 35	18, 31	3, 0		3, 3	7, 12	0, 3	0, 1	1, 0	0, 3		0, 3
Zn	1, 0	2, 0	3, 2	7, 16	14, 10				7, 3	0, 2			0, 1		0, 1
Y¹		1, 0	0, 1		2, 6					0, 1
Zr¹³		1, 0	6, 8	10, 1	5, 7	0, 1		1, 1	4, 0	0, 2		1, 0			1, 0
Nb¹⁴			4, 6	3, 5	2, 9	0, 1		2, 0	1, 6	1, 2	0, 1
Mo^15,16	1, 1	1, 0	11, 25	17, 26	7, 28	1, 1	1, 0	5, 11	3, 20	1, 2	0, 2	1, 0	0, 2	1, 0	0, 2
Tc^17,18			0, 1	5, 5	3, 5			1, 2	1, 2	1, 1	0, 1		2, 0
Ru	0, 1	2, 1	12, 25	19, 9	11, 8		0, 1	2, 13	4, 4	0, 2	0, 2		0, 2		1, 1
Rh	2, 1	0, 2	11, 25	12, 18	11, 14		1, 0	5, 13	6, 7	0, 2	1, 1	0, 1	0, 2		0, 2
Pd		0, 1	9, 15	14, 13	6, 6			8, 7	4, 10	1, 2	1, 1		0, 1		1, 1
Ag		1, 0	4, 2	8, 6	8, 2	1, 0		2, 3	4, 6	2, 1		1, 0	1, 0		1, 2
Cd¹⁹				3, 14	12, 10			2, 0	6, 4	0, 3			1, 2		0, 1
La^§				1, 1	4, 7				1, 0	1, 0
Ce^§			0, 2	0, 1	4, 4				0, 1	1, 0
Pr^§			1, 1	1, 0	2, 5					2, 0
Nd^§				2, 2	7, 5					1, 0
Sm^§			0, 1	2, 1	8, 6
Eu^§			0, 1	0, 1	3, 6
Gd^§			0, 1	1, 0	2, 4
Tb^§					1, 0
Dy^§				2, 1	1, 2				0, 1
Ho^§					0, 1
Er^§			0, 1	1, 1	4, 4					1, 0
Tm^§									0, 1
Yb^§			0, 2	2, 2	3, 2					2, 0					1, 0
Lu^§			1, 2	1, 0	0, 1				0, 1
Hf¹³			2, 4	1, 0	2, 2			0, 2		1, 0
Ta²³	1, 0		5, 7	4, 1	4, 2			2, 2	2, 4	0, 2			1, 0
W^24,159	0, 2	1, 1	9, 20	10, 7	4, 12	1, 0	1, 0	4, 6	7, 5	1, 2	1, 0	1, 0	0, 1		1, 1
Re	0, 2	0, 1	10, 13	9, 9	11, 12	1, 0	0, 1	4, 5	4, 3	0, 2	0, 1	1, 0	0, 2		0, 2
Os	0, 2	2, 0	12, 11	9, 7	6, 6		1, 0	4, 6	3, 3	0, 2	1, 0	1, 0	1, 0		0, 1
Ir	1, 1	1, 1	11, 12	12, 4	3, 4	1, 0	1, 0	5, 9	5, 5	0, 2		1, 0	0, 2		0, 2
Pt	2, 0	0, 1	4, 25	11, 13	8, 10	1, 0	0, 1	6, 13	8, 11	0, 2	0, 1	1, 0	0, 2	1, 0	0, 2
Au²⁵		0, 1	4, 3	6, 0	4, 0			5, 3	7, 3	0, 1			0, 1		1, 0
Hg²⁶		1, 0	8, 3	10, 5	11, 2		0, 1	3, 2	2, 6	1, 2		1, 0	0, 2	0, 1	0, 2
Th^§	1, 0		1, 2	0, 3	5, 8			1, 0	0, 1	0, 1
U^§		0, 1	1, 5	7, 5	16, 18	1, 2		1, 0	1, 1	0, 2			0, 1

^†No entries for Pm, Pa, and Ac.
^‡Superscripts refer to entries in Appendix 9.6.1

.
^§See references 1, 20–23 in Appendix 9.6.1

Table 9.6.3.3| top | pdf |
Interatomic distances (Å)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
1.1.1.1 Hydrides (terminal)								27
Fe—H	all BASLIQ10	1.609	1.610	0.004	1.605	1.612	6
Zn—H	see MAEMAZ11 (1.617)
Mo—H	see HCYPMO02 (1.684)
Rh—H	see CONFEQ01 (1.578, 1.583)
Ta—H	see TACPTH (1.769, 1.774, 1.776)
W—H	all IPPHWH01	1.732	1.734	0.010	1.725	1.740	6
Re—H	(8), (-)	1.684	1.681	0.015	1.676	1.697	12
Os—H	all THMPOS01	1.659	1.656	0.017	1.646	1.677	4
Ir—H	all DETSOK	1.603	1.607	0.021	1.582	1.623	5
Pt—H	see CAKNEH01 (1.610)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
1.1.1.2 Hydrides (μ₂-H)								27
Cr—H	see KCPTCR01 (1.725, 1.723)
Fe—H	all HMYCFE01	1.670	1.670	0.001	1.669	1.672	4
Mo—H	(6, 7), (II, III)	1.842	1.843	0.023	1.819	1.864	4
Ru—H	(^‡), (-)	1.782	1.776	0.019	1.773	1.791	22
Rh—H	(4, ^‡), (I)	1.775	1.768	0.040	1.738	1.811	8
W—H	(6), (0)	1.900	1.897	0.028	1.876	1.926	5
Re—H	(8, ^‡), (I, IV)	1.832	1.832	0.039	1.793	1.870	16
Os—H	(^‡), (-)	1.817	1.824	0.029	1.798	1.837	34
Ir—H	see CUSGAY (1.821, 1.847)
Pt—H	see CAKNEH01 (range 1.656–2.049)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
1.1.1.3 Hydrides (μ₃-H)								27
Co—H	see HMPCIC01 (1.728, 1.731, 1.742)
Ni—H	all TCPNIH11	1.691	1.684	0.022	1.673	1.715	9
Rh—H	see HMPCRH11 (1.847, 1.855, 1.873)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
1.2.1.1 BH₄ [M—(μ₂-H)—B]								28
Cu—H	see TMPCUB01 (1.698)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
1.2.1.2 BH₄ [M—(μ₂-H)₂—BH₂]
Co—H	see BEGBIY01 (1.707, 1.740)
Th—H	see MCHFHB10 (2.069, 2.120)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
2.1.1 Borohydrides [M(—H—)BH₂R]								28
Sc—B	see BOVCAQ (2.528)
Ti—B	see CPCLBT (2.178)
Cr—B	see BOSKUP (2.294)
Co—B	(-), (I): (η²-BH₄, μ₂-η¹, η^1′-BH₄)	2.218	2.224	0.030	2.199	2.241	6
Ni—B	see YBAENI (3.088)
Cu—B	see BOLJAN (2.441), CICFID (2.204, 2.232), PHRLCU (2.079), TMPCUB01 (2.517)
Zn—B	see CAPFOO (2.219), NBCZNB10 (2.252, 2.253)
Y—B	see BUWBAW (2.478, 2.836), HBTHFY (2.574, 2.680)
Zr—B	see CANFAY (2.335)
Mo—B	see HBMPMO (2.468)
Ru—B	see CIZBOC (2.237)
Os—B	see COCKOU (2.300)
U—B	(-), (III, IV): all	2.569	2.510	0.136	2.494	2.644	16
	(-), (IV): [(μ-H)₃BR]	2.493	2.498	0.040	2.459	2.515	11

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
2.2.1 Boranes/carbaboranes (not H-bridged) (see also 3.21.1)								29
Ti—B	see CEXTII (2.355, 2.375, 2.383)
V—B	see BUPLAZ10 (2.246, 2.322, 2.333)
Cr—B		2.228	2.252	0.054	2.178	2.266	9
Mn—B		2.255	2.231	0.058	2.213	2.306	9
Fe—B		2.140	2.135	0.066	2.103	2.179	111
Co—B		2.086	2.082	0.073	2.036	2.124	270
Ni—B		2.106	2.108	0.049	2.071	2.142	41
Cu—B	see BOTPCU (2.209, 2.237), TPCUBF (2.273)
Ru—B	:all	2.263	2.234	0.167	2.041	2.377	16	30
	:short < 2.10	2.035	2.033	0.012	2.026	2.046	5
	:long > 2.25	2.367	2.355	0.067	2.318	2.399	11
Rh—B		2.224	2.219	0.061	2.188	2.252	55
Pd—B		2.237	2.244	0.041	2.197	2.260	10
Ag—B	see TPACUB (2.352, 2.420, 2.522)
W—B		2.403	2.393	0.036	2.381	2.416	7
Re—B		2.292	2.287	0.056	2.239	2.349	6
Os—B	see BUVROZ (2.147, 2.184, 2.283)
Ir—B		2.236	2.205	0.083	2.183	2.287	29
Pt—B		2.243	2.244	0.062	2.213	2.283	94
Au—B		2.238	2.228	0.034	2.206	2.256	11
Hg—B	see COBHGA (2.201, 2.286), TPMCDB10 (2.204, 2.498, 2.521)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
2.2.2 Boranes/carbaboranes [M(—H—)B] (hydrogen located)								29
Mn—B		2.228	2.222	0.025	2.208	2.254	4
Fe—B	see TPCUBF (2.115)
Co—B		2.100	2.086	0.032	2.079	2.125	15
Cu—B	see TPCUBF (2.164)
Zn—B	see CEXSAZ (2.264, 2.274)
Ru—B	see COKTIF (2.327, 2.462)
Rh—B		2.342	2.330	0.040	2.311	2.384	4
W—B	see COVROU (2.413)
Ir—B	see BELJEH (2.290, 2.281), CTPIRB (2.250), TPICBO (2.452, 2.480)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
2.3.1 Boracycles (see also 3.21.2 and 4.23.1)								31–33
V—B	see BOKXEE (2.369)
Cr—B	excluding BRNOCR (2.566)	2.340	2.349	0.026	2.312	2.360	7
Mn—B		2.291	2.282	0.047	2.252	2.299	7
Fe—B		2.227	2.185	0.097	2.163	2.279	13
Co—B		2.123	2.097	0.076	2.073	2.189	12
Ni—B	see CIDBOG (2.411), CPBORN (2.175), FMBCNI (2.260), SIBONI (2.226), VIBONI (2.500, 2.550)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.1.1.1 Carbide (μ₄-C)								34, 35
Hg—C	see FAHGME (2.042)

Bond	d	m	σ	q_l	q_u	n	Note^†
3.1.1.2 Carbide (μ₅-C)							34, 35
Ru—C	2.049	2.043	0.057	2.004	2.084	40
Os—C	2.060	2.056	0.059	2.004	2.108	35

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.1.1.3 Carbide (μ₆-C)								34, 35
Ru—C		2.060	2.063	0.023	2.040	2.076	60
Rh—C	see CBACRC (2.122, 2.132, 2.125)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.2.1.1 Carbyne/alkylidyne (terminal CR, R = any C)								36, 37
C—C		1.468	1.475	0.031	1.436	1.495	18
Cr—C	(6), (-)	1.702	1.710	0.029	1.679	1.720	5	38
Mo—C	see BENFEF (1.799)
Ta—C	see BESPIY (1.850), TABYCP10 (1.849)
W—C	(5, 6), (IV, VI)	1.815	1.821	0.041	1.777	1.840	9
Re—C	see CECROR (1.742)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.2.1.2 Carbynes/alkylidynes (μ₂-CR, R = any C, H)								39
C—C		1.480	1.478	0.030	1.452	1.510	4
Ru—C	see VCPRUB10 (1.933, 1.941), CIFXOE (1.936)
W—C		1.955	1.947	0.021	1.940	1.973	6

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
3.2.1.3 Carbynes/alkylidynes (μ₃-CR, R = any C, H)
C—C		1.510	1.505	0.025	1.494	1.526	21
Fe—C		1.928	1.933	0.024	1.910	1.939	15
Co—C		1.896	1.895	0.035	1.874	1.920	27
Mo—C		2.059	2.056	0.019	2.042	2.075	11
Ru—C		2.084	2.089	0.027	2.067	2.102	6
Rh—C	all R = H	1.964	1.970	0.020	1.945	1.980	7
Os—C	all COTPOQ01	2.101	2.102	0.004	2.097	2.105	6

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
3.2.2.1 Amino carbynes (terminal CNR₂)
(M)C—N		1.322	1.334	0.053	1.271	1.368	5
N—C		1.469	1.470	0.027	1.441	1.485	8
Cr—C	see BAMCOH (1.750), SNCOCR (1.743)
Mo—C	see BITKIY (1.797)
W—C	see CAVREW (1.776, 1.747)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.2.3.1 Thiocarbynes (terminal CSR)
C—S	(1.712, 1.713)
Mo—C	see CAWSAU (1.801)
W—C	see TPCPTW (1.810)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.3.1.1 Vinylidenes/alkenylidenes (terminal CCR₂)								40
C=C		1.318	1.312	0.032	1.295	1.329	7
Fe—C	see COPMID (1.780, 1.799)
Mo—C	see BUJFIV (1.918), CVMOMP10 (1.833)
Ru—C	see BOJJUF (1.845)
Rh—C	see CAYMAQ (1.820)
W—C	see CEFVUE (1.983)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
3.3.1.2 Vinylidenes/alkenylidenes (μ₂-CCR₂)
C=C		1.317	1.315	0.023	1.305	1.326	7
Mn—C	see EYCCMN (1.971, 1.978)
Fe—C	see CHPECI (1.969, 1.955)
Co—C		1.885	1.885	0.021	1.864	1.904	4
Ru—C	see VCPRUA10 (2.025, 2.034)
Rh—C	see BECVOU (1.987, 1.989)
Os—C	see BEXJUJ (2.096, 2.102)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.4.1.1 Acetylides/alkynyls (terminal CCR)
C≡C		1.188	1.188	0.017	1.178	1.202	16
C—C		1.456	1.451	0.030	1.436	1.465	16
V—C	see CIJLUC (2.074)
Fe—C	see CPFPEY (1.920)
Rh—C	see BIMTEW (1.939)
Pd—C	see EYPIPD (1.953)
W—C	see BONSUS (2.134)
Ir—C	see CEFPEI (2.041)
Pt—C	(4, 6), (II, IV)	1.992	2.000	0.032	1.985	2.009	8	41
Hg—C	see PEYHGP (2.047, 2.031)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.4.1.2 Acetylides/alkynyls (μ₂-CCR)^§								42
C—C		1.231	1.232	0.026	1.206	1.256	4
Fe—Cσ	see ACYPCI (1.890)
—Cπ	(2.117, 2.283)
Ru—Cσ	see BAYCOS (2.047), BOBTOB (2.044)
—Cπ	see BAYCOS (2.323, 2.423); BOBTOB (2.285, 2.508)
Pt—Cσ	see MSIPEP (1.964)
—Cπ	see MSIPEP (2.141, 2.468)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.5.1.1 Cyano (terminal CN)								43
C—N		1.146	1.146	0.014	1.138	1.154	168
V—C	see CIRSAX (2.067), CIRSEB (2.088)
Cr—C	(6), (-): all	2.058	2.063	0.024	2.031	2.080	8	7
Mn—C	see CAZJAO10 (1.996, 1.989)
Fe—C	(5, 6), (0, II, III): all	1.937	1.935	0.023	1.923	1.950	33
Co—C	(5, 6), (-): all	1.896	1.900	0.019	1.883	1.907	50	8
Ni—C	(4, 5), (-): all	1.883	1.868	0.076	1.852	1.873	30
	excluding 2 > 2.1	1.864	1.868	0.021	1.851	1.872	28
Cu—C	(3, 5), (-): all	2.003	1.975	0.101	1.924	2.098	5	12
Zn—C	(4), (-): all	2.000	1.997	0.012	1.991	2.013	4
Mo—C	(6, 7, 8), (-): all	2.167	2.166	0.021	2.155	2.184	21	15, 44
Ru—C	see BEPJIP (2.025)
Pd—C	see BEJHUT (1.997)
Ag—C	see COLSEB (2.093)
Pt—C	(4, 5), (II): all	1.943	1.931	0.031	1.916	1.977	5
Au—C	see CIGCOK (2.003)
Hg—C	see BINRAR (2.187, 2.174), CAHRUY (2.100)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.5.1.2 Cyano (μ₂-CN)^§ (see also 4.4.2)
C—N		1.143	1.147	0.016	1.132	1.153	21
Cr—C	see CYCRTF (1.999, 1.972, 1.965)
Mn—C	see CAZJAO10 (1.995)
Fe—C	(6), (III)	1.948	1.942	0.025	1.928	1.972	6
Ni—C	(4), (II)	1.859	1.853	0.017	1.847	1.877	4
Cu—C	(4), (I)	1.951	1.965	0.030	1.914	1.974	6	12
Pd—C	see BUSRIQ (2.011)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.6.1.1 Isocyanides (terminal CNR, R = any C)								45, 46
C—N		1.149	1.147	0.016	1.139	1.157	220
V—C	see CIRSAX (2.003), CLBCNV (2.189)
Cr—C	(6, 7), (0–III): R = Ph, ^tBu, Bz	1.996	2.003	0.038	1.969	2.014	21	7
Mn—C	(6), (-): R = Ph, ^tBu, Me	1.927	1.924	0.028	1.900	1.947	15
Fe—C	(5, 6, ^‡), (0–II): all	1.862	1.867	0.048	1.819	1.901	12
	(6), (II): all	1.874	1.874	0.043	1.832	1.901	7
Co—C	see BISJOC (1.851, 1.846, 1.866)
Ni—C	(3, 4), (0): R = ^tBu	1.853	1.854	0.021	1.838	1.870	6
Cu—C	(3, 4), (I): R = ^tBu, p-Tol, cyh	1.896	1.895	0.009	1.890	1.905	7
Nb—C	(7, 8), (-): R = ^tBu	2.241	2.237	0.036	2.208	2.270	6
Mo—C	(5–8), (0–IV)	2.107	2.115	0.040	2.089	2.135	61	15
	(5–8), (II)	2.111	2.115	0.032	2.094	2.131	56
	(5–7), (II): R = ^tBu	2.108	2.115	0.030	2.089	2.125	36
Ru—C	(6, ^‡), (-)	1.986	1.997	0.040	1.941	2.014	7
Rh—C	(4–6), (-)	1.968	1.969	0.036	1.955	1.983	21
	(4), (-)	1.956	1.962	0.031	1.947	1.975	13
Pd—C	(3–5), (-)	1.985	1.974	0.036	1.958	2.020	18	47
	(4), (-)	1.978	1.972	0.035	1.955	1.994	15
Ag—C	see BUXGAC (2.162, 2.136)
Pr—C	see CXINPR10 (2.654)
W—C	(7), (II): R = ^tBu	2.102	2.105	0.035	2.070	2.125	11
Re—C	(6, 7), (I–II)	2.002	2.008	0.022	1.980	2.018	12
Os—C	see CIRJAO (1.983, 2.004), HOSTBC10 (2.032)
Ir—C	see MCPEIR (1.945), MICPIR10 (1.986)
Pt—C	(4, 5, ^‡), (-)	1.936	1.924	0.059	1.896	1.968	13
	(4, 5), (-)	1.944	1.966	0.036	1.912	1.968	7

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
3.6.1.2 Isocyanides (μ₂-CNR)
C—N		1.221	1.227	0.038	1.196	1.241	15
Fe—C		1.941	1.941	0.025	1.920	1.948	12
Ni—C	all MINCNI	1.881	1.880	0.022	1.861	1.903	4
Os—C	see HYBIOS (2.072, 2.039)
Pt—C	all BIDCAS	2.100	2.086	0.070	2.038	2.170	12

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.7.1.1 Carbon monoxide (terminal CO)								48
C—O		1.145	1.143	0.020	1.132	1.156	10022
Ti—C		2.003	1.997	0.030	1.980	2.030	5	49
V—C		1.946	1.946	0.037	1.924	1.974	60
Cr—C		1.866	1.867	0.037	1.835	1.895	925	38
Mn—C		1.808	1.805	0.034	1.784	1.833	789
Fe—C		1.782	1.784	0.030	1.765	1.801	2572	50
Co—C		1.780	1.781	0.034	1.758	1.801	662
Ni—C		1.771	1.776	0.029	1.750	1.794	34	51
Cu—C		1.787	1.782	0.019	1.776	1.807	18	12
Zr—C	see CCPZRA (2.187)							49
Nb—C		2.073	2.073	0.028	2.056	2.092	26
Mo—C		1.978	1.973	0.041	1.947	2.007	748	15
Tc—C		1.884	1.883	0.021	1.866	1.904	4	17
Ru—C		1.896	1.896	0.036	1.873	1.919	1453
Rh—C		1.847	1.846	0.040	1.821	1.869	238
Ta—C	see BISZIM (2.036), BUVGII (2.083), CPMPTA (2.008)
W—C		2.002	2.007	0.043	1.971	2.034	508	24
Re—C		1.936	1.933	0.050	1.898	1.978	370
Os—C		1.902	1.903	0.036	1.880	1.927	1443
Ir—C		1.870	1.876	0.042	1.839	1.898	148
Pt—C		1.853	1.854	0.056	1.821	1.878	29

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.7.1.2 Carbon monoxide (μ₂-CO)								52
C—O		1.171	1.171	0.022	1.159	1.183	279
Mn—C	(all)	1.940	1.930	0.021	1.926	1.955	8
	(M—C—M < 70°)	1.929	1.928	0.005	1.924	1.933	6
Fe—C	(all)	1.941	1.925	0.041	1.914	1.971	104
	(M—C—M < 80°)	1.985	1.995	0.037	1.953	2.018	20
	(80° < M—C—M < 86°)	1.930	1.921	0.034	1.908	1.946	80
Co—C		1.914	1.919	0.046	1.883	1.947	114
Ni—C		1.882	1.880	0.021	1.870	1.892	14
Cu—C		1.861	1.862	0.015	1.854	1.872	6
Mo—C	(all)	2.127	2.091	0.095	2.045	2.237	6
	(Mo=Mo only)	2.068	2.064	0.027	2.045	2.095	4
Ru—C	(all)	2.072	2.055	0.047	2.038	2.099	66
	(non-clusters)	2.040	2.039	0.021	2.026	2.055	20
	(clusters)	2.086	2.087	0.048	2.043	2.114	46
Rh—C	(all)	2.040	2.037	0.055	1.994	2.076	180
	(M—C—M < 85°)	2.057	2.058	0.059	2.000	2.111	106
	(85° < M—C—M < 95°)	2.018	2.029	0.037	1.984	2.046	68
	(M—C—M > 115°)	1.983	1.982	0.007	1.977	1.990	4
Pd—C	(all)	2.004	1.997	0.039	1.979	2.015	14
Re—C	(all BAWTOI)	2.073	2.072	0.009	2.063	2.080	6
Os—C		2.081	2.063	0.057	2.042	2.122	6
Ir—C		2.065	2.072	0.039	2.026	2.093	30
Pt—C		2.044	2.039	0.032	2.018	2.063	6

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.7.1.3 Carbon monoxide (μ₃-CO)								42
C—O		1.190	1.191	0.038	1.173	1.202	33
Fe—C		2.002	1.990	0.037	1.980	1.997	15
Co—C		1.950	1.949	0.032	1.937	1.962	15
Ni—C	see TCPDNI01 (1.931, 1.932)
Ru—C		2.171	2.169	0.020	2.153	2.193	8
Rh—C	see POSHRH10 (2.205, 2.155, 2.238)
Pd—C	see BUJYIO (2.190, 2.078, 2.157)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
3.8.1.1 CS (terminal)
C—S		1.563	1.570	0.030	1.536	1.587	5
Cr—C	see BUGRIE (1.778), MBZCRC (1.797), TLCSCR (1.751)
Mn—C	see ICPNMN (1.803)
Fe—C	see BEPDEF (1.662)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
3.8.1.2 CS (μ₂-CS)
C—S	(1.597, 1.606, 1.618)
Fe—C	all CPTCFF	1.886	1.889	0.007	1.878	1.891	4

Bond	Substructure (coordination number, oxidation state, comment)	Note^†
3.9.1.1 Carbene/alkylidene (terminal CH₂)		36
Re—C	see CAHZUG (1.898)
Os—C	see CAMTEP (1.924)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.9.1.2 Carbenes/alkylidenes (μ₂-CR₂, R = any C, H)								39, 53
Mn—C	see BANGIG10 (2.026), MYCCMN10 (2.018, 2.019)
Fe—C		2.006	1.990	0.045	1.974	2.052	6
Co—C		1.934	1.925	0.025	1.909	1.961	7
Ru—C		2.085	2.095	0.056	2.076	2.112	12
Rh—C		2.048	2.059	0.033	2.017	2.075	15
W—C	excluding BIJJAF (2.127, 2.436)	2.298	2.296	0.035	2.266	2.331	4
Re—C	all CEHFEA	2.141	2.132	0.030	2.119	2.171	4
Os—C	excluding CODCON (1.922, 1.909)	2.160	2.155	0.041	2.136	2.192	20
Au—C		2.112	2.102	0.026	2.095	2.139	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.9.2.1 Carbenes/alkylidenes (terminal CHR)
C—C		1.490	1.493	0.027	1.462	1.513	14
Ta—C	(5, 6, 8), (V): all	1.963	1.938	0.065	1.932	2.030	7	54, 55
W—C	(5–7), (IV, VI)	1.953	1.942	0.086	1.871	2.041	5	38, 55
Re—C	see BOBYAS (1.949), CECROR (1.873)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.9.3.1 Carbenes/alkylidenes (terminal CR₂)
C—C	[R = C (sp³)]	1.503	1.509	0.024	1.500	1.519	12
Mn—C	see CERJIS (1.853), MCBCMN (1.864, 1.871)
Fe—C	see CPCFEA10 (1.978)
W—C	see DPCBWC (2.132, 2.154)							38, 55
Ir—C	see PYBPIR (1.998)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.9.4.1	Alkoxy carbenes [terminal CR(OR), R = any C]
(M)C—O		1.318	1.314	0.023	1.300	1.338	18
(M)C—C		1.501	1.503	0.032	1.479	1.524	18
O—C		1.466	1.459	0.024	1.452	1.484	18
Cr—C	(6), (-)	2.012	2.006	0.029	1.988	2.039	5	38, 55
Mn—C	see BOCWAR (1.848), MNXCMN (1.890), NPMCMN (1.950)							55
Co—C	see PGECBC (1.912)
Mo—C	see BEBTUX (2.087)
W—C	(6), (-)	2.161	2.161	0.014	2.148	2.175	4
Re—C	see CMNCBR (2.098)
Os—C	see BODGUW10 (1.981)
Pt—C	see CIPTMN (1.889), EOBCPT10 (1.920)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.10.1.1 Vinyls (σ-CRCR₂)^§								41
C=C		1.345	1.344	0.024	1.333	1.357	98
Ti—C	(8), (IV)	2.215	2.239	0.042	2.171	2.243	7
Cr—C	all MPEYCR10	2.035	2.033	0.009	2.027	2.045	4
Mn—C	see BIZJEZ (1.985), CECCIW (2.009), MASBCM (2.027)
Fe—C	(5, 6), (II)	1.991	1.997	0.039	1.954	2.030	10
Co—C	(6), (-)	1.934	1.932	0.019	1.914	1.946	8
Ni—C	(4, 5), (-)	1.892	1.900	0.017	1.874	1.903	4
Zr—C	see CPPHZR (2.249, 2.265)
Mo—C	(7), (-)	2.204	2.223	0.049	2.151	2.247	5
Ru—C	see CNBRUB (2.073), CXFMPR (2.082), PCFMRU10 (2.034)
Rh—C		2.040	2.060	0.054	1.986	2.085	5
Pd—C	(4), (II)	2.000	2.006	0.024	1.989	2.011	16	47
Hf—C	see CPTPHF (2.190, 2.219)
W—C	see BEDGAS (2.202), COPMEZ (2.275), MCTCEW (2.194)
Os—C	see CIRNOG (2.052)
Ir—C	(5, 6), (-)	2.071	2.073	0.044	2.036	2.103	6
Pt—C	(4,5), (-)	2.024	2.022	0.037	1.991	2.058	17	41
Au—C	see BULPED (2.039, 2.045)

Bond	d	m	σ	q_l	q_u	n
3.10.1.2 Vinyls (η²-CRCR₂)^§
C_α—C_β	1.408	1.407	0.013	1.418	1.442	8
Mo—C_α	1.936	1.937	0.020	1.917	1.954	4
—C_β	2.292	2.293	0.027	2.265	2.316	4
W—C_α	1.918	1.907	0.030	1.898	1.949	4
—C_β	2.251	2.249	0.078	2.181	2.324	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.10.1.3 Vinyls (μ₂-η¹, η²-CRCR₂)^§								39
C_α—C_β		1.408	1.407	0.022	1.395	1.421	43
Mn¹—C_α	see BOWYOB (2.058, 2.053)
Mn²—C_α	see BOWYOB (2.086, 2.102)
—C_β	see BOWYOB (2.263, 2.263)
Fe^l—C_α		1.996	2.004	0.036	2.000	2.009	8
Fe²—C_α		2.102	2.095	0.039	2.079	2.111	8
Fe²—C_β		2.219	2.197	0.046	2.183	2.260	8
Co¹—C_α	see BOCCOC (1.973, 1.968), BULYOW (1.981)
Co²—C_α	see BOCCOC (2.009, 2.011), BULYOW (1.995)
—C_β	see BOCCOC (2.132, 2.115), BULYOW (2.127)
Mo¹—C_α	see BEDDAP (2.151, 2.140), CAMKIK (2.141)
Mo²—C_α	see BEDDAP (2.181, 2.181), CAMKIK (2.232)
—C_β	see BEDDAP (2.301, 2.301), CAMKIK (2.446)
Ru¹—C_α		2.079	2.075	0.043	2.060	2.089	13
Ru²—C_α		2.221	2.227	0.057	2.191	2.260	13
—C_β		2.276	2.276	0.042	2.247	2.284	13
Rh¹—C_α	see BATNIT (2.045), FMPENR (2.025, 2.028)
Rh²—C_α	see BATNIT (2.100), FMPENR (2.058, 2.102)
—C_β	see BATNIT (2.222), FMPENR (2.139, 2.205)
W¹—C_α	(6, 7), (0, II, IV): all	2.158	2.145	0.043	2.128	2.203	6
W²—C_α	(6), (IV): excluding 2.266, 2.124	2.412	2.412	0.034	2.380	2.445	4
—C_β	(6), (II, IV): excluding 1 at 2.220	2.458	2.470	0.047	2.410	2.500	5
Re¹—C_α	see COTFAS (2.170, 2.098)
Re²—C_α	see COTFAS (2.359, 2.255)
—C_β	see COTFAS (2.352, 2.307)
Os²—¹C_α	see CHVINO (2.108), HPETOS (2.154), UCHXOS (2.170)
Os²—C_α	see CHVINO (2.273), HPETOS (2.151), UCHXOS (2.188)
—C_β	see CHVINO (2.362), HPETOS (2.300), UCHXOS (2.311)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.11.1.1 σ-Aryls (η¹-Ar)^§
C^l—C²		1.396	1.396	0.021	1.381	1.409	398
C²—C³		1.393	1.392	0.022	1.379	1.406	398
C³—C⁴		1.378	1.379	0.025	1.364	1.395	399
Ti—C	see PFPBTI (2.135), PSIBTI (2.161)
V—C	(4, 6), (II, III)	2.114	2.115	0.012	2.102	2.124	4
Cr—C	(5, 6), (II, III)	2.075	2.072	0.019	2.061	2.089	10	38
Mn—C	(6), (I)	2.064	2.059	0.021	2.044	2.083	6
Fe—C	(4, 6), (I, II)	2.031	2.022	0.062	1.985	2.065	6
	(6), (I, II)	2.008	2.021	0.021	1.974	2.030	5
Co—C	see DMDECO01 (1.995), ETPSCO10 (1.997), TOPFCO10 (1.931)
Ni—C	(4, 5), (II, III)	1.917	1.929	0.038	1.893	1.942	18
Cu—C	see CODJIO (2.020)
Mo—C	(4, 5, 7), (0, II, IV): all	2.193	2.176	0.054	2.164	2.195	11	38
	(4, 5), (II, IV)	2.172	2.169	0.016	2.160	2.187	9
Ru—C	(5, 6), (II)	2.092	2.121	0.057	2.013	2.136	7
Rh—C	(5, 6), (II, III)	2.011	2.000	0.026	1.990	2.037	9
Pd—C	(4, ^‡), (II): all	1.981	1.987	0.032	1.965	2.002	28	47
Lu—C	see CILCUV (2.425, 2.427, 2.455)
Ta—C	(5), (V)	2.199	2.173	0.073	2.147	2.276	4
Re—C	see PHTPRE (2.024, 2.029)
Os—C	(6, ^‡), (-)	2.090	2.092	0.032	2.058	2.120	4
Ir—C	(4–6, ^‡), (I, III): all	2.070	2.067	0.038	2.043	2.092	17
	(6), (III)	2.053	2.049	0.024	2.037	2.071	10
Pt—C	(4–6), (I, II, IV): all	2.049	2.061	0.046	2.033	2.079	35	41
	(4), (I, II)	2.055	2.062	0.039	2.043	2.079	28
Au—C	(2–4, ^‡), (I, III): all	2.059	2.062	0.024	2.052	2.073	22
	(2, 3), (I)	2.053	2.050	0.009	2.045	2.062	5
	(4), (III)	2.062	2.068	0.031	2.055	2.081	13
Hg—C	(2–4, ^‡), (II): all	2.086	2.088	0.040	2.054	2.120	24
	(2, 3), (II)	2.053	2.057	0.027	2.040	2.075	12
	(^‡), (-): all BIPHHG	2.120	2.119	0.014	2.115	2.126	12

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
3.12.1.1 Acyls [η¹-C(O)R]^§
C=O		1.210	1.209	0.023	1.195	1.218	60
Mn—C	see PNMNCP (2.012), PYRMNC (2.076)
Fe—C	(6), (II)	1.997	2.004	0.033	1.967	2.028	18
Co—C	see BOBSUG (1.915), OXCOCP10 (2.055)
Ni—C	(4, 5), (II)	1.850	1.870	0.059	1.788	1.893	4
Mo—C	see BOLCIO10 (2.049), MABUMO10 (2.168)
Ru—C	see BEWMAR (2.091)
Rh—C	(5, 6), (III): all	1.995	1.996	0.031	1.969	2.006	10
Pd—C	(4), (II): all	1.982	1.992	0.029	1.951	2.002	4
Re—C	(6), (I)	2.190	2.183	0.027	2.175	2.214	7
Os—C	see BUYMAJ (2.161)
Ir—C	see NRBIRB (1.971), POIRID (2.067)
Pt—C	(4), (II)	1.991	2.000	0.025	1.969	2.008	7

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
3.12.1.2 Acyls [η²-C(O)R]^§ (see also 5.25.1)
C=O		1.240	1.238	0.014	1.227	1.248	10
Zr—C	see BOPSII (2.181, 2.186)
Mo—C		2.014	2.020	0.011	2.003	2.023	6
W—C	see BUSYIX (2.030), COSSOS (2.000)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.13.1.1 Methyl (terminal CH₃)
Ti—C	see BASMOX (1.969), INDMTI (2.206)
Cr—C	see CAMVER (2.168)
Mn—C	(6), (IV): all CAJHOK	2.095	2.105	0.030	2.068	2.124	4
Fe—C	see BNTLFE (2.080), CEDMON (2.065), CMZTFE (2.077)							50
Co—C	(6), (III)	2.014	2.014	0.023	1.993	2.032	16
Ni—C	see BAPKEI (2.035), PEAMNI (2.023)							56
Zr—C	IV, (4–6, 8)	2.292	2.279	0.049	2.257	2.346	8
Nb—C	see CPSNBA (2.346), CPSNBB (2.327)							54
Mo—C	(5–7), (II–IV, VI): all	2.254	2.282	0.065	2.189	2.296	15
Ru—C	(5, 6), (II)	2.179	2.156	0.045	2.143	2.226	5
Rh—C	(5, 6), (II, III)	2.092	2.101	0.027	2.064	2.113	4
Hf—C	(8), (IV)	2.275	2.267	0.049	2.233	2.325	4
Ta—C	(6, 7), (III, V)	2.217	2.215	0.035	2.181	2.247	7	54
W—C	(4–6), (II, III, VI)	2.189	2.187	0.039	2.166	2.213	13
Re—C	(5, 6), (I, III)	2.173	2.188	0.051	2.123	2.201	8
Ir—C	see BEJBEX (2.218), CODPIR10 (2.133)
Pt—C	(4–6), (II, IV): all	2.083	2.077	0.045	2.047	2.117	58	41
	(4, 5), (II)	2.107	2.115	0.044	2.069	2.136	30
	(6), (IV)	2.057	2.056	0.028	2.038	2.077	28
Au—C	(4), (III)	2.066	2.045	0.045	2.030	2.118	18	57
Hg—C	(2–4), (II)	2.072	2.071	0.026	2.056	2.092	29
Th—C	see COSZOZ (2.567)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.13.2.1 Primary alkyls [CH₂R, R = C(sp³)]
C—C		1.521	1.528	0.033	1.512	1.540	90
Ti—C	see BILWIC (2.138, 2.152), BOYZOE (2.210)
Mn—C	(4, 6), (I, II)	2.176	2.173	0.024	2.154	2.199	5
Fe—C	(6), (II)	2.091	2.082	0.030	2.071	2.102	8
Co—C	(6), (II, III)	2.039	2.037	0.032	2.018	2.061	14
Ni—C	see ACTPEN (1.970), BENIIB (1.973), DIPNIP (1.948)							56
Zn—C	see PMCZNE (1.964)
Nb—C	see CPETNB (2.316), ONBCBU (2.322)							54
Mo—C	(4–8), (II–IV, VI): all	2.250	2.252	0.061	2.208	2.272	12
	(4–8), (III, IV, VI)	2.230	2.234	0.042	2.195	2.269	10
Ru—C	(4), (III): all CIBGEZ	2.036	2.033	0.010	2.029	2.045	6
Rh—C	see CIDJEE (2.094), PBUDRI10 (2.098, 2.107)
Pd—C	see BIHLOT01 (2.051), HIMPDA (2.009, 2.023)
Ta—C	(5, 7), (V)	2.225	2.208	0.056	2.183	2.289	6	54
W—C	see COPXIO (2.141, 2.126), DMPMPW10 (2.257)
Re—C	see COMPRH (2.285), ETDYRE (2.296)
Os—C	see BOTTAF (2.220, 2.219), BUYNEO (2.203)
Pt—C	(4–6), (II, IV)	2.062	2.065	0.031	2.039	2.085	14	41
Hg—C	see CIRMAR (2.125)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.13.3.1 Primary alkyl [CH₂R, R = C(sp²)]
C—C		1.477	1.478	0.028	1.464	1.496	108
Ti—C	see CEYCOY (2.203, 2.204)
Cr—C	see BELTUH (2.101)
Mn—C	see ACPMNA (2.209), BUFLET (2.199), CABYUZ (2.127)
Fe—C	(5, 6), (0, II)	2.131	2.133	0.038	2.098	2.155	9
Co—C	(5, 6), (-)	2.061	2.085	0.061	2.001	2.109	5
Ni—C	see IPRNIP (1.977)							56
Zn—C	see CLPDZN (2.030)
Zr—C	(8), (IV)	2.320	2.306	0.034	2.298	2.355	4
Nb—C	(8), (IV, V)	2.289	2.291	0.024	2.271	2.306	14	54
Mo—C	(4–6), (II, III, VI)	2.211	2.214	0.027	2.187	2.233	9
Ru—C	see CALHIG (2.200)
Rh—C	see CIHYOH (2.103)
Pd—C	(4, 5, ^‡), (II, -)	2.050	2.044	0.042	2.019	2.071	20
Hf—C	see CEYCUE (2.274, 2.284)
Ta—C	see CBZYTA (2.304), CPBZTB (2.188, 2.233)							54
W—C	(5–8), (II, III, V): all	2.238	2.185	0.090	2.163	2.328	9
Re—C	see BUVSOA (2.203), BZHREC (2.284)
Os—C	see BUYMAJ (2.217)
Ir—C	see BIYJIC (2.127), CIYKAW (2.167), POIRID (2.133)
Pt—C	(4, 5), (II)	2.067	2.081	0.033	2.032	2.089	4	41
Hg—C	see CHGACA (2.107), DBEZHG (2.064)
Th—C	all CEKGEE	2.554	2.555	0.022	2.535	2.570	7
U—C	(6, 10), (IV)	2.509	2.521	0.039	2.468	2.539	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.13.4.1 Secondary alkyls [terminal CHR₂, R = C(sp³)]
C—C		1.532	1.534	0.033	1.510	1.554	72
Fe—C	see BULLFE (2.168), CAGKEA (2.060), MEDOFE10 (2.079)
Co—C	(6), (III)	2.086	2.090	0.028	2.058	2.111	4
Ni—C	see CONBIQ (1.929)							56
Zr—C	see CALNUY (2.381)
Ru—C	(5, 6), (II)	2.145	2.153	0.032	2.112	2.171	4
Rh—C	see HBUPRH (2.083)
Pd—C	(4, 5), (II)	2.035	2.041	0.036	2.003	2.051	9
Ir—C	(5, 6), (III)	2.107	2.107	0.035	2.074	2.141	7
Pt—C	(4, 5), (II)	2.078	2.073	0.038	2.046	2.116	4	41
Hg—C	see CHGALD (2.085)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.13.5.1 Secondary alkyls {CHR₂, R₂ ≠ [C(sp³)₂]}
C—C	R = C(sp²)	1.474	1.475	0.023	1.461	1.485	82
	R = C(sp³)	1.532	1.527	0.022	1.518	1.545	40
Ti—C	see TCYPTI10 (2.332)
Fe—C	(5, 6), (-)	2.131	2.138	0.027	2.110	2.151	16
Co—C	(6), (-)	2.075	2.086	0.029	2.052	2.093	5
Zr—C	see PDPMZR10 (2.379, 2.396)
Mo—C	see BIRLIX (2.405)
Ru—C	see BDMFRU (2.180), CTERUC (2.138)
Rh—C	see BIGHAA (2.192), CASDIJ (2.154)
Pd—C	(4, 5), (II)	2.083	2.092	0.040	2.052	2.106	11
Re—C	(6), (I)	2.311	2.335	0.065	2.243	2.356	4
Os—C	see BUYNEO (2.221), CINKAL (2.215), EYPCOS (2.185)
Ir—C	see CAYGAK (2.420)
Pt—C	(4, 5), (II)	2.113	2.120	0.036	2.082	2.141	9	41
Au—C	see BAJZAN (2.146), CEPYIF (2.175)							57
Hg—C	see BAVMUG (2.122), TPHGDI10 (2.292)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.13.6.1 Tertiary alkyls (terminal CR₃, R = any C)
C—C		1.501	1.502	0.045	1.468	1.534	84	109
Fe—C	(5, 6), (II)	2.127	2.128	0.027	2.098	2.153	6
Co—C	see COJBOS (2.154)
Zn—C	see COPLEY (2.050)
Mo—C	see CYPRMO (2.414)
Pd—C	(4), (II)	2.147	2.150	0.040	2.140	2.174	8
Pt—C	(4), (II)	2.148	2.139	0.028	2.133	2.162	9	41
Au—C	see BENNOX (2.213), BUJXAF (2.197)							57

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
3.13.7.1 Trifluoromethyl (terminal CF₃)
C—F		1.347	1.343	0.030	1.329	1.355	22
Pt—C	(4, 5), (II)	2.098	2.087	0.057	2.056	2.146	5

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.14.1 η²-Ethene (C₂H₄)
C=C		1.392	1.390	0.044	1.363	1.415	43
Co—C	(5), (I)	2.035	2.033	0.012	2.025	2.048	4
Ni—C	(3, 4), (0)	1.985	1.978	0.025	1.970	1.989	18
Cu—C	(3, 4), (I)	2.010	2.011	0.011	2.001	2.019	6	12
Nb—C	see CPETNB (2.278, 2.320)							54
Ru—C	(6), (II)	2.198	2.204	0.022	2.174	2.215	4
Rh—C	(4, 5), (I)	2.129	2.135	0.033	2.091	2.160	12
Ta—C	see NPNTAB (2.228, 2.285)							54
W—C	(5, 6), (-)	2.205	2.185	0.043	2.176	2.246	8
Ir—C	see CETPIR (2.124, 2.111)
Pt—C	(3, 4, ^‡), (0, II)	2.172	2.176	0.042	2.143	2.193	28	41, 58

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.14.2 η²-Alkenes (CH₂CHR, R = any C)								59
C=C		1.383	1.383	0.033	1.361	1.404	44
Fe—C	(5), (0)	2.090	2.088	0.012	2.079	2.102	4	58, 60
Co—C	(5), (I)	2.084	2.085	0.034	2.052	2.115	4
Ni—C	(4, 5), (II)	2.035	2.039	0.053	1.984	2.082	4	9, 58, 61
Cu—C	(3, ^‡), (I)	2.060	2.061	0.025	2.046	2.080	6	12
Mo—C	(6), (0, II)	2.282	2.271	0.027	2.265	2.310	4
Ru—C	(5, 6), (-)	2.198	2.190	0.034	2.171	2.232	4
Rh—C	(4, 6), (I, -)	2.172	2.164	0.058	2.118	2.216	10
	(4), (I)	2.150	2.141	0.040	2.117	2.194	8
Pd—C	(4, 5), (II)	2.189	2.179	0.040	2.151	2.233	12
Ag—C	(3–5), (I)	2.535	2.542	0.050	2.486	2.582	6
W—C	(6), (0): all	2.386	2.410	0.080	2.302	2.454	10	30
	: short < 2.35 (trans to C=C)	2.299	2.298	0.010	2.290	2.308	4
	: long > 2.40 (trans to CO)	2.443	2.434	0.036	2.412	2.484	6
Ir—C	see COPNIR (2.179, 2.162)
Pt—C	(4), (II)	2.179	2.173	0.051	2.139	2.205	22	41

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.14.3 η-Alkenes (CH₂CR₂, R = any C)
C=C		1.387	1.396	0.029	1.354	1.413	8
Fe—C	(5), (0)	2.124	2.119	0.065	2.072	2.188	6	60
Ru—C	see BOVLUT (2.168, 2.203)
Pd—C	see CARJOU (2.187, 2.107)
Ag—C	all CIXYAJ	2.421	2.419	0.081	2.345	2.499	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.14.4 η²-Alkenes (CHRCHR, R = any C)								62
C=C		1.391	1.389	0.032	1.372	1.407	280
V—C	see EFMCPV (2.213, 2.186)
Cr—C	see MOBOCO10 (2.248, 2.300)
Mn—C	see CPTOMN (2.193, 2.203)
Fe—C	(5, 6), (0, II): all	2.134	2.143	0.063	2.079	2.183	22
	: R electron withdrawing	2.067	2.072	0.022	2.041	2.087	8
	: R = alkyl	2.172	2.169	0.041	2.144	2.195	14
Co—C	all NBPCCO	2.138	2.137	0.005	2.134	2.144	4
Ni—C	(3–5), (0, II): all	2.057	2.054	0.050	2.000	2.095	17	9, 58, 61
	: R electron withdrawing	1.991	1.997	0.015	1.979	2.000	5
	:1,5-cod	2.084	2.089	0.028	2.052	2.107	12
Cu—C	(3, 4, ^‡), (I): all	2.079	2.079	0.033	2.063	2.089	20	12
Mo—C	(6), (0, II) : all	2.369	2.347	0.083	2.298	2.446	28
	: trans to CO	2.468	2.463	0.039	2.428	2.499	10
	: not trans to CO	2.314	2.310	0.034	2.284	2.346	18
Ru—C	: all	2.223	2.196	0.076	2.172	2.251	64	63
	: nbd, 1,5-cod only	2.191	2.187	0.036	2.167	2.206	49
Rh—C	(4–6, ^‡), (I–III): all	2.157	2.143	0.049	2.123	2.188	206
	: nbd, 1,5-cod only	2.156	2.143	0.047	2.122	2.189	184
Pd—C	(4), (II)	2.214	2.208	0.037	2.194	2.221	30
Ag—C	see BUZMUE (2.705, 2.611)
W—C	(6), (-)	2.430	2.430	0.033	2.400	2.457	6
Re—C	see BAXLER (2.275)
Os—C	: all R electron withdrawing	2.167	2.176	0.033	2.133	2.193	4
Ir—C	(4–6, ^‡), (I, III): all	2.170	2.160	0.061	2.124	2.200	94
	: 1,5-cod only	2.163	2.160	0.051	2.124	2.186	76
Pt—C	(4, 5, ^‡), (0, II): all	2.209	2.223	0.056	2.173	2.252	52	41, 58
	: 1,5-cod only	2.230	2.236	0.039	2.193	2.254	40

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.14.5 η²-Alkenes (CHRCR₂, R = any C)
C=C		1.411	1.403	0.025	1.392	1.427	12
Mo—C	see OCTCMO10 (2.211, 2.227)
Ru—C	see CXFMPR (2.171, 2.184)
Rh—C	(4, 5), (I)	2.130	2.121	0.023	2.111	2.155	14
Ir—C	all COTFEW	2.148	2.150	0.020	2.130	2.165	4
Pt—C	see COTFPT (2.059, 2.072)							41, 58

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.14.6 η²-Alkenes (CR₂CR₂, R = any C)
C=C		1.436	1.438	0.044	1.415	1.454	15
Fe—C	: all	2.144	2.085	0.127	2.048	2.269	8
	: excluding trans to CO	2.079	2.058	0.045	2.045	2.121	6
Co—C	see EXPHCO (2.084, 2.134)
Mo—C	see CPOMOA (2.231, 2.234)
Rh—C	(4, 5), (I)	2.175	2.173	0.025	2.153	2.199	4
Pd—C	(4), (II)	2.248	2.258	0.055	2.191	2.296	4
Ag—C	see BUGGAL (2.472, 2.632)
Ir—C	see IRCNIR (2.098, 2.130)
Pt—C		2.130	2.128	0.026	2.106	2.156	4	41, 58
Hg—C	see BODYEY (2.556, 2.577)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.14.7.1 η²-Allenes (R₂CCCR₂)^§
C_α=C_β	(coordinated)	1.403	1.403	0.028	1.375	1.431	5
C_β=C_γ	(free)	1.319	1.321	0.010	1.311	1.327	5
Fe—C_α	see FPCYTP10 (1.982)
—C_β	see FPCYTP10 (1.897)
Rh—C_α	see MARHAA10 (2.177, 2.178)
—C_β	see MARHAA10 (2.032, 2.027)
Pd—C_α	see ALETPD (2.118)
—C_β	see ALETPD (2.068)
Pt—C_α	see MALLPT (2.107)							41
—C_β	see MALLPT (2.049)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.15.1.1 Alkynes (η²-C₂R₂, R = any C)								64
C≡C	all	1.285	1.287	0.030	1.269	1.299	73
	2e donor	1.269	1.271	0.034	1.242	1.284	23
	3e donor	1.285	1.292	0.024	1.268	1.299	15
	4e donor	1.304	1.309	0.027	1.280	1.321	15
V—C	see CPFVLV (2.076)
Cr—C	all PHACCS	1.960	1.960	0.009	1.952	1.969	6
Mn—C	see HDYCMN (1.239)
Co—C	see ACNCOB20 (1.977, 1.981), BETCUY10 (1.847, 1.856)
Cu—C	(3), (1): R = SiMe₃, H	2.019	2.020	0.029	1.994	2.043	5	12
Nb—C	(6, 8), (III): R = Ph	2.082	2.054	0.061	2.041	2.148	8	54
Mo—C	varying electron donation (2–4e): all	2.078	2.072	0.050	2.043	2.143	40	65
	2e donor	2.129	2.131	0.031	2.099	2.148	12
	3e donor	2.071	2.066	0.033	2.053	2.082	12
	4e donor	2.027	2.035	0.028	1.997	2.049	12
Rh—C	: R = Ph, CF₃	2.041	2.045	0.015	2.030	2.051	6
Pd—C	see FMEACA10 (2.040, 2.053)
Ta—C		2.059	2.064	0.024	2.032	2.079	6	54
W—C	varying electron donation (2–4e): all	2.060	2.059	0.036	2.034	2.083	36	65
	2e donor	2.080	2.076	0.041	2.059	2.104	14
	3e donor	2.066	2.066	0.016	2.053	2.078	12
	4e donor	2.025	2.022	0.014	2.013	2.036	10
Re—C		2.043	2.042	0.022	2.029	2.063	6
Ir—C		2.083	2.083	0.041	2.044	2.122	4
Pt—C		2.025	2.029	0.016	2.020	2.037	18	41

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.15.1.2 Alkynes (μ₂-η², η^2′-C₂R₂)^§								64
C≡C		1.353	1.355	0.031	1.337	1.365	29
Co—C		1.954	1.940	0.033	1.930	1.966	47
Ni—C	all FLCPNI	1.910	1.909	0.011	1.901	1.921	4	61
Mo—C		2.171	2.178	0.050	2.137	2.199	32
Rh—C	all CFBYRH	2.054	2.056	0.029	2.026	2.081	4
Ta—C	see ACTHTA (2.217, 2.418)
W—C	all: (show twisting from C_2v → C₂)	2.122	2.099	0.102	2.050	2.214	12
	excluding CAMLAD	2.117	2.099	0.059	2.086	2.158	8

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.15.1.3 Alkynes (μ₂-η¹, η^1′-C₂R₂)^§								64
C≡C		1.315	1.316	0.024	1.301	1.340	14
Co—C	see CAHHAU (2.066)
Ru—C		2.084	2.091	0.016	2.068	2.094	4
Rh—C		2.021	2.001	0.041	1.992	2.064	6
Ir—C		2.112	2.109	0.041	2.082	2.156	8
Pt—C		2.059	2.056	0.009	2.051	2.068	5	41

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.16.1 η³-Allyls (R₂C.CR.CR₂)^§
C¹—C²		1.404	1.404	0.035	1.388	1.421	375
V—C¹	all ALCPPV	2.349	2.352	0.013	2.342	2.357	6
—C²	(2.222, 2.228, 2.245)
Cr—C¹	see CAMWOC (2.171, 2.247)
—C²	(2.193)
Mn—C¹	(6), (I)	2.223	2.227	0.018	2.205	2.233	8
—C²		2.120	2.120	0.004	2.116	2.124	4
Fe—C¹	(5, 6), (0–II)	2.155	2.155	0.044	2.135	2.181	70	60
—C²		2.068	2.070	0.033	2.048	2.092	36
Co—C¹		2.082	2.083	0.029	2.054	2.112	17
—C²		2.000	2.007	0.021	1.985	2.015	9
Ni—C¹	(4, 5), (-)	2.044	2.031	0.057	2.005	2.075	34	66
—C²		1.962	1.967	0.040	1.937	1.995	17
Zr—C¹	(7), (II)	2.472	2.469	0.028	2.444	2.498	8
—C²		2.470	2.476	0.019	2.450	2.485	4
Mo—C¹	(6, 7), (-): most (7), (II)	2.353	2.352	0.057	2.321	2.375	73
—C²		2.244	2.234	0.048	2.214	2.274	37
Ru—C¹	(5, 6), (-): most (6), (II)	2.254	2.247	0.058	2.209	2.293	27
—C²		2.168	2.174	0.041	2.130	2.197	14
Rh—C¹	(4–6), (I, III)	2.191	2.193	0.048	2.151	2.233	24
—C²		2.148	2.138	0.041	2.122	2.159	12
Pd—C¹	: most (4), (II)	2.142	2.133	0.041	2.115	2.172	62
—C²		2.118	2.116	0.034	2.100	2.143	31
W—C¹	(7), (II)	2.303	2.303	0.053	2.256	2.339	16
—C²		2.240	2.229	0.061	2.182	2.293	8
Ir—C¹	(5, 6), (I, III): all	2.212	2.188	0.048	2.175	2.268	8
—C²		2.168	2.165	0.059	2.113	2.225	4
—C¹	(5), (I)	2.174	2.176	0.006	2.167	2.179	4
—C²	(2.100, 2.152)
—C¹	(6), (III)	2.249	2.260	0.039	2.208	2.279	4
—C²	(2.241, 2.178)
Pt—C¹	(4), (II)	2.194	2.191	0.044	2.159	2.242	10	41
—C²		2.170	2.184	0.034	2.138	2.194	5
U—C¹	(7, 9), (IV)	2.670	2.663	0.038	2.640	2.701	10
—C²		2.748	2.781	0.070	2.674	2.806	5

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
3.17.1 η⁴-Cyclobutadiene (C₄H₄)
C—C		1.423	1.434	0.035	1.409	1.441	16
Fe—C		2.027	2.031	0.026	2.020	2.039	12
—centroid	(1.759, 1.757, 1.763)
Co—C		1.990	1.974	0.034	1.965	2.024	6
—centroid	(1.682, 1.748)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.17.2 η⁴-Cyclobutadienes (C₄R₄, R₄ ≠ H₄)
C—C		1.462	1.464	0.019	1.455	1.472	136
Mn—C	all BUKGET	2.107	2.109	0.019	2.088	2.124	4
—centroid	(1.837)
Fe—C	(5), (0)	2.044	2.039	0.025	2.024	2.066	12	50
—centroid	(1.760, 1.766, 1.779)
Co—C	(5), (I)	1.989	1.987	0.026	1.975	2.003	51
—centroid		1.704	1.694	0.037	1.689	1.706	13
Ni—C	(4, 5), most (II)	2.027	2.025	0.036	2.001	2.060	16	67
—centroid		1.742	1.740	0.018	1.727	1.761	4
Mo—C	(6), (0, I)	2.280	2.270	0.041	2.249	2.299	16
—centroid		2.032	2.033	0.036	1.998	2.065	4
—C	(6), (0)	2.308	2.298	0.040	2.276	2.338	8
—centroid	(2.060, 2.066)
—C	(6), (I)	2.253	2.252	0.018	2.240	2.269	8
—centroid	(1.995, 2.006)
Ru—C	(5, 6), (0, II)	2.224	2.184	0.086	2.168	2.312	8
—centroid	(2.006, 1.926)
—C	(5), (0): all COCLEL	2.261	2.256	0.116	2.159	2.368	4
—C	(6), (II): all CIMVID	2.188	2.184	0.015	2.176	2.204	4
Rh—C	(5), (I)	2.114	2.105	0.025	2.102	2.120	8
—centroid	(1.850, 1.829)
Pd—C	(4, 5), (II)	2.148	2.135	0.065	2.106	2.160	16
—centroid		1.887	1.873	0.042	1.857	1.932	4
—C	(5), (II)	2.130	2.135	0.027	2.106	2.145	12
Pt—C	all CBFPPT10	2.219	2.214	0.096	2.129	2.314	4
—centroid	(1.963)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.17.3 η⁴-1,3-Butadienes (R₂C.CR.CR.CR₂)^§								68
C¹—C²		1.420	1.420	0.021	1.409	1.433	213
C²—C²		1.405	1.404	0.023	1.392	1.416	108
Cr—C¹		2.332	2.349	0.046	2.277	2.370	6
—C²		2.147	2.134	0.043	2.110	2.200	6
Mn—C¹	(5), (0)	2.134	2.135	0.007	2.128	2.141	8
—C²		2.080	2.071	0.025	2.066	2.106	8
Fe—C¹		2.130	2.128	0.029	2.111	2.148	113	60
—C²		2.059	2.058	0.018	2.050	2.068	113
Co—C¹	(5, 6), (0, I)	2.089	2.102	0.045	2.061	2.125	12
—C²		2.015	2.003	0.033	1.994	2.018	12
—C¹	excluding 2 < 2.015	2.105	2.106	0.025	2.095	2.132	10
—C²	excluding 2 > 2.075	2.001	1.998	0.012	1.993	2.013	10
Ni—C¹	see BUJFUH (2.360, 2.106)
—C²	see BUJFUH (2.074, 2.018)
Zr—C¹	(7, 8), (-): all	2.402	2.323	0.162	2.305	2.526	14	69
—C²		2.522	2.549	0.120	2.397	2.582	14
—C¹	structures with Zr—C¹ < Zr—C²	2.314	2.311	0.021	2.298	2.326	10
—C²		2.582	2.563	0.078	2.542	2.624	10
Mo—C¹	(5–7), (-)	2.356	2.364	0.052	2.331	2.378	20
—C²		2.280	2.280	0.038	2.251	2.309	20
Ru—C¹	(5, 6), (0, II)	2.254	2.246	0.060	2.223	2.267	17
—C²		2.181	2.173	0.050	2.155	2.194	17
—C¹	excluding 2 > 2.385	2.236	2.233	0.033	2.218	2.265	15
—C²	excluding 2 > 2.29	2.165	2.169	0.025	2.155	2.180	15
Rh—C¹		2.214	2.224	0.047	2.165	2.252	4
—C²		2.177	2.198	0.043	2.134	2.199	4
Hf—C¹	(6), (0): all	2.369	2.368	0.019	2.350	2.387	8	69
—C²		2.400	2.400	0.006	2.395	2.407	8
W—C¹	see HPMXCW10 (2.453, 2.460)
—C²	see HPMXCW10 (2.335, 2.263)
Re—C¹	see BIBJEB (2.310, 2.277)
—C²	see BIBJEB (2.276, 2.258)
Os—C¹	see OXBUDC10 (2.243, 2.300)
—C²	see OXBUDC10 (2.198, 2.240)
Ir—C¹	see BUHIPI (2.277, 2.162); CBUTIR (2.186)
—C²	see BUHIPI (2.141, 2.202); CBUTIR (2.153)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.17.4 η⁴-1,5-Cyclooctadiene (1,5-cod)								62
	(see 3.14.4)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.17.5 η⁴-Norbornadiene (nbd)								62
	(see 3.14.4)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.18.1 η⁵-Cyclopentadienyl (C₅H₅)
C—C		1.397	1.398	0.028	1.380	1.415	6804
Sc—C	all TCYPSC10	2.494	2.499	0.023	2.473	2.513	10
—centroid	(2.189, 2.194)
Ti—C		2.374	2.375	0.031	2.354	2.396	832
—centroid		2.062	2.061	0.026	2.044	2.082	170
V—C		2.281	2.281	0.026	2.260	2.301	226
—centroid		1.952	1.950	0.020	1.938	1.970	46
Cr—C		2.225	2.226	0.033	2.197	2.250	295
—centroid		1.876	1.882	0.029	1.847	1.898	61
Mn—C	: all	2.166	2.149	0.094	2.127	2.164	321	30
—centroid	: all	1.824	1.786	0.132	1.775	1.798	67	30
—C	(-), (-): low spin	2.143	2.146	0.026	2.125	2.161	300
—centroid	: low spin	1.783	1.784	0.018	1.774	1.794	61
—C	: Mn^II, high spin	2.511	2.499	0.052	2.479	2.541	20
—centroid		2.237	2.229	0.051	2.196	2.262	6
Fe—C		2.080	2.088	0.035	2.052	2.106	1309	60
—centroid		1.706	1.721	0.039	1.662	1.735	265
Co—C		2.068	2.066	0.031	2.045	2.089	740
—centroid		1.696	1.692	0.029	1.676	1.716	152
Ni—C		2.116	2.113	0.033	2.093	2.138	315	70
—centroid		1.748	1.750	0.025	1.734	1.762	65
Cu—C	all TPCYCU	2.211	2.205	0.018	2.195	2.231	5
—centroid	(1.864)
Zn—C		2.348	2.332	0.080	2.299	2.440	15
—centroid		2.044	2.038	0.027	2.021	2.072	4
Y—C		2.649	2.646	0.040	2.626	2.668	75
—centroid		2.382	2.379	0.041	2.356	2.386	15
Zr—C		2.529	2.529	0.031	2.510	2.546	649	71
—centroid		2.236	2.233	0.023	2.220	2.251	132
—C	excluding BOYLUW	2.528	2.528	0.026	2.510	2.545	638
—centroid	excluding BOYLUW	2.235	2.232	0.022	2.220	2.250	131
Nb—C		2.408	2.406	0.037	2.385	2.435	353	54
—centroid		2.093	2.093	0.029	2.075	2.110	71
Mo—C		2.336	2.338	0.042	2.304	2.368	1363
—centroid		2.011	2.010	0.033	1.992	2.026	278
Ru—C		2.236	2.240	0.041	2.204	2.267	284
—centroid		1.892	1.898	0.042	1.857	1.929	58
Rh—C		2.239	2.236	0.037	2.218	2.264	256
—centroid		1.895	1.898	0.032	1.879	1.914	53
Pd—C	all BUPTEL	2.344	2.350	0.050	2.303	2.381	5
—centroid	(2.015)
Pr—C	all CXINPR10	2.778	2.765	0.026	2.760	2.801	15	1, 21
—centroid	(2.526, 2.527, 2.526)
Gd—C	all CPTHGD10	2.738	2.744	0.025	2.722	2.747	15	1, 21
—centroid	(2.472, 2.490, 2.494)
Er—C	all BOBWAQ	2.667	2.665	0.005	2.663	2.671	5	1, 21
—centroid	(2.391)
Yb—C	(8, 10), (-)	2.657	2.642	0.047	2.621	2.693	25	1, 21
—centroid		2.383	2.383	0.043	2.340	2.426	5
Lu—C	all OHCPLU	2.600	2.599	0.018	2.584	2.615	10	1, 21
—centroid	(2.309, 2.316)
Hf—C		2.505	2.507	0.020	2.494	2.520	60	71
—centroid		2.208	2.211	0.015	2.195	2.220	12
Ta—C		2.392	2.395	0.036	2.373	2.411	60	54
—centroid		2.072	2.068	0.031	2.040	2.101	12
W—C		2.337	2.337	0.042	2.307	2.364	566
—centroid		2.005	2.007	0.035	1.985	2.026	114
Re—C	(6–8), (-)	2.296	2.293	0.039	2.270	2.327	103
—centroid		1.959	1.958	0.026	1.946	1.980	21
Os—C	(6), (-)	2.235	2.233	0.032	2.220	2.262	10
—centroid	(1.916, 1.856)
Ir—C		2.263	2.273	0.030	2.244	2.281	35
—centroid		1.922	1.917	0.012	1.913	1.936	7
U—C		2.759	2.765	0.031	2.740	2.776	63
—centroid		2.493	2.491	0.015	2.483	2.506	13

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.18.2 η⁵-Pentamethylcyclopentadienyl (C₅Me₅)
C—C(ring)		1.417	1.418	0.024	1.404	1.433	1164
C—C(Me)		1.512	1.509	0.025	1.497	1.523	1239
Ti—C		2.403	2.394	0.028	2.384	2.418	61
—centroid		2.086	2.071	0.027	2.064	2.116	13
V—C		2.334	2.339	0.054	2.283	2.357	30
—centroid		2.009	2.010	0.047	1.979	2.051	6
Cr—C		2.209	2.204	0.017	2.197	2.232	10
—centroid	(1.847, 1.858)
Mn—C		2.146	2.147	0.027	2.126	2.158	25
—centroid		1.777	1.777	0.027	1.755	1.800	5
Fe—C		2.116	2.115	0.026	2.095	2.136	25
—centroid		1.739	1.730	0.026	1.715	1.766	5
Co—C		2.098	2.099	0.035	2.078	2.118	155
—centroid		1.717	1.722	0.035	1.705	1.735	31
Ni—C	all BINFUZ	2.102	2.120	0.027	2.073	2.122	5
—centroid	(1.725)
Cu—C	all BUPWOY10	2.271	2.271	0.051	2.223	2.319	5
—centroid	(1.920)
Zr—C		2.545	2.545	0.031	2.522	2.562	55
—centroid		2.244	2.244	0.023	2.232	2.253	11
Mo—C		2.365	2.364	0.047	2.328	2.407	78
—centroid		2.034	2.032	0.029	2.010	2.058	16
Ru—C	all COPKEX	2.268	2.269	0.012	2.258	2.279	5
—centroid	(1.917)
Rh—C		2.217	2.217	0.057	2.168	2.254	367
—centroid		1.856	1.870	0.060	1.795	1.908	75
Pd—C	all BUSHEC	2.341	2.351	0.073	2.280	2.397	5
—centroid	(2.003)
Sm—C	(8), (II, III): all	2.809	2.808	0.063	2.745	2.864	40	1, 30, 60
—centroid		2.537	2.535	0.067	2.472	2.601	8
—C	(8), (II): all CALCEX	2.864	2.863	0.030	2.836	2.889	20
—centroid		2.599	2.601	0.006	2.593	2.604	4
—C	(8), (III): all BUFNOF	2.754	2.747	0.031	2.727	2.786	20
—centroid		2.475	2.475	0.005	2.470	2.479	4
Eu—C	all CIFCAV	2.815	2.808	0.019	2.799	2.834	5	1, 60
—centroid	(2.550)
Yb—C	: all	2.608	2.597	0.052	2.576	2.631	127	1, 60
—centroid		2.320	2.324	0.053	2.283	2.340	27
—C	excluding BIKTIY	2.597	2.592	0.035	2.574	2.619	117
—centroid		2.308	2.303	0.033	2.283	2.335	25
Lu—C	all CIXTUY	2.710	2.731	0.090	2.623	2.780	10	1, 60
—centroid	(2.360, 2.493)
Ta—C		2.439	2.435	0.039	2.404	2.469	53	54
—centroid		2.122	2.118	0.029	2.095	2.137	11
Re—C		2.297	2.289	0.041	2.266	2.336	30
—centroid		1.956	1.976	0.034	1.913	1.979	6
Os—C	all BIJKOU	2.244	2.218	0.043	2.211	2.291	5
—centroid	(1.887)
Ir—C	(6, 7), (III, V): all	2.158	2.157	0.043	2.139	2.185	56
—centroid		1.792	1.783	0.049	1.760	1.808	12
—C	(6), (III)	2.151	2.155	0.024	2.134	2.170	46
—centroid		1.773	1.778	0.025	1.753	1.791	10
—C	(7), (V): all CECKOK	2.245	2.249	0.018	2.227	2.258	10
—centroid	(1.875, 1.893)
Th—C		2.817	2.822	0.026	2.793	2.838	15
—centroid	(2.536, 2.547, 2.573)
U—C		2.752	2.752	0.033	2.724	2.776	58
—centroid		2.479	2.484	0.022	2.460	2.493	12

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.18.3 η⁵-Indenyl (C₉H₇)^§
C^l—C²		1.407	1.410	0.028	1.400	1.421	34
C²—C³		1.444	1.449	0.020	1.428	1.458	34
C³—C^3′		1.432	1.427	0.017	1.420	1.441	17
Cr—C¹	see BABFOZ (2.176)
—C²	(2.184, 2.197)
—C³	(2.288, 2.301)
—centroid	(1.869)
Mo—C¹	(6), (-) (2.341, 2.346, 2.350)
—C²		2.341	2.354	0.065	2.278	2.392	6
—C³		2.409	2.430	0.041	2.370	2.439	6
—centroid	(2.051, 2.034, 2.025)
Rh—C¹	(5, 6), (-)	2.223	2.221	0.019	2.213	2.236	9
—C²		2.226	2.224	0.034	2.200	2.243	18
—C³		2.399	2.401	0.051	2.364	2.426	18
—centroid		1.948	1.954	0.037	1.921	1.961	9
Ce—C¹	all INDCEP (2.748, 2.757, 2.782)							60
—C²		2.805	2.794	0.043	2.766	2.849	6
—C³		2.961	2.964	0.036	2.933	2.988	6
—centroid	(2.587, 2.591, 2.606)
U—C¹	see CAFNOM (2.709)
—C²	(2.710, 2.720)
—C³	(2.769, 2.813)
—centroid	(2.455)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.18.4 η⁵-Dienyls (C₅H₇ and derivatives)^§								72, 73
C¹—C²		1.408	1.403	0.026	1.391	1.422	24
C²—C³		1.415	1.414	0.021	1.399	1.427	24
V—C¹	all COGXOL	2.179	2.180	0.017	2.162	2.195	4
—C²		2.231	2.233	0.011	2.219	2.240	4
—C³	(2.236, 2.236)
Cr—C¹	see COGXUR (2.159, 2.174)
—C²	see COGXUR (2.147, 2.177)
—C³	see COGXUR (2.166)
Mn—C¹	see OAZPMN10 (2.209, 2.298)
—C²	see OAZPMN10 (2.137, 2.143)
—C³	see OAZPMN10 (2.146)
Fe—C¹	all MEPEFE10	2.108	2.109	0.016	2.094	2.122	4
—C²		2.073	2.072	0.015	2.060	2.088	4
—C³	(2.081, 2.086)
Co—C¹	(5), (I)	2.135	2.136	0.010	2.125	2.143	4
—C²		2.078	2.075	0.015	2.066	2.094	4
—C³	(2.060, 2.087)
Zr—C¹	see HMPEZR (2.432, 2.446)
—C²	see HMPEZR (2.428, 2.438)
—C³	see HMPEZR (2.469)
Ru—C¹	(6), (II)	2.169	2.171	0.016	2.154	2.181	6
—C²		2.168	2.167	0.028	2.149	2.194	6
—C³	(2.177, 2.257, 2.258)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.19.1 η⁶-Benzene (C₆H₆)								74
C—C		1.399	1.398	0.023	1.385	1.413	105
Ti—C	all BELGOO10	2.228	2.225	0.009	2.220	2.236	12
—centroid	(1.736, 1.742)
Cr—C	(6), (0, I)	2.180	2.176	0.044	2.147	2.219	20
—centroid		1.676	1.691	0.056	1.618	1.725	5
Fe—C	all BUVLEJ	2.059	2.063	0.025	2.035	2.077	12
—centroid	(1.542, 1.548)
Co—C	see BNZCTC (2.123)
—centroid	(1.603)
Mo—C	(7), (II)	2.279	2.273	0.051	2.247	2.315	18
—centroid	(1.767, 1.805, 1.819)
Ru—C	(6), (-): all	2.187	2.168	0.042	2.154	2.227	21
—centroid		1.674	1.659	0.043	1.644	1.720	4
Re—C	(5, 6), (-)	2.217	2.214	0.034	2.186	2.249	30
—centroid		1.725	1.725	0.026	1.703	1.747	5
Os—C	(6), (-)	2.166	2.165	0.055	2.135	2.191	30
—centroid		1.657	1.635	0.057	1.620	1.705	5

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.19.2 η⁶-Arenes (C₆R₆, R = any C, H)								74
C—C	(intra-ring)	1.411	1.411	0.021	1.398	1.423	818
Ti—C	(6, 7), (0, II): all	2.330	2.247	0.125	2.240	2.479	18	30
Ti—C	(6), (0)	2.245	2.244	0.010	2.238	2.248	12
—centroid	(1.742, 1.744)
—C	(7), (II)	2.498	2.502	0.037	2.465	2.530	6
—centroid	(2.055)
V—C	all DFBENV	2.192	2.192	0.010	2.181	2.203	6
—centroid	(1.692)
Cr—C	(6), (0, I)	2.216	2.216	0.045	2.196	2.239	412
—centroid		1.710	1.718	0.046	1.699	1.733	73
Fe—C	(5, 6), (0, II)	2.101	2.097	0.036	2.078	2.114	82
—centroid		1.563	1.549	0.032	1.539	1.586	14
Co—C	(5, 6), (I, II)	2.167	2.131	0.060	2.122	2.228	13
—centroid	(1.602, 1.766, 1.628)
Ni—C	(5), (II)	2.209	2.216	0.041	2.170	2.238	10	75
—centroid	(1.713, 1.699)
Zr—C	all CLZRAL	2.590	2.592	0.030	2.558	2.619	9
—centroid	(2.164, 2.178)
Nb—C		2.404	2.457	0.096	2.283	2.479	28	30
—centroid		1.939	1.938	0.005	1.935	1.944	5
—C	long > 2.425	2.473	2.474	0.016	2.459	2.484	18
—C	short < 2.352	2.280	2.282	0.019	2.264	2.289	10
Mo—C	(6, 7), (0–III)	2.320	2.322	0.057	2.274	2.370	93
—centroid		1.841	1.838	0.061	1.794	1.904	16
Ru—C	(5, 6), (0, II)	2.247	2.235	0.051	2.212	2.264	78
—centroid		1.745	1.727	0.059	1.697	1.767	13
—C	(5, 6), (0, II): excluding BENLOV	2.238	2.230	0.040	2.210	2.258	72
—centroid		1.733	1.727	0.042	1.695	1.757	12
Rh—C	(5, 6), (-)	2.327	2.315	0.052	2.291	2.363	22
—centroid		1.845	1.864	0.051	1.793	1.878	4
Hf—C	all SNTLHF	2.481	2.493	0.041	2.433	2.519	6
—centroid	(2.041)
W—C	(6, 7), (0, II)	2.291	2.293	0.038	2.269	2.309	46
—centroid		1.803	1.805	0.043	1.768	1.821	8
Re—C	all CIZNUU	2.327	2.328	0.005	2.323	2.331	6
—centroid	(1.863)
Os—C	(4, 6), (-)	2.213	2.198	0.053	2.181	2.230	18
—centroid	(1.638, 1.718, 1.719)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
3.20.1 η⁷-Tropylium (C₇H₇) and derivatives
C—C		1.408	1.409	0.022	1.393	1.418	126
Ti—C	(7), (-)	2.228	2.236	0.020	2.204	2.242	21
—centroid	(1.484, 1.544, 1.569)
Cr—C	(7), (-)	2.220	2.210	0.043	2.189	2.241	14
—centroid	(1.445, 1.571)
Mo—C	(7), (-)	2.280	2.278	0.032	2.256	2.300	105
—centroid		1.607	1.596	0.035	1.577	1.649	15

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.20.2 η⁸-Cyclooctatetraene (C₈H₈) and derivatives
C—C		1.397	1.399	0.027	1.385	1.409	114
Ti—C	(7), (III, IV)	2.349	2.373	0.043	2.319	2.384	32
—centroid		1.471	1.490	0.063	1.409	1.524	5
—C	(7), (III)	2.368	2.378	0.027	2.338	2.388	24	30
—centroid		1.495	1.504	0.040	1.453	1.527	4
—C	short < 2.35	2.329	2.328	0.009	2.321	2.336	7
—C	long > 2.37	2.384	2.383	0.009	2.378	2.391	17
—C	(7), (IV): all CEXTII	2.291	2.293	0.023	2.270	2.311	8
—centroid	(1.377)
V—C	all BUPLAZ10	2.282	2.281	0.039	2.257	2.293	8
—centroid	(1.376)
Zr—C	(7), (II, IV)	2.461	2.459	0.017	2.449	2.474	16
—centroid	(1.685, 1.650)
Ce—C	all COCTCE	2.710	2.709	0.015	2.700	2.720	8	1
—centroid	(2.007)
Th—C	(8), (IV)	2.712	2.710	0.016	2.701	2.724	16
—centroid	(2.029, 2.003)
U—C	(8), (IV)	2.653	2.648	0.019	2.637	2.667	48
—centroid		1.917	1.919	0.005	1.913	1.921	5

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.21.1 Carbaboranes (see also 2.2.1)								29
Ti—C	see CEXTII (2.265, 2.340)
V—C	see BUPLAZ10 (2.191, 2.269)
Cr—C		2.197	2.188	0.065	2.140	2.265	6
Mn—C	see PMCMNB (2.043, 2.047)
Fe—C		2.073	2.069	0.070	2.041	2.108	62
Co—C		2.046	2.049	0.055	2.013	2.078	76
Ni—C		2.087	2.071	0.071	2.045	2.145	15
Ru—C	see RUCABO (2.097, 2.185)
Rh—C		2.239	2.237	0.065	2.187	2.287	26
Pd—C	see BICPDB (2.599), MPPDBN (2.414, 2.492)
W—C		2.420	2.431	0.044	2.374	2.455	4
Re—C	see CSCREC (2.310, 2.316)
Pt—C	(range 2.142–2.768)	2.441	2.447	0.199	2.277	2.591	12
Hg—C		2.101	2.106	0.013	2.089	2.110	5

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.21.2 Borylenes etc. (see also 2.3.1)								31–33
V—C	see BOKXEE (2.297)
Mn—C		2.197	2.188	0.037	2.167	2.234	10
Fe—C		2.118	2.098	0.050	2.086	2.150	16
Co—C		2.062	2.031	0.061	2.025	2.091	19
Ni—C	: all	2.120	2.091	0.085	2.053	2.193	9
	: excluding FMBCNI	2.080	2.076	0.036	2.044	2.144	7

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
3.22.1 η²-CO₂ (see also 5.25.2)
(None)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
3.22.2 η²-CS₂ (see also 9.17.1)
C=S	(coordinated)	1.665	1.671	0.018	1.656	1.676	6
C=S	(free)	1.613	1.616	0.006	1.607	1.618	6
V—C	see CPCDSV (2.075, 2.089)
Fe—C	see SPHFEC10 (1.983)
Co—C	see TPHCOA (1.882)
Ni—C	see COGWOK (1.858)
Nb—C	see CPSNBA (2.206)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.1.1.1 Nitride (terminal N)								76
Cr—N	see BOZYIY (1.562)
Mn—N	see ZEGGUN (1.512)
Mo—N	(5, 6), (VI)	1.636	1.636	0.006	1.630	1.641	4	77
Tc—N	see BAGWAH (1.604), CETKUH (1.629)
Re—N	(5, 6), (V): see BOCLOU (1.660), NEPPRE (1.788), NETPRE (1.602), NREDTC10 (1.656)

Bond	Substructure (coordination number, oxidation state, comment)	Note^†
4.1.1.2 Nitride (μ-N)		78
Mo—N (μ₂)	see BUPZIV (1.662, 2.150; 1.643, 2.167)
Ru—N (μ₂)	see CEPBII (1.742)
W—N (μ₂)	see CAWGAI (1.740, 2.661)
Mo—N (μ₃)	see BAXFEL (range 1.900–1.979)
Ru—N (μ₄)	see BITRAX (1.913, 1.943, 2.103, 2.114)
Rh—N (μ₆)	see BOZBOH (range 2.124–2.137)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.2.1.1 Nitrenes/imides (terminal NR, R = any C)								79
N—C		1.415	1.394	0.047	1.387	1.457	51
V—N	see CIZTEK (1.730)
Nb—N	see CAHJIE (1.783), COBLIO (1.733)
Mo—N	(5–7), (V, VI):	1.729	1.728	0.019	1.719	1.733	20
	: excluding 1 with Mo—N—C 139.4°	1.726	1.728	0.013	1.718	1.732	19
Ta—N	see BEHHIF (1.765), COBDUS (1.762)
W—N	(4–6), (V, VI)	1.738	1.739	0.026	1.725	1.754	13
Re—N	(6), (V–VII)	1.701	1.694	0.019	1.688	1.709	9
Os—N	see ADOOSA (1.697), ADOOSB (1.706, 1.720)
U—N	see CESVUR (2.063)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.2.1.2 Nitrenes/imides (μ₂-NR)
N—C	R = C(sp²)	1.392	1.395	0.021	1.374	1.409	7
	R = ^tBu	1.483	1.484	0.007	1.475	1.488	4
Ti—N	see BIJJUZ10 (1.920), BUIMWB (1.921, 1.926)
Zr—N	see TBIAZR (2.060, 2.071)
Nb—N	all BENRAN	2.043	2.042	0.011	2.033	2.053	4
Mo—N	(6), (-): excluding BUMEMO (1.819, 2.322)	1.970	1.973	0.010	1.958	1.978	6
W—N	see BUIMWA (1.841, 2.288), CACRIH (1.891, 2.312)

Bond	Substructure (coordination number, oxidation state, comment)	Note^†
4.3.1.1 Alkylideneamido (N=CR₂, linear)		80
N—C	(1.258, 1.275, 1.259)
Zr—N	see CEFSIP (2.013)
Mo—N	see BUDZEF (1.878), CPBUMO (1.892)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.4.1 Nitriles (NCR, R = any C)
N—C		1.133	1.134	0.020	1.121	1.144	102
Ti—N	see ECYFTI (2.245)
V—N	see ACNCVO (2.097), BZTCOV (2.124), COPHAV (2.107)
Fe—N	(5, 6), (II, III): all	2.029	1.976	0.153	1.928	2.161	7
	(5, 6), (II): low spin	1.946	1.966	0.041	1.905	1.977	5
Co—N	(4, 5), (0, I): all	1.971	1.951	0.068	1.920	2.041	4
Ni—N	see BCETPN (2.082), CARWAT (2.109), EFUMNI (1.873)
Cu—N	(4–6, ^‡), (I, II): all	2.121	2.005	0.249	1.968	2.321	11
	(4, ^‡), (I, II)	1.983	1.975	0.042	1.960	2.036	8
Nb—N	(6), (IV, V): all	2.322	2.303	0.083	2.254	2.414	8	81
	(6), (IV, V)	2.282	2.292	0.042	2.238	2.315	6	44
Mo—N	(5–7), (II, VI)	2.147	2.144	0.041	2.125	2.177	9	44
Tc—N	see CETKUH (2.492)
Ru—N	(5, 6, ^‡), (0, II, IV): all	2.090	2.108	0.037	2.052	2.118	5
Rh—N	(4–6), (I, II)	2.139	2.152	0.091	2.052	2.232	11	30
	(4, 5), (I)	2.050	2.052	0.006	2.045	2.056	5
	(6), (II)	2.214	2.225	0.043	2.166	2.252	6	82
Pd—N	see CAKNIL10 (2.063)
Cd—N	see CDCYAC (2.372)
Re—N	(6), (I, II): all	2.107	2.125	0.040	2.065	2.137	13
Os—N	(6, ^‡), (-): all	2.098	2.096	0.028	2.084	2.124	10
Ir—N	see BESSEX (2.054), CEYBEN (2.044), IRTCPP10 (2.024)
Pt—N	(4, 5), (I, II): all	2.003	1.982	0.048	1.978	2.036	8
	(4), (II)	1.980	1.979	0.019	1.971	1.990	6
U—N	see CIHLIO (2.604, 2.580)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.4.2 Cyano (μ₂-CN)^§ (see also 3.5.1.2)
Cr—N	see CYCRTF (1.975, 1.975, 1.994)
Mn—N	see CAZJAO10 (2.165), CAZJES10 (2.186)
Cu—N	(4–6), (II): all	2.051	2.001	0.135	1.956	2.103	11
	: excluding 2 > 2.3	1.994	1.995	0.052	1.955	2.022	9
Pd—N	see BUSRIQ (2.067)
Cd—N	(4, 6), (II)	2.361	2.352	0.042	2.327	2.403	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.5.1.1 Isocyanate (terminal NCO) (see also 5.25.3.1)								83
N—C		1.141	1.148	0.020	1.125	1.156	16
C—O		1.202	1.197	0.016	1.189	1.215	16
Ti—N	see CPTICN10 (2.007, 2.018)
Cr—N	see CPNOCC10 (1.980)
Mn—N	see CENRES (1.919, 1.934), TRENCM (2.051)
Co—N	see CNTPCP (1.949), CYZNIC10 (2.055)
Cu—N	(4–6, ^‡), (II): all	1.935	1.926	0.049	1.897	1.954	8

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.5.1.2 Isocyanate (μ₂-NCO) (see also 5.25.3.2)^§
N—C	(1.152, 1.154)
C—O	(1.182, 1.216)
Cu—N	see CNPRCV (1.946), ICNPCU10 (1.952)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.5.1.3 Isocyanate (μ₂-N,N-NCO)
N—C	(1.168)
C—O	(1.173)
Cu—N	see COVYIV (2.266, 2.023)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.5.2.1 N-Isothiocyanates (terminal NCS) (see also 9.3.1.1)								84
N—C		1.149	1.150	0.017	1.141	1.159	230
C—S		1.620	1.619	0.022	1.608	1.632	231
Ti—N	see CPITTI (2.021)
Cr—N	(6), (III): excluding CEFMAB (2.250)	1.999	1.998	0.016	1.984	2.012	12	85
Mn—N	(5–7), (II, III)	2.166	2.167	0.051	2.128	2.196	13
	(6), (II): Mn—N—C > 152°	2.141	2.146	0.027	2.107	2.167	7
Fe—N	(5–7), (II, III): all	2.063	2.095	0.084	1.982	2.133	12
	(6, 7), (high spin II)	2.108	2.106	0.031	2.088	2.139	7
Co—N	(4–6), (II, III)	2.000	1.992	0.076	1.927	2.072	42	30
	(4), (II)	1.956	1.957	0.010	1.948	1.964	8
	(5), (II)	2.034	2.028	0.050	2.004	2.064	6
	(6), (II)	2.073	2.075	0.029	2.064	2.099	15
	(6), (III): excluding ITDASC (2.117)	1.911	1.910	0.015	1.900	1.922	12
Ni—N	(4–6), (II): all	2.035	2.064	0.079	2.026	2.077	44	30
	(4)	1.855	1.835	0.046	1.827	1.886	6
	(6)	2.064	2.068	0.027	2.054	2.079	36
Cu—N	(4–6), (II): all	2.045	1.970	0.165	1.945	2.101	25	86
	(5), (II): (Cu—N—C > 152°)	2.013	1.968	0.102	1.946	2.073	21	86
Zn—N	(4–6), (II): all	1.988	1.945	0.081	1.923	2.083	8	30
	(4), (II)	1.931	1.929	0.013	1.919	1.945	5
Zr—N	see TCBPZR (2.183)
Nb—N	(6, 8), (IV, V)	2.132	2.130	0.035	2.100	2.166	4
Mo—N	(6, 7), (V, VI)	2.148	2.166	0.077	2.065	2.183	11	81, 87
Tc—N	(6), (II, III, V)	2.049	2.046	0.011	2.043	2.057	6
Pd—N	(4), (II)	2.023	2.025	0.028	2.011	2.043	9
Cd—N	(5, 6), (II)	2.245	2.241	0.047	2.212	2.259	7
Dy—N	see CIKTOF (2.433)
Re—N	(6), (III, V)	2.024	2.018	0.023	2.009	2.038	7
Pt—N	see PEYEPP (2.025)
Th—N	(8), (IV)	2.496	2.496	0.024	2.474	2.513	9
U—N	(8, 9, 11), (IV)	2.439	2.448	0.046	2.407	2.467	18

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.5.2.2 Isothiocyanates (μ₂-NCS) (see also 9.3.1.2)^§
N—C		1.144	1.149	0.020	1.129	1.160	24
C—S		1.642	1.643	0.017	1.632	1.650	24
Mn—N	see TCMNET10 (2.143)
Co—N	(6), (II)	2.111	2.118	0.020	2.091	2.128	5
Ni—N	see TCYENI10 (2.031)
Cu—N	(4, 5), (II): excluding COHHIQ (2.205)	1.962	1.951	0.031	1.939	1.999	6
Ag—N	see CENSUJ (2.281), CENTAQ (2.332)
Cd—N	(5, 6), (II)	2.287	2.294	0.019	2.267	2.300	4
Pt—N	see TPPTCP01 (1.966)
Hg—N	see TCHXPH10 (2.517), TCPPHG10 (2.405, 2.735)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.6.1.1 Dinitrogen (η¹-N₂)								88
N—N		1.100	1.110	0.048	1.074	1.124	18
Cr—N	see CAVMOB (1.957)
Fe—N	see PHSNFE (1.866)
Co—N	see CARKIP (1.814), PPHCHN10 (1.783, 1.832)
Zr—N	see MCPNZR (2.187, 2.188)
Mo—N	(6), (0, I)	2.013	1.996	0.056	1.971	2.072	4	89
Ru—N	see ENAZPU10 (1.893)
Rh—N	see HNBPRH10 (1.970)
W—N	see BUYBUS (2.038)
Re—N	see BIBJAX (1.956), BUKMID (2.055), CNMPRE (1.966)							90
Os—N	see CAJCEV (1.909)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.6.1.2 Dinitrogen (μ₂-η¹, η^1′-N₂)^§
N—N	excluding BEJGAY (1.282), IMNPTA10 (1.298)	1.155	1.155	0.020	1.137	1.174	5
Ti—N	(7), (II): all NPMCTI	2.017	2.014	0.012	2.007	2.029	4
Fe—N	see BALWUG (1.877)
Zr—N	see MCPNZR (2.087, 2.075)
Mo—N	see NMSPEM (2.042)
Ta—N	see BEJGAY (1.796), IMNPTA10 (1.837)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.7.1 Diazoniums/Diazenido (η¹-NNR)								80
N—N		1.219	1.224	0.032	1.210	1.236	14
N—C		1.428	1.427	0.024	1.414	1.438	14
Mn—N	see FTLAMN (1.696)
Mo—N	(6, 7), (0–VI): all Mo—N—N > 160°, N—N—C < 130°	1.806	1.816	0.028	1.778	1.832	8
Ru—N	see CTZPRU (1.795)
Rh—N	see CPZRHF10 (1.961)
W—N	see CPCMZW (1.850)
Os—N	see HPZPOS (1.867)
Ir—N	see PAZMPI (1.834)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.7.2 Diazoalkanes (η¹-NNCR₂)
N—N	all bent N—N—C	1.319	1.312	0.027	1.300	1.346	8
N—C		1.309	1.311	0.015	1.294	1.320	8
Mn—N	see AZMLMN (1.796)
Mo—N	see BAMTAK10 (1.759, 1.782), CIYBAN (1.797)
W—N	see AZPPBW10 (1.723), BCAZWB (1.784), CIXJIC (1.776)
Ir—N	see PCLPIR (1.825)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.8.1.1 Azido (η¹-N₃)^§								84
(M)N—N		1.180	1.183	0.020	1.175	1.193	37
N—N		1.149	1.150	0.020	1.141	1.163	37
Ti—N	see AZCPTI (2.025)
Mn—N	see MNACAZ30 (2.244)
Co—N	(5, 6), (I, III)	1.991	1.967	0.047	1.952	2.030	7
Cu—N	(4–6), (I, II): all	2.012	1.969	0.088	1.962	2.040	15
	(4–6), (II): excluding 3 > 2.16	1.966	1.964	0.024	1.948	1.980	11
Mo—N	(5, 6), (II, VI): all	2.095	2.062	0.078	2.026	2.175	10	30
	(5, 6), (VI)	2.037	2.036	0.025	2.019	2.054	6
	(6), (II): all BUNZOZ	2.182	2.175	0.021	2.167	2.203	4
Ru—N	see ENAZPU10 (2.122)
Pd—N	see AZENPD10 (2.077), BEJJAB (2.044)
U—N	see BOPTEF (2.382)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.8.1.2 Azido (μ₂-N¹,N¹-N₃)^§
N¹—N²		1.210	1.202	0.025	1.195	1.220	11
N²—N³	excluding 2 > 1.25	1.135	1.136	0.015	1.127	1.146	9
Cu—N	(4–6), (II): excluding 1 > 2.4	2.014	2.018	0.040	1.986	2.034	15
Zr—N	see BAXFOV (2.202, 2.204)
Rh—N	see AFMZRH (2.133, 2.105)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.8.1.3 Azido (μ₂-N¹,N³-N₃)^§
N—N		1.173	1.171	0.015	1.167	1.183	8
Ni—N	see ZTANPB (2.196, 2.069)
Cu—N	see BUVNIP (2.456, 1.979), MDNCAZ10 (2.252, 1.985), TTZZCU10 (2.013, 1.994)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.9.1.1 Nitrosyl (terminal NO)								78, 80
N—O	all	1.172	1.173	0.036	1.155	1.194	211	91
	M—N—O > 150°	1.176	1.175	0.030	1.156	1.194	197
	M—N—O < 140°	1.114	1.125	0.057	1.064	1.164	10
V—N	see BEYFEQ (1.809), BIVGAO (1.760)
Cr—N	(4, 6, 7): (Cr—N—O 166–180°)	1.684	1.680	0.022	1.675	1.694	16
Mn—N	(5, 6): (Mn—N—O 164–180°)	1.651	1.648	0.013	1.641	1.659	14
Fe—N	(4–6, ^‡): (Fe—N—O 144–180°)	1.671	1.666	0.028	1.650	1.681	51	92
	: (Fe—N—O > 155°)	1.669	1.666	0.023	1.650	1.680	50
Co—N	(4–6): (Co—N—O 124–180°)	1.697	1.667	0.084	1.640	1.805	22	8, 30, 92
	: (Co—N—O > 158°)	1.646	1.649	0.030	1.617	1.669	15
	(Co—N—O < 133°) excluding BUBBAB (1.705)	1.822	1.815	0.020	1.806	1.842	6
Ni—N	(3, 4): (Ni—N—O 161–180°)	1.628	1.629	0.024	1.612	1.649	11
Mo—N	(5–8): (Mo—N—O 166–180°)	1.787	1.779	0.041	1.760	1.804	44
Ru—N	(4–6): (Ru—N—O 143–180°)	1.751	1.752	0.038	1.732	1.766	12
	(Ru—N—O > 168°) excluding RUNCPP10 (1.839)	1.743	1.751	0.027	1.727	1.763	11
Rh—N	see NSDPRH10 (1.801)
W—N	(5–7): (W—N—O 168–180°)	1.792	1.800	0.034	1.770	1.822	7
Re—N	(4, 6): (Re—N—O 170–180°)	1.749	1.780	0.026	1.734	1.766	16
Os—N	(4–6): (Os—N—O 133–180°)	1.751	1.748	0.067	1.732	1.776	7	92
	Os—N—O > 174°: excluding NSOSPP10 (1.859)	1.733	1.743	0.051	1.708	1.771	6
Ir—N	(4, 5): (Ir—N—O 124–180°)	1.780	1.757	0.106	1.688	1.872	8	92
	(Ir—N—O > 163°) excluding CNOPIR (1.972), ICNPIR (1.900)	1.720	1.713	0.046	1.678	1.765	6

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.9.1.2 Nitrosyl (μ₂-NO)								78
N—O		1.210	1.208	0.025	1.195	1.218	19
Cr—N	see BRNOCR (1.892, 1.924)
Mn—N		1.855	1.858	0.007	1.850	1.860	18
Fe—N	see MENTFE (1.818)
Co—N		1.817	1.821	0.012	1.804	1.826	4
Ru—N	all BISKOD	1.918	1.919	0.005	1.913	1.922	4
Rh—N	see COBGIJ (1.952)
Os—N		2.042	2.040	0.029	2.014	2.073	6

Bond	Substructure (coordination number, oxidation state, comment)	Note^†
4.9.1.3 Nitrosyl (μ₃-NO)		78
N—O	(1.247)
Mn—N	see TCPMNN10 (1.933, 1.917, 1.939)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.9.2.1 Thionitrosyl (terminal NS)								80, 93
N—S		1.518	1.509	0.022	1.504	1.541	4
Cr—N	see CTNSCR10 (1.693)
Ru—N	see COGHEL (1.729)
Os—N	see CESNET (1.779), CIBKED (1.730)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.10.1.1 NH₂
(None)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.10.2.1 Primary amides (NHR)								94
N—C		1.434	1.429	0.035	1.404	1.470	4
Mo—N	see ADASMO (2.058), MPBMOE10 (1.955, 1.964)
Os—N	see BOSRUW (1.896)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.10.3.1 Secondary amides [NR₂, R = C(sp³)]								94
N—C		1.464	1.463	0.017	1.455	1.472	162
Ti—N	(4, 5), (IV): all	1.939	1.943	0.016	1.928	1.947	11
Zr—N	see TBIAZR (2.058, 2.062)
Mo—N	(4, 5), (III): (mainly Mo₂)	1.955	1.952	0.020	1.945	1.967	44
Tc—N	see CEWZIN10 (1.908, 1.916)
Ta—N	(5, 6), (V)	1.964	1.963	0.017	1.954	1.978	12
W—N	(4), (III, VI)	1.952	1.955	0.015	1.937	1.967	7
U—N	(4, 5), (IV)	2.206	2.212	0.033	2.172	2.235	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.10.3.2 Amides (μ₂-NR₂)
N—C	all C(sp³)	1.479	1.482	0.036	1.470	1.493	10
Ti—N	see BUNKEA (2.147, 2.191)
Cu—N	see CIDBAS (1.901, 1.907)
Mo—N	see PAIDMO (2.178, 2.250)
Au—N	see CASPIV (2.142, 2.139)
U—N	see URDEAM10 (2.456, 2.571)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.11.1.1 Amidinates [η¹-RNC(R)NR]
(None)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.11.1.2 Amidinates [chelating, η²-RNC(R)NR]								84
N—C		1.315	1.311	0.021	1.300	1.324	12
Mo—N	(7), (II)	2.171	2.177	0.021	2.148	2.188	10
Re—N	see BIYWUB (2.215, 2.217)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.11.1.3 Amidinates [bridging, μ₂-η¹, η^1′-RNC(R)NR]
N—C		1.340	1.336	0.022	1.323	1.352	22
Cr—N	all MBZACR	2.032	2.031	0.009	2.024	2.041	4
Mo—N	(5), (11)	2.149	2.151	0.016	2.134	2.161	12
Re—N	all PBARTC	2.077	2.076	0.015	2.063	2.092	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.12.1 Schiff bases (η¹-RN=CR₂)^§								95
N=C		1.287	1.286	0.021	1.275	1.300	768
N—C		1.471	1.473	0.022	1.461	1.485	765
Ti—N	see ESALTJ (2.136, 2.139)
V—N	(5, 6), (IV): all	2.047	2.041	0.024	2.036	2.054	7
Cr—N	(5, 6), (0, I, III): all	2.079	2.028	0.073	2.018	2.152	9
	(5, 6), (0)	2.153	2.152	0.032	2.123	2.182	4
	(6), (I, III)	2.019	2.019	0.006	2.014	2.025	5
Mn—N	(6, 7), (II, III): all	2.163	2.116	0.143	2.051	2.292	10	96, 97
Fe—N	(5–7), (0, II, III): all	2.038	1.992	0.103	1.942	2.109	78	30
	(5), (0): all	1.953	1.932	0.039	1.926	1.997	6
	(5, 6), (II): all	2.044	2.031	0.098	1.950	2.119	32	30
	: low spin	1.958	1.954	0.021	1.938	1.977	16
	: high spin	2.131	2.115	0.057	2.086	2.162	16
	(5, 6), (III): all	2.022	1.991	0.086	1.937	2.108	36	30
	: low spin	1.949	1.944	0.024	1.931	1.973	20
	: high spin	2.113	2.108	0.029	2.094	2.123	16
	(7), (II)	2.258	2.260	0.014	2.244	2.270	4
Co—N	(4–6), (I–III): all	1.943	1.917	0.084	1.891	1.946	142	30
	(4), (II)	1.907	1.876	0.065	1.871	1.921	25	86
	(5, 6), (II)	2.015	2.036	0.109	1.897	2.128	44	30
	: short (<1.95)	1.897	1.894	0.023	1.881	1.916	18
	: long (>1.99)	2.097	2.115	0.054	2.048	2.140	26
	(5, 6), (III): all	1.914	1.917	0.021	1.897	1.931	71
Ni—N	(4–6, ^‡), (0, II, IV): all	1.929	1.906	0.080	1.860	2.000	136
	(4), (0): all	1.924	1.924	0.006	1.922	1.930	7
	(4), (II)	1.888	1.871	0.048	1.855	1.917	77	86
	(5), (II): all	1.922	1.889	0.084	1.853	2.031	16	30
	: short (<1.925)	1.869	1.859	0.028	1.843	1.898	11
	: long (>2.025)	2.038	2.039	0.010	2.029	2.048	5
	6, (II): all	2.051	2.055	0.034	2.022	2.075	27
	6, (IV)	1.872	1.872	0.004	1.869	1.876	4
Cu—N	(3–6, ^‡), (I, II): all	1.969	1.964	0.053	1.936	1.990	227	86
	(3, 4), (I)	2.005	1.989	0.073	1.947	2.075	18
	(4), (II)	1.954	1.947	0.043	1.921	1.977	97
	(5), (II)	1.966	1.965	0.039	1.936	1.986	88
	(6), (II): all	2.010	2.005	0.049	1.966	2.049	14
Zn—N	(4–6, ^‡), (II): all	2.122	2.120	0.049	2.114	2.167	11
Zr—N	all SAZPZR	2.428	2.435	0.021	2.406	2.443	4
Mo—N	(5–7), (0–VI): all	2.189	2.181	0.065	2.131	2.237	31
	(6), (0)	2.244	2.254	0.042	2.203	2.274	6
	(7), (II)	2.216	2.221	0.028	2.204	2.233	10
	(-), (V, VI): excluding 2 > 2.30	2.124	2.130	0.013	2.113	2.133	12
Tc—N	(5, 6), (V)	2.034	2.023	0.029	2.002	2.066	7
Ru—N	see BAVSIA (2.190), COGXRU (2.138)
Rh—N	(4, 6), (I, III): all	2.053	2.039	0.046	2.013	2.103	8
	(6), (III)	2.023	2.026	0.019	2.005	2.039	5
Pd—N	(4, 5, ^‡), (II): all	2.037	2.032	0.040	2.017	2.046	26
Ag—N	(4–6), (I, II): all	2.403	2.429	0.112	2.311	2.447	9
Cd—N	see BEHMOQ (2.399, 2.457)
La—N	all EPAILA	2.714	2.721	0.025	2.688	2.734	4
Ce—N	(8), (IV)	2.615	2.614	0.025	2.608	2.638	8
W—N	see ALBCIW (2.219)
Re—N	(6), (V)	2.121	2.122	0.023	2.099	2.143	6
Os—N	[all μ-N(R)=C(R) clusters]	2.145	2.150	0.025	2.125	2.161	18
Ir—N	see SCLIRA10 (2.098)
Pt—N	see BISIPT (2.171, 2.176), BZHXDB (2.021, 1.995)
Au—N	see MEAZAU (1.976, 1.980)
Hg—N	see BOCWEV (2.158)
Th—N	(8), (IV): all	2.641	2.654	0.022	2.618	2.659	5
U—N	(7), (VI): excluding COKPIB (2.710)	2.572	2.568	0.012	2.565	2.586	6

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.13.1 Pyrroles^§
N—C¹		1.375	1.376	0.022	1.363	1.388	168
C¹—C²		1.429	1.434	0.039	1.399	1.453	168
C²—C^2′		1.368	1.371	0.025	1.350	1.384	83
Ti—N	see CPYRTI10 (2.067, 2.100)
Mn—N	(6), (-): all	2.126	2.141	0.041	2.095	2.148	5
Fe—N	(5, 6), (II, III): all	2.020	1.995	0.075	1.948	2.107	8
	(5, 6), (III)	1.969	1.985	0.031	1.936	1.995	5
Co—N	(5), (II)	2.044	2.063	0.033	2.009	2.065	6
Ni—N	(4), (II)	1.906	1.897	0.030	1.877	1.937	18
Cu—N	(4, 5), (II)	1.908	1.899	0.023	1.890	1.929	13
Zn—N	(4, 5), (II)	1.999	1.990	0.040	1.975	2.004	13
	(4), (II)	1.980	1.976	0.009	1.974	1.990	10
Zr—N	see CYPRZR10 (2.167, 2.170)
Mo—N	see BOXHUR (2.151)
Tc—N	see TPPTCC (2.161)
Rh—N	(4, ^‡), (I, II)	2.067	2.065	0.017	2.052	2.083	4
Pd—N	see BESFOU (2.010, 2.071)
Hf—N	see CESJOZ (2.164, 2.178)
Pt—N	see CAFFIY (2.045)
Hg—N	see FMTPHG (2.016), TAMPHG (2.325)
U—N	see CIMINU10 (2.490, 2.527, 2.533)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.13.2 Porphinates^§								98
N—C		1.380	1.379	0.011	1.373	1.385	564
Ti—N	(5), (IV)	2.112	2.115	0.016	2.098	2.124	8
V—N	(5, 6), (II, IV)	2.085	2.098	0.027	2.051	2.104	6
Cr—N	(4, 5), (II, V)	2.037	2.036	0.005	2.033	2.042	6
Mn—N	(4–6), (II–IV): all	2.024	2.013	0.046	1.998	2.030	34
	(4–6), (II)	2.057	2.029	0.053	2.009	2.124	14
	(5, 6), (III, IV)	2.001	2.002	0.020	1.992	2.016	20
Fe—N	(4–6), (II, III): all	2.031	2.038	0.036	1.995	2.062	88	30, 98, 99
	(4–6), (II)	2.009	2.000	0.035	1.987	2.006	22
	(4–6), (III)	2.034	2.050	0.034	1.999	2.067	66
	(4–6), (II, III): short (<2.014)	1.995	1.995	0.009	1.991	2.003	41
	(4–6), (II, III): long (>2.022)	2.063	2.062	0.017	2.051	2.074	47
Co—N	(4–6), (II, III): all	1.969	1.983	0.022	1.947	1.988	19
Ni—N	(4), (II)	1.943	1.949	0.014	1.931	1.954	16
Cu—N	(4), (II)	1.991	1.992	0.009	1.985	1.996	6
Zn—N	(4, 5), (II)	2.068	2.063	0.024	2.058	2.074	18
Nb—N	(6, 7), (V)	2.234	2.239	0.037	2.209	2.247	16
Mo—N	(5, 6), (II, IV): excluding OTPHMO	2.086	2.090	0.017	2.075	2.097	28	44
Ru—N	(5, 6), (II, III)	2.047	2.047	0.007	2.043	2.055	24
Rh—N	(5, 6), (III)	2.034	2.031	0.010	2.026	2.042	6
Cd—N	all PHPNCD	2.145	2.150	0.029	2.115	2.169	4
Pt—N	see CEZKEX (2.005)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.13.3 Phthalocyanines^§
N—C		1.380	1.381	0.011	1.379	1.389	70
Ti—N	(5), (IV): all BITSAY	2.066	2.064	0.013	2.055	2.080	4
V—N	(5), (IV): all VPHTHC	2.026	2.029	0.013	2.012	2.037	4
Mn—N	see MNPHCY03 (1.938, 1.939)
Fe—N	(4, 6), (II)	1.934	1.931	0.009	1.927	1.941	6
Co—N	(4, 6), (II)	1.921	1.915	0.017	1.910	1.938	4
Ni—N	see NIPHTI (1.887)
Zn—N	see PTHCZN (1.978, 1.980)
Nb—N	(6), (IV): all BEJTIT	2.144	2.144	0.015	2.129	2.159	4
Nd—N	all CIZGIB02	2.471	2.471	0.009	2.463	2.479	4
Os—N	(6), (II): all PCPCOS	2.016	2.015	0.041	1.980	2.055	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.14.1.1 Pyrazolates (η¹-C₃R₃N₂)^§
N¹—N²	(1.361, 1.369, 1.367)
N¹—C⁵	(1.347, 1.350, 1.345)
N²—C³	(1.340, 1.332, 1.327)
C³—C⁴	(1.376, 1.386, 1.383)
C⁴—C⁵	(1.384, 1.368, 1.373)
Mo—N	see CAFLEA (2.157, 2.166)
Ir—N	see BIXBUF10 (2.080)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.14.1.2 Pyrazolates (μ₂-η¹, η^1′-C₃R₃N₂)^§
N—N		1.367	1.368	0.014	1.360	1.375	34
N—C		1.345	1.345	0.020	1.338	1.350	68
C—C		1.378	1.377	0.017	1.370	1.385	68
Ti—N	see PZCPTI (2.205, 2.183)
Fe—N	all DMPZFE	2.005	2.007	0.004	2.001	2.009	4
Co—N	all DMPZCO	1.988	1.988	0.007	1.982	1.995	4
Ni—N	(3, 4), (0–II)	1.957	1.971	0.044	1.917	1.997	16
Cu—N	(3, 5), (I, II)	1.929	1.934	0.035	1.892	1.958	8
Rh—N	(4–6), (I, III): all	2.080	2.084	0.017	2.065	2.094	24
Pd—N	all PZALPD10	2.073	2.071	0.006	2.069	2.079	4
Ir—N	(4, 5), (I, II)	2.070	2.078	0.022	2.053	2.091	7

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.14.2.1 Imidazolates (η¹-C₃R₃N₂)^§
N¹—C²		1.344	1.345	0.023	1.329	1.360	21
N¹—C⁵		1.376	1.369	0.026	1.355	1.398	21
C²—N³		1.336	1.338	0.017	1.322	1.346	21
N³—C⁴		1.356	1.355	0.024	1.340	1.372	21
C⁴—C⁵		1.380	1.382	0.021	1.373	1.393	21
Co—N	see ACNTCC (2.005), CTENCO20 (1.956)
Cu—N	(4, 5), (II): all	1.994	1.992	0.024	1.980	2.009	6
Pd—N	see ADBPPD (2.015)
Ag—N	see IMDZAG (2.074, 2.098)
Ir—N	see CEXZIO (2.321, 2.116), CEXZOU (2.081), CEYBEN (2.081)	2.035	2.030	0.035	2.005	2.070	4
Pt—N	(4), (II)
Hg—N	see ADMEHH (2.070), CIRMAR (2.081)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.14.2.2 Imidazolates (μ₂-η¹, η^1′-C₃N₂R₃)^§
N¹—N²		1.332	1.332	0.012	1.325	1.341	49
N¹—C⁵		1.372	1.373	0.016	1.363	1.381	49
C⁴—C⁵		1.358	1.354	0.015	1.348	1.368	25
Mn—N	all IMIDZA	2.154	2.114	0.078	2.099	2.250	6	30
Fe—N	(4, 6), (II)	2.065	2.043	0.070	2.012	2.137	8
Cu—N	(4–6), (II): excluding BIMTCU (2.323)	1.966	1.967	0.022	1.957	1.979	19
Zn—N	see IMZZNN (1.986, 1.993)
Rh—N	(4, 5), (-)	2.104	2.104	0.034	2.071	2.138	8
Ir—N	see CEYBEN (2.087, 2.094)
Hg—N	(2, 3), (II)	2.086	2.084	0.008	2.079	2.094	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.14.3 N-Alkylpyrazoles^§
N¹—N²		1.360	1.360	0.015	1.350	1.368	53
N¹—C⁵		1.331	1.333	0.015	1.324	1.340	53
N²—C³		1.349	1.350	0.012	1.342	1.358	53
C³—C⁴		1.356	1.358	0.020	1.344	1.371	53
C⁴—C⁵		1.387	1.387	0.015	1.377	1.396	53
N²—C(R)		1.452	1.452	0.023	1.439	1.469	53
Cr—N	all CEYBIR	2.101	2.097	0.023	2.082	2.128	6
Co—N	see DPPTCC (2.021, 2.036)
Ni—N	(5, 6), (II)	2.057	2.047	0.031	2.034	2.089	4
Cu—N	(2, 4, 5, ^‡), (I, II): all	1.973	1.979	0.072	1.927	1.994	19
	(2), (I)	1.876	1.878	0.009	1.867	1.884	4
	(4), (I)	1.991	1.990	0.039	1.963	2.030	8
	(4, 5), (II): excluding BENDED (2.173)	1.985	1.985	0.007	1.979	1.992	5
Mo—N	see CAFLAW (2.123)
Rh—N	see COSTIN (2.102, 2.111)
Pd—N	(4), (II)	2.026	2.031	0.018	2.007	2.040	4
Ag—N	see PMPZAG10 (2.243)
Pt—N	(4, 6), (II, IV): all	2.189	2.210	0.064	2.121	2.236	4
Au—N	see BOFCEE (2.130, 2.141)
Th—N	all FAPZTH10	2.637	2.633	0.017	2.624	2.655	4
U—N	all UHXAPY10	2.574	2.582	0.024	2.549	2.593	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.14.4 N-Alkylimidazoles^§
N¹—C²		1.346	1.344	0.014	1.337	1.353	103
C²—N³		1.320	1.320	0.017	1.310	1.328	104
N³—C⁴		1.382	1.380	0.016	1.370	1.393	104
N¹—C⁵		1.369	1.369	0.015	1.361	1.380	104
C⁴—C⁵		1.359	1.362	0.023	1.342	1.375	104
N¹—C(R)		1.468	1.468	0.020	1.458	1.480	104
Mn—N	see MNTPPI10 (2.191)
Fe—N	(6), (II): excluding BERTAT (2.021)	2.199	2.191	0.018	2.183	2.218	5
Co—N	(4–6), (II, III): all	2.058	2.036	0.065	2.015	2.096	21	8
	(4), (II)	2.019	2.016	0.008	2.013	2.026	6
	(5, 6), (II)	2.100	2.096	0.067	2.031	2.161	10
	(6), (III)	2.021	2.042	0.053	1.970	2.062	5
Ni—N	see CESKIU (2.102, 2.110)
Cu—N	(4–6), (I, II): all	2.022	2.004	0.051	1.995	2.046	33
	(4), (II)	1.974	1.970	0.019	1.959	1.995	7
	(5), (II)	2.040	2.007	0.061	1.996	2.092	16
	(6), (II)	2.023	2.022	0.021	2.006	2.041	9
Zn—N	see CEPGUZ (2.083), MADCZB10 (2.040)
Mo—N	see COFZEC (2.141, 2.273)
Ru—N	see BAKDUM (2.094)
Rh—N	see RACCAF (2.316)
Pd—N	see COHCUX (1.988), ENGUPD (2.013), TCMIPD10 (2.011)
Ag—N	(2, 3), (I)	2.141	2.139	0.016	2.126	2.155	8
Cd—N	see BEGNAC (2.358)
Pt—N	(4), (II): all	2.017	2.015	0.014	2.008	2.027	20
Hg—N	see BEJGIG (2.132), CAGSIM (2.125), MEGUHG (2.087)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.14.5 Pyrazole^§
N¹—N²		1.352	1.353	0.015	1.345	1.356	43
N²—C³		1.329	1.329	0.009	1.325	1.336	42
N¹—C⁵		1.339	1.338	0.010	1.333	1.345	43
C⁴—C⁵		1.357	1.357	0.019	1.350	1.367	43
C³—C⁴		1.388	1.387	0.017	1.376	1.396	43
Mn—N	(6), (I, II): all	2.209	2.240	0.071	2.168	2.249	6
	(6), (II)	2.237	2.243	0.021	2.219	2.252	5
Fe—N	see MEPZFE (2.068)
Co—N	see FMPZCO (2.032, 2.040, 2.042)
Ni—N	(6), (II): excluding PYRZNI (1.905, 1.908)	2.102	2.098	0.016	2.089	2.118	4
Cu—N	(5, 6), (II)	1.988	1.995	0.030	1.964	2.011	12
Zn—N	see CIRVOO (2.016, 2.017)
Mo—N	(6, 7), (0, II, III): all	2.193	2.174	0.059	2.142	2.251	6
Ru—N	see CIZBES (2.211)
Rh—N	(4, 6), (I, III)	2.102	2.100	0.016	2.088	2.118	4
Pd—N	see BABTUT (2.101)
Pt—N	see CEZMUP (2.027)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.14.6 Pyrazolylborates^§
N¹—N²		1.366	1.366	0.012	1.360	1.372	210
N²—N³		1.339	1.339	0.014	1.329	1.347	211
N¹—C⁵		1.347	1.347	0.011	1.340	1.354	209
C⁴—C⁵		1.366	1.368	0.016	1.360	1.375	211
C³—C⁴		1.383	1.382	0.015	1.373	1.391	210
N¹—B		1.546	1.543	0.019	1.535	1.555	211
Cr—N	(4), (II)	2.061	2.060	0.006	2.057	2.067	4
Fe—N	(6, 7), (II, III): all	2.129	2.147	0.055	2.102	2.169	22
Co—N	(4, 6), (II, III): all	1.948	1.951	0.048	1.916	1.979	6	30
Ni—N	all PYZBNI [excluding PPZBNI (1.891)]	2.092	2.090	0.007	2.087	2.099	6
Cu—N	(2–6), (I, II): all	2.035	2.002	0.134	1.949	2.052	29	86
	(2–5), (I)	2.001	1.987	0.075	1.946	2.041	23
	(3), (1)	1.936	1.941	0.028	1.913	1.958	5
Zr—N	see CEFHEA (2.387, 2.438, 2.430)
Mo—N	(5–7), (0–VI): all	2.218	2.219	0.042	2.188	2.245	90
Tc—N	see CHBPTC (2.088, 2.089, 2.259)
Ru—N	see PZBZRU10 (2.101, 2.112)
Rh—N	(4–6), (I, III): all	2.098	2.083	0.043	2.071	2.123	12
Ag—N	see PRZBAG (2.194, 2.412)
Yb—N	all BORVIN	2.469	2.453	0.074	2.405	2.530	8
Ta—N	see CEXHUI (2.227, 2.273, 2.294)
W—N	(6), (-)	2.215	2.213	0.028	2.200	2.218	9
Pt—N	(4, 5), (II)	2.098	2.121	0.050	2.054	2.129	9
Au—N	see CEPMAL (2.119, 2.127)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.14.7 Pyrazolylgallates^§
N¹—N²		1.370	1.368	0.009	1.362	1.377	40
N²—C³		1.336	1.339	0.014	1.334	1.344	40
N¹—C⁵		1.344	1.344	0.011	1.339	1.352	40
C⁴—C⁵		1.363	1.364	0.017	1.355	1.372	40
C³—C⁴		1.380	1.381	0.012	1.373	1.386	40
N¹—Ga		1.966	1.975	0.029	1.942	1.989	40
Mn—N	see BATZIF (2.077), BEWVEE (2.076, 2.080)
Fe—N	see MEPGFE (2.107)
Ni—N	(4–6), (0–II): all	1.986	1.981	0.075	1.920	2.068	11
	(4), (0–II)	1.932	1.922	0.038	1.898	1.976	6
Cu—N	(4), (I, II)	1.982	1.979	0.026	1.960	2.006	5
Mo—N	(5–7), (0–II): all	2.252	2.264	0.048	2.221	2.288	13
	(7), (-)	2.267	2.270	0.033	2.237	2.289	11
Rh—N	(4, 6), (I, II)	2.168	2.173	0.038	2.168	2.188	7

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.14.8 Imidazole^§
N³—C²		1.324	1.324	0.012	1.316	1.330	194
N³—C⁴		1.381	1.380	0.015	1.372	1.391	197
C²—N¹		1.340	1.339	0.014	1.332	1.347	196
N¹—C⁵		1.369	1.366	0.018	1.358	1.379	196
C⁴—C⁵		1.361	1.356	0.021	1.347	1.373	197
Cr—N	see BOPPIF10 (2.062, 2.050), LDHPCR10 (2.057)
Mn—N	(5, 6), (I, II): all	2.237	2.248	0.057	2.196	2.276	10
	(5, 6), (II)	2.251	2.266	0.042	2.205	2.279	9
Fe—N	(4, 6), (-): all	2.157	2.152	0.091	2.107	2.235	7
Co—N	(4–6), (II, III): all	2.010	2.013	0.077	1.930	2.089	22	8
	(4), (II)	2.022	2.019	0.011	2.013	2.034	4
	(5, 6), (II)	2.103	2.097	0.028	2.088	2.112	7
	(6), (III)	1.946	1.930	0.036	1.916	1.958	11
Ni—N	(4, 6), (II): all	2.103	2.099	0.024	2.082	2.128	30
Cu—N	(3–6), (I, II): excluding IMZCUN (2.593)	1.988	1.981	0.050	1.961	2.008	82
	(4), (II)	1.982	1.981	0.024	1.963	2.001	19
	(5), (II): all	1.984	1.975	0.038	1.961	1.997	35	86
	(5), (II): excluding 2 > 2.07	1.976	1.974	0.020	1.961	1.994	33
	(6), (II): excluding 3 > 2.13	1.996	2.009	0.038	1.954	2.029	23
Zn—N	(4–6), (II)	2.043	2.056	0.044	1.997	2.076	21
	(4), (II)	2.023	2.010	0.033	1.995	2.056	11
	(6), (II)	2.084	2.076	0.027	2.066	2.098	8
Mo—N	see MOSHIS10 (2.238, 2.245)
Ru—N	see BAKDOG (2.087)
Pd—N	see BOLRID (2.005), HISTPD (2.029)
Ag—N	see ADAGPC (2.154), AGIMHN01 (2.118, 2.132)
Cd—N	(6, 8), (II)	2.302	2.290	0.054	2.255	2.349	11
Os—N	see CASVIB (2.153)
Ir—N	see CEYBEN (2.081)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.15.1 Pyridine^§
N—C²		1.341	1.339	0.018	1.331	1.348	612
C²—C³		1.382	1.380	0.020	1.371	1.393	613
C³—C⁴		1.372	1.372	0.021	1.360	1.384	610
Ti—N	see ESALTJ (2.279)
V—N	see TPYCLV (2.188)
Cr—N	(6), (-)	2.178	2.158	0.076	2.147	2.171	11	100
	(6), (-)	2.146	2.158	0.030	2.122	2.168	9	85
Mn—N	see BANVUH10 (2.018), COTGEX (2.377), FACMNB (2.086, 2.109)
Fe—N	(5, 6), (0, II, III): all	2.224	2.242	0.102	2.148	2.270	14	87, 96
Co—N	(4–6), (II, III): all	2.082	2.066	0.084	2.004	2.172	50	8
	(6), (III): excluding CORHOG (2.214)	2.034	2.040	0.044	1.992	2.071	29
	(6), (II): excluding BACREC10 (1.953, 1.963)	2.185	2.183	0.037	2.170	2.214	15
Ni—N	(4, 6), (-): all	2.111	2.116	0.059	2.085	2.150	33
	(6), (-)	2.122	2.117	0.042	2.096	2.152	31
Cu—N	(-), (-) : all	2.070	2.046	0.072	2.033	2.061	32	86
	(4), (-)	2.024	2.023	0.019	2.007	2.043	4
	(5), (-)	2.113	2.060	0.105	2.024	2.183	11
	(6), (-)	2.054	2.046	0.032	2.039	2.055	16
Zn—N	(4–6), (-)	2.095	2.081	0.063	2.051	2.149	16
	(4), (-)	2.064	2.064	0.057	2.027	2.115	6
	(5), (-)	2.116	2.121	0.069	2.046	2.178	6
	(6), (-)	2.111	2.099	0.058	2.063	2.173	4
Mo—N	(5–7), (-): all	2.300	2.279	0.078	2.252	2.336	25	15, 100
	: excluding HPHOMO10 (2.446)	2.282	2.278	0.046	2.249	2.329	23	85
Ru—N	(6), (I–III): all	2.124	2.108	0.049	2.095	2.138	28	100
		2.114	2.107	0.031	2.094	2.121	26	85
Rh—N	(6), (II–III): all	2.119	2.066	0.090	2.056	2.222	13	30, 100
		2.063	2.062	0.016	2.050	2.075	9	85
Pd—N	(4), (-)	2.089	2.085	0.061	2.033	2.149	4
Ag—N	(-), (-)	2.299	2.322	0.056	2.228	2.331	7
Cd—N	(6, 7), (-)	2.381	2.368	0.042	2.355	2.413	5
Ta—N	see PCTATL10 (2.423)
W—N	(5, 6): all	2.284	2.283	0.098	2.201	2.323	11
	: excluding CAKTUD (2.528)	2.260	2.263	0.059	2.196	2.322	10
Re—N	(5, 6), (IV–VII): all	2.235	2.176	0.114	2.142	2.339	13	87
Os—N	(6), (-): all	2.165	2.169	0.053	2.106	2.217	6
Ir—N	see PCHIRH10 (2.140), PHPCIR10 (2.176)
Pt—N	(4, 6), (-): all	2.085	2.061	0.078	2.036	2.125	11
	(4), (-)	2.050	2.045	0.048	2.014	2.091	8
Hg—N	excluding ETACHG (2.656)	2.164	2.146	0.054	2.127	2.198	6	26

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.15.2 2,2′-Bipyridyl (chelating, η²-bpy)^§
N—C		1.352	1.351	0.017	1.343	1.359	329
C²—C^2′		1.471	1.474	0.021	1.462	1.481	166
V—N	(5, 6), (-): all	2.186	2.151	0.075	2.126	2.280	12	30
	: short (<2.2)	2.137	2.133	0.028	2.114	2.153	8
Cr—N	(6), (III): all	2.085	2.076	0.037	2.059	2.088	20	30
Mn—N	see BPYMNA (2.291, 2.311), TNBPMN (2.087, 1.996)
Fe—N	(5, 6), (0, II, III): all	2.008	1.964	0.089	1.958	2.123	23	30
	(5, 6), (II, III): low spin	1.961	1.962	0.012	1.954	1.967	16
	(6), (III): high spin	2.151	2.153	0.024	2.123	2.172	6
Co—N	(6), (II, III): all	2.098	2.129	0.093	2.072	2.147	10	8, 30
	(6), (II)	2.141	2.133	0.023	2.126	2.152	8
Ni—N	(4, 5, 6), (-): all	1.956	1.948	0.044	1.934	1.960	12	9
	(4)	1.944	1.939	0.033	1.921	1.959	9
Cu—N	(4, 5, 6), (-): all	2.031	2.007	0.057	1.991	2.071	108	12, 86
	(4), (II)	2.002	1.997	0.025	1.986	2.018	12
	(5), (-)	2.038	2.010	0.062	1.992	2.081	70	86
	(6), (-)	2.024	2.003	0.053	1.990	2.053	22	86
Zn—N	(-), (-): all	2.088	2.090	0.034	2.056	2.117	4
Zr—N	see TCBPZR (2.412)
Nb—N	see TCBPNB (2.319)
Mo—N	(5, 6, 7), (-): all	2.260	2.251	0.074	2.210	2.314	32	15
Ru—N	(6), (-): all	2.064	2.063	0.028	2.044	2.087	34
Rh—N	see BIHJORH10 (2.020, 2.029)
Pd—N	(3, 4, 6), (0, II, IV): all	2.088	2.086	0.087	2.014	2.169	8
Ag—N	see BPYAGN (2.179, 2.153)
Cd—N	(6), (-): all	2.369	2.367	0.033	2.339	2.396	14
Re—N	see DPCLRE10 (2.245)
Os—N	see CIXLIE (2.071, 2.112)
Ir—N	(6), (-)	2.071	2.049	0.042	2.039	2.115	20
Pt—N	see BIBFUN (2.107, 2.103), BPYCPT (2.001)
Hg—N	(5, 6, 7), (-): all	2.307	2.293	0.057	2.276	2.358	8
U—N	(9), (-): all	2.627	2.623	0.018	2.612	2.646	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.15.3 Phenanthroline (chelating, η²-o-phen)^§
N—C		1.361	1.360	0.014	1.353	1.367	157
C²—C^2′		1.428	1.429	0.017	1.419	1.439	84
Ti—N	see PNOLTI (2.147, 2.223)
Cr—N	see BUWYIB (2.055, 2.057)
Mn—N	(6), (I, II): all	2.106	2.069	0.070	2.055	2.190	6
	(6), (I)	2.062	2.052	0.013	2.055	2.075	4
Fe—N	(6), (II): all	2.059	1.982	0.122	1.968	2.182	25
	: tris-phen only	1.969	1.970	0.015	1.958	1.979	15
Co—N	(6), (I–III): all	2.027	1.998	0.096	1.943	2.133	16	30
	(6), (I, II)	2.141	2.137	0.020	2.124	2.156	6
	(6), (III)	1.958	1.947	0.033	1.938	1.992	10
Ni—N	(4–6), (II): all	2.053	2.063	0.047	2.009	2.092	16	9
	(4), (II)	1.989	1.985	0.011	1.982	2.001	4
	(5), (II)	2.034	2.033	0.011	2.024	2.045	4
	(6), (II)	2.093	2.092	0.015	2.080	2.104	8
Cu—N	(4–6), (I, II): all	2.059	2.023	0.069	2.009	2.087	51	12, 86
	(4), (I)	2.083	2.078	0.040	2.056	2.122	14
	(5), (II): excluding 3 > 2.21	2.021	2.015	0.027	2.009	2.021	18
	(6), (II): short (<2.05)	2.008	2.005	0.016	1.998	2.012	10
	: long (>2.09)	2.129	2.124	0.025	2.111	2.149	5
Zn—N	(4), (II)	2.063	2.063	0.007	2.057	2.069	4
Nb—N	see OPENBO10 (2.280, 2.332)
Mo—N	(5, 6), (0, IV, VI):	2.276	2.273	0.076	2.205	2.351	4
Ru—N	see MPTBRH (2.083, 2.092)
Rh—N	(6), (III): all CELLAG	1.934	1.933	0.009	1.925	1.934	4
Cd—N	(6, ^‡), (II)	2.369	2.368	0.018	2.354	2.384	5
Ir—N	see CAYGAK (2.085, 2.122)
Pt—N	see BOVLED (2.165, 2.175), CNPLPT (2.053, 2.762; 2.063, 2.007)
Hg—N	(4, 6, 8), (II): all	2.486	2.408	0.147	2.391	2.669	11	30

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.16.1.1 Pyrazines (η¹-C₄R₄N₂)^§
N¹—C²		1.340	1.336	0.016	1.330	1.344	36
C²—C³		1.390	1.387	0.022	1.376	1.403	37
C³—N⁴		1.334	1.334	0.018	1.325	1.342	38
Cr—N	see ACPCRB (2.315)
Fe—N	see PYZTCI (2.031)
Co—N	(6), (II): all	2.145	2.125	0.054	2.104	2.190	6
Cu—N	(5, 6), (II): excluding PYZCUA01 (2.167)	2.011	2.004	0.041	1.975	2.053	4
Zn—N	see AZNPYD (2.145)
Ru—N	see CABYIN (2.129, 2.152), PYZRUA (2.006)
Rh—N	see PRNRHC (2.363)
Ir—N	see CLPZIR (2.018)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.16.1.2 Pyrazines (μ₂-C₄R₄N₂)^§
N—C		1.337	1.333	0.022	1.326	1.345	18
C—C		1.383	1.380	0.015	1.369	1.398	9
Cu—N	(4, 5), (II)	2.024	2.016	0.021	2.009	2.046	4
Rh—N	see BUZZAX (2.100)
Pd—N	see BENDAZ (2.051)
Yb—N	see CPPYYB01 (2.614)
Hg—N	see PAZHGN (2.263)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.16.2.1 Pyridazines (η¹-C₄R₄N₂)^§
N¹—N²		1.334	1.334	0.006	1.328	1.340	4
N¹—C⁶		1.325	1.327	0.007	1.318	1.330	4
N²—C³		1.335	1.334	0.005	1.329	1.337	4
C³—C⁴		1.374	1.377	0.026	1.349	1.397	4
C⁴—C⁵		1.347	1.351	0.012	1.334	1.356	4
C⁵—C⁶		1.388	1.387	0.017	1.373	1.405	4
Fe—N	see TAZCFE (2.013)
Cu—N	see BEJNIN (2.052, 2.071), PYAZCU10 (2.122)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.16.2.2 Pyridazines (μ₂-C₄R₄N₂)^§
N¹—N²		1.352	1.357	0.028	1.333	1.373	14
N¹—C⁶		1.319	1.316	0.020	1.303	1.335	28
C³—C⁴		1.417	1.415	0.027	1.392	1.442	28
C⁴—C⁵		1.373	1.380	0.038	1.337	1.406	14
Fe—N	see DAZHCF (1.955, 1.956)
Ni—N	see HPCXNI (2.075, 2.060)
Cu—N	(4–6, ^‡), (II): all	2.015	2.013	0.029	1.988	2.039	22
Ru—N	see DAZRUC10 (2.132, 2.136)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.16.3.1 Pyrimidines (η¹-C₄R₄N₂)^§
N¹—C²		1.360	1.361	0.026	1.346	1.377	95
N¹—C⁶		1.361	1.357	0.022	1.349	1.374	95
N³—C²		1.345	1.342	0.033	1.321	1.374	95
N³—C⁴		1.359	1.356	0.024	1.341	1.377	95
C⁴—C⁵		1.372	1.375	0.030	1.351	1.395	95
C⁵—C⁶		1.401	1.397	0.029	1.378	1.422	95
Co—N	(4, II) or (6, III): excluding CICYAO (2.158)	1.981	1.981	0.006	1.976	1.987	4
Ni—N	see URCLNI (2.144)
Cu—N	(3–6), (I, II): excluding CLPRCV	2.006	1.992	0.047	1.981	2.020	19
	(4–6), (II)	1.999	1.992	0.027	1.981	2.016	16
Zn—N	(4, 6), (II): all	2.065	2.065	0.013	2.056	2.074	6
Mo—N	(5, 6), (II, V): all	2.203	2.183	0.058	2.158	2.243	10
	(5), (II)	2.178	2.173	0.026	2.157	2.198	8
Pd—N	see BUCBUW (2.086), DCMCPD (2.031)
Ag—N	(2–5), (I): all	2.188	2.188	0.026	2.167	2.209	5
Cd—N	(4–6, 8), (II): all	2.295	2.295	0.065	2.239	2.324	7
	(4–6), (II)	2.275	2.289	0.042	2.232	2.304	6
W—N	(5, 8), (II, IV): all	2.161	2.163	0.010	2.156	2.169	8
Pt—N	(4, 5), (II): all	2.033	2.033	0.015	2.024	2.044	26
Hg—N	(2, 5), (II): all	2.117	2.100	0.033	2.092	2.151	5

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.16.3.2 Pyrimidines (μ₂-C₄R₄N₂)^§
N¹—C²		1.349	1.351	0.019	1.328	1.367	6
N¹—C⁶		1.330	1.322	0.024	1.310	1.353	6
C⁴—C⁵		1.378	1.375	0.044	1.354	1.406	6
Ti—N	see PMDTTI10 (2.174, 2.239)
Cu—N	see COPFOC (2.007, 2.011)
Ag—N	see SULPMS (2.205, 2.460)

Bond	Substructure (coordination number, oxidation state, comment)	Note^†
4.17.1 Hydrazido(1−)(η¹-NRNR₂)		80
N—N	(1.318, 1.388)
Re—N	see CEXKAR (1.949)
Ir—N	see NPHZIR (1.912)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.17.2 Hydrazido(2–)(η¹-NNR₂, R = C, H)								80
N—N		1.300	1.293	0.032	1.282	1.324	16
Fe—N	see CESTOJ (1.811)
Mo—N	(5, 6), (II, IV, VI)	1.768	1.764	0.024	1.748	1.794	9	77
W—N	(6, 7), (IV, V)	1.751	1.752	0.014	1.738	1.763	5
Re—N	see BILMUE (1.937)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.17.3.1 Diazenes (η¹-RNNR)^§
N—N	(1.235, 1.240, 1.131)
Pd—N	see DCAZPD (2.023, 2.023)
Au—N	see AZTLAW (2.151)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.17.3.2 Diazenes (η²-RNNR)^§
N—N	(1.340)
Ti—N	see AZBCTI10 (1.965, 1.971)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.17.4.1 Hydrazines (η¹-NR₂NR₂)
N—N		1.424	1.421	0.020	1.411	1.433	81
Mn—N	see PHYZMN (2.345)
Fe—N	see BEPZIF (2.273, 2.276)
Co—N	(5, 6), (II, III): all	2.105	2.173	0.115	1.980	2.208	7	30
	(5, 6), (II)	2.196	2.194	0.024	2.175	2.220	4
Ni—N	(4, 6), (II): all	2.100	2.119	0.064	2.093	2.133	21
	(6), (II)	2.118	2.120	0.027	2.101	2.133	19
Cu—N	(4–6), (I, II): all	2.019	2.011	0.033	2.004	2.033	15
Zn—N	(6), (II)	2.158	2.167	0.022	2.130	2.175	7
Ru—N	see DMHERU01 (2.166, 2.279, 2.203)
Rh—N	(6), (III)	2.118	2.115	0.023	2.098	2.136	10
Cd—N	(6), (II)	2.451	2.469	0.070	2.367	2.502	6
Sm—N	see ISNHSM (2.628, 2.651, 2.719)
Dy—N	see CECLIF10 (2.570)
Er—N	all CECLEB10	2.540	2.537	0.010	2.533	2.550	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.17.4.2 Hydrazines (μ₂-NR₂NR₂)
N—N	(1.423)
Fe—N	see HZBTFE (2.245)

Bond	Substructure (coordination number, oxidation state, comment)	Note^†
4.18.1.1 Triazenido (terminal, η¹-RNNNR)^§		84, 101
(M)N—N	(1.336, 1.333, 1.339)
N—N	(1.286, 1.282, 1.274)
Pd—N	see CTAZPD10 (2.033)
Pt—N	see PAZPPT10 (2.084, 2.089)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.18.1.2 Triazenido (chelating, η²-RNNNR)^§								101
N—N		1.308	1.313	0.024	1.298	1.322	6
Mo—N	see TLTZMO (2.232, 2.270)
Ru—N	see TAZRUP10 (2.149, 2.179)
Hg—N	see MNAZHG (2.313, 2.434)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.18.1.3 Triazenido (μ-η¹, η^1′-RNNNR)								101
N—N		1.308	1.303	0.020	1.295	1.318	46
Cu—N	all CUDPTZ10	2.019	2.008	0.044	1.980	2.061	8
Zn—N	all BISPAU	2.002	2.003	0.012	1.992	2.013	6
Mo—N	(5), (III): (asymmetric)	2.212	2.210	0.056	2.159	2.261	6
Rh—N	(5), (-)	2.117	2.117	0.022	2.095	2.138	8
Pd—N	(5), (II)	2.078	2.079	0.042	2.034	2.123	16
W—N	see MOPAZW (2.107, 2.096)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.19.1.1 Hydrazones and related ligands (η¹-NR₂N = CR₂)
N—N		1.382	1.380	0.021	1.367	1.397	137
N=C		1.294	1.293	0.017	1.281	1.308	137
Cr—N	(7), (III): see COHTOI (2.196, 2.259), DAPSCR10 (2.023, 2.397)
Mn—N	(5–7), (II)	2.293	2.289	0.030	2.274	2.316	12
Fe—N	(6, 7), (II, III): all	2.100	2.124	0.126	1.957	2.202	14	96
Co—N	(5–7), (I, II)	2.171	2.169	0.049	2.148	2.198	30
Ni—N	(5–7,^‡), (II): all	2.102	2.095	0.060	2.071	2.126	38
	(6), (II)	2.092	2.093	0.049	2.065	2.111	32
Cu—N	(4–6), (II): excluding 2 > 2.40	1.986	1.982	0.047	1.938	2.036	20
Zn—N	(4, 6, 7), (II): all	2.232	2.234	0.069	2.187	2.293	6
	(6, 7), (II)	2.255	2.247	0.043	2.216	2.299	5
Mo—N	see CLOSMO (2.194)
Pd—N	(4), (II)	2.043	2.030	0.031	2.020	2.068	6
Yb—N	see PCPHYB (2.534)
Pt—N	see BHZEPT (2.221), COPGAP (2.249), HAPZPT10 (2.166)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.20.1 vic-Dioximes [chelating, η²-N(O)CRCRN(O)]^§
N—C		1.299	1.299	0.014	1.291	1.308	548
N—O		1.356	1.352	0.026	1.339	1.369	550
C—C		1.467	1.466	0.019	1.456	1.482	268
Fe—N	(6), (II)	1.901	1.901	0.018	1.886	1.918	4
Co—N	(4, 6), (II, III): all	1.893	1.889	0.030	1.882	1.897	363	102
	(6), (II): excluding FLDXCO10 (2.12–2.15)	1.903	1.897	0.026	1.887	1.928	12
	(6), (III)	1.890	1.888	0.014	1.881	1.896	332
Ni—N	(4, 6), (II): all	1.939	1.872	0.103	1.864	2.067	45	9, 30
	(4), (II)	1.869	1.868	0.013	1.860	1.872	30
	(6), (II)	2.079	2.082	0.035	2.054	2.105	15
Cu—N	(4–6), (I, II): all	2.012	1.992	0.072	1.961	2.034	38	30
	(4, 5), (I)	2.135	2.137	0.022	2.110	2.156	10
	(4–6), (II)	1.974	1.980	0.027	1.951	1.998	28
Rh—N	(6), (III)	2.009	1.998	0.034	1.988	2.023	34
Pd—N	(4, 5, ^‡), (II)	1.991	1.983	0.023	1.973	2.002	28
Pt—N	(4, 6, ^‡), (II, IV)	1.994	1.991	0.019	1.980	2.010	38

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.21.1 N-Nitrite (η¹-NO₂) (see also 5.12.1)								103, 104
N—O		1.221	1.227	0.027	1.212	1.236	172	91
Cr—N	see HMTZCR (2.203)
Co—N	(6), (III): excluding BISHUG (2.105)	1.932	1.932	0.023	1.920	1.943	67
Ni—N	(4, 6), (0, II): all	2.118	2.125	0.071	2.084	2.153	6	9
	(6), (II)	2.143	2.129	0.043	2.118	2.174	5
Cu—N	see PMPDCU (2.052)
Ru—N	see BUPMOO (2.099)
Pd—N	(4), (II)	2.020	2.020	0.021	2.001	2.035	6
Pt—N	(4, 6), (II–IV): all	2.132	2.171	0.076	2.038	2.188	6
	(6), (III, IV)	2.181	2.179	0.013	2.169	2.195	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.22.1 Ammonia (NH₃)								105
Cr—N	(6), (III)	2.069	2.069	0.008	2.063	2.076	5
Co—N	(6), (III)	1.965	1.963	0.021	1.953	1.974	119
Ni—N	(4, 6), (II): all	2.074	2.115	0.093	1.941	2.141	7	30
	(6), (II)	2.128	2.130	0.019	2.109	2.146	5
Cu—N	(4–6),(II)	1.987	1.988	0.017	1.977	1.996	11
Zn—N	see CAXPUM (2.036, 2.051)
Mo—N	see MEKTMO (2.217)
Ru—N	(6), (II, III): all	2.126	2.123	0.024	2.109	2.145	37
	(6), (II)	2.151	2.150	0.012	2.142	2.162	14
	(6), (III)	2.110	2.111	0.016	2.104	2.122	19
Rh—N	(4, 6), (I, III): all	2.114	2.120	0.018	2.111	2.124	7
	(4), (I)	2.120	2.121	0.007	2.113	2.126	6
Pd—N	see APDPZC (2.026, 2.038)
Re—N	see ATCTPR (2.253)
Os—N	see TCTPOS (2.136)
Pt—N	(4–6,^‡), (II–IV): all	2.050	2.048	0.021	2.036	2.059	102
	(4), (II)	2.049	2.046	0.017	2.035	2.060	40
	(6), (III, IV)	2.050	2.051	0.009	2.045	2.056	25
	(5), (II)	2.052	2.053	0.023	2.038	2.069	23
	(^‡), (-)	2.032	2.036	0.013	2.019	2.045	12

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.22.2 Primary amines [NH₂R, R = C(sp³)]
N—C		1.484	1.484	0.019	1.474	1.494	1577
Cr—N	(6), (III)	2.078	2.080	0.021	2.068	2.089	138
Mn—N	(5), (II)	2.198	2.199	0.007	2.192	2.204	6
Fe—N	(6, II): all picolylamine	2.067	2.030	0.070	2.019	2.084	15	30
	(6, II): excluding FEPICA	2.035	2.027	0.027	2.012	2.063	12
Co—N	(4–6), (II, III): all	1.966	1.964	0.025	1.952	1.977	716
	(6), (III)	1.965	1.964	0.021	1.952	1.976	710
Ni—N	(4–6, ^‡), (-): all	2.074	2.089	0.064	2.071	2.115	130	30
	(4), (II): excluding BIHFAZ, NETNIP02	1.917	1.918	0.008	1.912	1.922	16
	(4), (II): only BIHFAZ, NETNIP02	2.084	2.086	0.008	2.075	2.091	6
	(6), (II)	2.097	2.096	0.024	2.078	2.117	99
Cu—N	(4–6, ^‡), (-): all	2.019	2.013	0.039	1.996	2.030	274	12, 86
	(4), (II)	2.011	2.009	0.026	1.995	2.025	61
	(5), (-)	2.024	2.014	0.040	1.998	2.033	132	86
	(6), (II): excluding 3 > 2.150	2.014	2.016	0.023	1.997	2.029	62
Zn—N	(4–6), (II): all	2.114	2.102	0.065	2.063	2.152	51
	(5), (II)	2.064	2.063	0.034	2.043	2.074	18
	(6), (II)	2.152	2.139	0.054	2.103	2.206	30
Mo—N	(6–8), (II, IV–VI): all	2.290	2.271	0.067	2.237	2.355	13	30
	(6–8), (II, IV, V)	2.243	2.251	0.030	2.224	2.267	8
	(6), (VI)	2.364	2.362	0.023	2.343	2.387	5
Tc—N	(6), (V)	2.171	2.173	0.026	2.144	2.191	6
Ru—N	(6), (II, IV): all	2.123	2.120	0.025	2.108	2.141	27
Rh—N	(6), (III)	2.061	2.062	0.009	2.053	2.068	12	85
Pd—N	(4, 5), (II): all	2.037	2.041	0.022	2.027	2.050	42
Ag—N	see AGENPC10 (2.169, 2.171)
Cd—N	(6), (II)	2.291	2.292	0.013	2.279	2.298	13
Nd—N	all BILSIY	2.628	2.627	0.020	2.613	2.638	6
W—N	see BOWLUU (2.407), CACRIH (2.213)
Re—N	(6), (V)	2.164	2.161	0.018	2.149	2.179	8
Os—N	(6), (IV, VI)	2.128	2.114	0.037	2.109	2.155	5
Pt—N	(4–6, ^‡), (II, IV): all	2.049	2.048	0.030	2.034	2.065	107
	(4), (II)	2.043	2.046	0.026	2.033	2.061	65
	(6), (II, IV)	2.069	2.065	0.034	2.047	2.079	27
Au—N	see ENSPAU (2.119, 2.134)
Hg—N	see COKDUB (range 2.179–2.416)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.22.3 Primary amines [NH₂R, R = C(sp²)]
N—C		1.437	1.440	0.025	1.429	1.449	43
Co—N	(5, 6), (II, III): all	2.012	2.009	0.051	1.977	2.042	13
	(5, 6), (II)	2.016	2.014	0.009	2.008	2.025	4
	(6), (III)	2.010	2.001	0.062	1.947	2.066	9
Ni—N	see MAQUNI10 (2.057, 2.063)
Cu—N	(4–6, ^‡), (II): excluding BZBCUA (2.216)	2.036	2.027	0.028	2.012	2.066	5	12
Zn—N	(4–6), (II)	2.095	2.085	0.053	2.049	2.150	4
Mo—N	see ABTCMO (2.001, 2.009)
Ru—N	see CANBRU (2.213)
Rh—N	see BAYJAM (2.155), PRNRHD (2.324)
Pd—N	see SULPDC10 (2.055)
Cd—N	(5–7), (II)	2.402	2.423	0.039	2.359	2.435	9
Nd—N	see BABNAT (2.743)
Re—N	see ACANRE (2.246)
Pt—N	see BATLPT10 (2.103), XAXASP (2.074)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.22.4 Secondary amines [NHR₂, R = C(sp³)]
N—C		1.488	1.487	0.021	1.476	1.499	1718
Ti—N	see BUNKIE (2.284, 2.301)
V—N	see CAGSAE (2.328), CINKUF (2.150, 2.160, 2.328)
Cr—N	(6), (0, II, III): all	2.090	2.086	0.033	2.071	2.100	40
	(6), (II, III)	2.085	2.085	0.021	2.070	2.093	38
Fe—N	(6, 7), (II, III): all	2.158	2.164	0.078	2.133	2.181	44
	(6), (III)	2.142	2.157	0.062	2.125	2.179	40
	(7), (II)	2.316	2.306	0.042	2.283	2.360	4
Co—N	(6), (II, III): all	1.976	1.970	0.050	1.949	1.991	229
	(6), (II)	2.168	2.161	0.031	2.152	2.176	9
	(6), (III)	1.968	1.967	0.030	1.947	1.986	216
Ni—N	(4–6), (II): all	2.042	2.067	0.086	1.954	2.108	204	30
	(4), (II)	1.930	1.930	0.028	1.916	1.953	60
	(6), (II)	2.097	2.098	0.042	2.072	2.121	124
Cu—N	(4–6, ^‡), (II): all	2.034	2.026	0.056	2.008	2.048	166	12, 86
	(4), (II)	2.030	2.025	0.034	2.008	2.049	17
	(5), (II): all	2.043	2.029	0.067	2.010	2.055	97	86
	: excluding 5 > 2.23	2.029	2.027	0.032	2.008	2.049	92
	6, (II): all	2.022	2.022	0.027	2.002	2.048	35
Zn—N	(4–6), (II): all	2.143	2.162	0.079	2.066	2.214	17
	(4), (II): all MAMPZN	2.039	2.039	0.006	2.032	2.045	4
	(5), (II): all	2.188	2.200	0.051	2.155	2.219	10
Mo—N	(5–8), (0, II–VI)	2.271	2.259	0.054	2.219	2.329	32	81, 87
Tc—N	all BAPPIR	2.126	2.125	0.011	2.115	2.137	4
Ru—N	(6), (II, III): all	2.127	2.085	0.085	2.071	2.238	10	30
	(6), (III)	2.075	2.083	0.018	2.064	2.085	7
Rh—N	(4, 6), (I, III): all	2.116	2.094	0.084	2.044	2.201	14	30
	(4), (I)	2.202	2.202	0.036	2.163	2.236	6
	(6), (III)	2.051	2.051	0.032	2.019	2.084	8
Pd—N	(4, 6), (II, IV): all	2.043	2.053	0.035	2.007	2.060	28
	(4), (II)	2.041	2.047	0.036	2.003	2.059	25
Ag—N	(5, 6), (I): excluding TZTDAG01 (2.159, 2.162)	2.483	2.476	0.054	2.443	2.536	10
Cd—N	(4–7), (II): all	2.318	2.329	0.051	2.267	2.370	10
W—N	see CAPSOB (2.333, 2.338)
Re—N	(6), (I)	2.248	2.250	0.021	2.230	2.268	6
Pt—N	(4, 6), (II, IV): all	2.054	2.046	0.052	2.020	2.075	31
	(4), (II)	2.060	2.052	0.059	2.003	2.122	21
	(6), (IV)	2.049	2.048	0.013	2.036	2.063	8
Hg—N	see BUPSUA (2.275, 2.439), HGTXZO (2.724)
U—N	see SDAPOU20 (2.589)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
4.22.5 Secondary amines [NHR₂, R₂ ≠ C(sp³)₂]
N—C	R = C(sp²)	1.452	1.452	0.021	1.436	1.468	14
	R = C(sp³)	1.488	1.484	0.015	1.497	1.478	14
Ni—N	(4, 6), (II): all	2.070	2.090	0.084	2.018	2.143	10
	(6), (II)	2.105	2.091	0.045	2.066	2.156	8
Zn—N	see CAKGAW (2.213, 2.214)
Mo—N	see BESJOY (2.357, 2.379)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.22.6 Tertiary amines (NR₃, R = any C)
N—C		1.487	1.487	0.021	1.475	1.500	2246
Ti—N	(6), (IV)	2.296	2.294	0.025	2.273	2.317	6
V—N	(6, 7), (III–V)	2.277	2.279	0.056	2.262	2.294	12
Cr—N	(5, 6), (0, II, III): all	2.152	2.138	0.106	2.066	2.209	20
	(6), (0)	2.207	2.209	0.016	2.192	2.221	4
	(6), (III): excluding BILDIJ (2.355)	2.093	2.089	0.044	2.046	2.138	13
Mn—N	(4–6), (I–III): all	2.306	2.338	0.120	2.197	2.384	9
	(5, 6), (II)	2.393	2.354	0.076	2.341	2.465	5
Fe—N	(5–7), (II, III): all	2.215	2.199	0.112	2.090	2.317	36
	(5), (II): all	2.155	2.162	0.079	2.080	2.191	11	96
	(5–7), (III): all	2.241	2.292	0.115	2.099	2.319	25	30, 96
	(5–7), (III): Fe—N < 2.18	2.101	2.089	0.031	2.085	2.105	9
	(5–7), II: Fe—N > 2.26	2.321	2.316	0.044	2.294	2.338	16
Co—N	(4–6), (I–III): all	2.080	2.040	0.135	1.961	2.199	91	86
	(4), (II)	2.075	2.068	0.026	2.062	2.102	7
	(6), (II)	2.216	2.218	0.039	2.187	2.237	25
	(6), (III)	1.961	1.960	0.027	1.938	1.977	43
Ni—N	(4–6), (0–III): all	2.112	2.115	0.109	2.062	2.177	95
	(4), (II)	1.957	1.973	0.048	1.894	1.996	11
	(6), (II)	2.144	2.147	0.057	2.101	2.177	59
	(6), (III): all CEXHAO	1.924	1.926	0.012	1.912	1.939	7
Cu—N	(4–6, ^‡), (I, II): all	2.098	2.071	0.093	2.045	2.112	260	12, 86
	(4), (I)	2.139	2.135	0.053	2.099	2.178	44
	(4), (II)	2.057	2.055	0.039	2.045	2.073	35
	(5)	2.099	2.067	0.112	2.043	2.095	125	86
	(6): all	2.091	2.049	0.095	2.034	2.105	43	30, 86
	(6): short (<2.12)	2.046	2.042	0.028	2.021	2.062	34
	(6): long (>2.19)	2.260	2.244	0.056	2.213	2.299	9
Zn—N	(4–6), (II): excluding CMPORZ (2.530)	2.159	2.147	0.071	2.105	2.197	24
	(4)	2.111	2.106	0.031	2.086	2.143	11
	(5)	2.234	2.205	0.059	2.191	2.300	6
	(6): all	2.171	2.147	0.068	2.110	2.244	7
Mo—N	(5, 6, ^‡) (II–IV): all	2.372	2.387	0.094	2.273	2.450	33
	(^‡), (IV): clusters only	2.252	2.255	0.016	2.242	2.265	6
	(6), (II)	2.398	2.410	0.054	2.344	2.447	6
	(6), (IV)	2.419	2.409	0.046	2.382	2.462	5
	(6), (VI)	2.430	2.428	0.078	2.354	2.514	6	81
Tc—N	(6), (-)	2.196	2.200	0.029	2.170	2.220	5
Ru—N	see CIYTUZ01 (2.306)
Rh—N	(6), (I, III): all	2.087	2.083	0.066	2.032	2.152	9
	(6), (III)	2.050	2.052	0.040	2.020	2.086	6
Pd—N	(4, 5, ^‡), (-): all	2.111	2.098	0.052	2.097	2.147	66
	(4), (-)	2.110	2.093	0.053	2.077	2.145	61	81
Ag—N	(3, 4, ^‡), (I)	2.372	2.380	0.031	2.342	2.406	9
Cd—N	(5–8), (II)	2.437	2.428	0.074	2.379	2.499	18
La—N	see HETALA11 (2.804, 2.835)
Pr—N	see BIFYUK (2.696, 2.731)
Nd—N	see BILSIY (2.701, 2.717)
Sm—N	(9, 10), (III)	2.715	2.716	0.059	2.659	2.771	4
Eu—N	(7, 9), (-): excluding CEXHUL (2.899)	2.606	2.627	0.062	2.540	2.651	4
Gd—N	see BIFZEV (2.625, 2.677)
Dy—N	(8, 9), (-)	2.602	2.596	0.031	2.577	2.634	4
Er—N	see HENAEB (2.523, 2.561)
Yb—N	(8, 9), (-)	2.571	2.555	0.054	2.529	2.628	4
Lu—N	see CILCUV (2.588, 2.478, 2.468)
W—N	see CEPLUE (2.492, 2.325)
Re—N	see BOTFOF (2.326), COLWAB (2.242, 2.269)
Os—N	see CHDQOS (2.231)
Ir—N	(4, 6), (I, II): all	2.095	2.078	0.049	2.066	2.134	5
	(6), (III)	2.074	2.077	0.013	2.061	2.085	4
Pt—N	(4–6), (II): all	2.137	2.116	0.083	2.082	2.146	18	86
	(4), (II)	2.108	2.116	0.035	2.078	2.126	13
Hg—N	see CEFCUL (2.888)
U—N	see EMASOU10 (2.692)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
4.23.1 Borazines (see also 2.3.1)
V—N	see BOKXEE (2.218)
Cr—N	see BRNOCR (2.067, 2.069), BUZPIV (2.205, 2.211), EMABOB (2.133, 2.159)
Fe—N	see BEHLOP (2.090), BEMLAG10 (2.008), BUCZOO (2.012)
Ni—N	see CIDBOG (2.495)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.1.1.1 Oxo (terminal O)								106
V—O	(5–7), (-)	1.607	1.606	0.026	1.588	1.622	79	107
Cr—O	(4, 5), (-)	1.616	1.598	0.041	1.590	1.651	11	7
Nb—O	(5–7), (-)	1.720	1.731	0.030	1.695	1.745	17
Mo—O	(4–7), (-)	1.693	1.694	0.021	1.678	1.707	346	77, 108
Tc—O	(5–6), (-): all	1.676	1.660	0.051	1.632	1.743	14	30
	(5, 6), (-): not trans to O	1.647	1.652	0.022	1.626	1.664	10	44
	(6), (V): trans to O	1.749	1.751	0.006	1.743	1.754	4
W—O	(-), (-)	1.692	1.697	0.020	1.674	1.706	22
Re—O	(4–6), (-)	1.709	1.709	0.032	1.695	1.723	54	90
Os—O	(4–6), (-)	1.718	1.722	0.022	1.711	1.732	17	110
U—O	(6–8), (-)	1.763	1.762	0.026	1.748	1.776	161

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.1.1.2 Oxo (μ₂-O)								106
Ti—O	(5–8), (-)	1.820	1.824	0.028	1.794	1.841	44
V—O	see BIGVAO (1.697, 1.884; 1.694, 1.874), BUPCEU (1.763, 1.875)
Cr—O	see CEYBIR (1.812, 1.818), HMTCRC10 (1.764)
Fe—O	(4–7), (-)	1.794	1.779	0.065	1.770	1.791	22
	: excluding CEFVOY	1.775	1.774	0.017	1.769	1.787	20
Zr—O	(4, 8), (IV)	1.957	1.958	0.008	1.950	1.964	11
Nb—O	(6–8), (IV, V)	1.946	1.926	0.036	1.913	1.983	21
Mo—O	(5–7, ^‡), (-): excluding CABHIW	1.924	1.927	0.028	1.910	1.941	239
Tc—O	(6), (-)	1.914	1.914	0.008	1.907	1.923	6
Hf—O	see OXMCHF (1.941)
Ta—O	(6, 7), (V)	1.924	1.923	0.027	1.900	1.951	4
W—O	(5, 6, ^‡), (-)	1.916	1.920	0.023	1.899	1.933	64
Re—O	(6), (II–VII)	1.926	1.920	0.026	1.907	1.945	16
Os—O	(5, 6), (IV, VI)	1.859	1.830	0.061	1.811	1.922	5	87
U—O	see PAUELI10 (2.161, 2.197)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.1.1.3 Oxo (μ₃-O)
Ti—O	all CPTIOO	1.972	1.971	0.006	1.968	1.977	20
V—O		1.946	1.985	0.061	1.872	1.995	20	30
Cr—O		1.937	1.936	0.008	1.933	1.944	13
Mn—O	see OACPMN (1.942)
Fe—O	all COCNAJ	1.929	1.956	0.056	1.863	1.968	6
Co—O	see OXCFOR (2.039, 2.055, 2.114)
Nb—O		2.062	2.039	0.046	2.027	2.118	12	30
Mo—O		2.015	2.003	0.035	1.990	2.048	47
Ru—O	see BAHPEF (2.056, 2.067, 2.114)
Rh—O		1.959	1.965	0.040	1.920	1.996	6
W—O		1.994	1.999	0.019	1.981	2.007	28
U—O	see BIHCUQ (2.229, 2.231, 2.243)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.2.1.1 Hydroxy (terminal OH)
Cr—O	[including H⋯O(H)—Cr]	1.929	1.926	0.013	1.919	1.936	6
Co—O	see CHXPCO (1.895), HGXIMC (2.190)
Zn—O	see ACBZNM (2.268)
Mo—O		1.988	1.976	0.043	1.957	2.032	4
Re—O	see BAXJOZ (1.795)
Pt—O		2.006	2.002	0.017	1.992	2.023	9

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.2.1.2 Hydroxy (μ₂-OH)
V—O	see CINKUF (1.955, 1.968)
Cr—O	(6), (II, III)	1.959	1.960	0.023	1.946	1.972	55
Fe—O	(5, 6, ^‡), (III): dominated by COCNAJ	1.967	1.965	0.039	1.951	1.989	34
Co—O	(6), (III)	1.905	1.908	0.019	1.895	1.924	11
Cu—O	(4, 5, ^‡), (II)	1.918	1.913	0.029	1.897	1.931	55	111
Zr—O	see COSROR (2.091, 2.167)
Mo—O	(6–8), (III, IV)	2.061	2.081	0.068	2.040	2.098	10	87
Ru—O	(6,^‡), (II, III)	2.093	2.112	0.049	2.031	2.132	13	87
Rh—O	(6), (III)	2.110	2.108	0.046	2.090	2.135	10
Yb—O	see PCPHYB (2.188, 2.216)
Ta—O	see BUCLUG (2.024, 2.041)
Re—O	(6), (I, VII)	2.100	2.070	0.054	2.060	2.165	6	87
	(6), (VII)	2.065	2.065	0.006	2.059	2.070	4
Os—O	see CIRNUM (2.120, 2.133)
Ir—O	all BAHVAH	2.120	2.119	0.004	2.117	2.125	4
Pt—O	all HEPPTB	2.130	2.130	0.041	2.094	2.167	4
U—O	see BUFFUD (2.336, 2.346)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.2.1.3 Hydroxy (μ₃-OH)
Ni—O	all TACNIH10	2.087	2.091	0.011	2.079	2.096	7
Cu—O	(^‡), (II)	1.995	1.988	0.033	1.969	2.024	10
Zn—O	see ACBZNM (1.990, 2.089, 2.096)
Mo—O	all CHPMOC	2.100	2.074	0.067	2.055	2.172	12	30
Ru—O	(^‡), (-)	2.146	2.141	0.028	2.123	2.173	4
W—O	all DPEPOW	2.211	2.229	0.048	2.161	2.247	12
Re—O	see BALZUJ (2.210)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.3.1.1 Alkoxy [terminal O—C(sp³)]
O—C		1.426	1.427	0.030	1.411	1.443	287
Ti—O	(6–8), (IV)	1.847	1.855	0.055	1.812	1.883	6
V—O	see PRXHQV (1.774)
Cr—O	(4, 5), (III, IV)	1.816	1.824	0.045	1.773	1.855	5
Mn—O	see BOPWAE (1.838)
Fe—O	see LIBCRC (1.806, 1.829), MPORFE10 (1.815)
Co—O	(6), (-): dominated by (III)	1.921	1.931	0.026	1.897	1.939	9
Ni—O	see BIBSAG (1.853), FMPHNI (1.840, 1.842)
Cu—O	(4, 5), (II): excluding 1 > 2.46	1.899	1.908	0.025	1.875	1.917	17
Zr—O	(7, 8), (IV)	1.924	1.921	0.020	1.905	1.944	5
Nb—O	(6), (V)	1.869	1.877	0.048	1.818	1.910	15
Mo—O	(4–6, ^‡), (-)	1.911	1.908	0.046	1.885	1.935	114	15
Tc—O	see ASMETE (1.963, 1.936)
Rh—O	see INDRHA (2.081), INDRHB (2.013)
Ce—O	see FLMECE (2.196, 2.203, 2.230)
W—O		1.900	1.901	0.044	1.868	1.934	85
Re—O	(6), (V, VI)	1.890	1.886	0.028	1.869	1.901	8
Os—O	(5, 6), (VI)	1.914	1.896	0.047	1.873	1.970	8
Pt—O	(4, 6), (II, IV)	2.028	2.029	0.031	2.000	2.056	4
U—O	(7, 8), (IV, VI)	2.122	2.121	0.084	2.047	2.199	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.3.1.2 Alkoxy [μ₂-OC(sp²)]
O—C		1.433	1.429	0.029	1.410	1.455	42
Cr—O	(6), (I, II)	1.980	1.980	0.026	1.957	2.005	4
Fe—O	see BIGPOW (1.998, 1.948)
Cu—O	(4, 5, ^‡), (II)	1.929	1.934	0.018	1.918	1.944	20	111
Zn—O		1.958	1.969	0.027	1.929	1.975	4
Zr—O	all BUXLEL	2.156	2.158	0.026	2.130	2.180	6
Nb—O	all NBPMOX	2.149	2.151	0.023	2.127	2.170	4
Mo—O		2.094	2.105	0.054	2.032	2.154	12
Rh—O	see BUHTON (2.051, 2.063)
Pd—O	all BIJPAL	1.996	1.999	0.010	1.985	2.004	4
W—O		2.081	2.087	0.057	2.029	2.114	16
Re—O	all MXOXRE10	2.113	2.109	0.021	2.095	2.135	4
Pt—O	see MODIPT (2.040, 2.161)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.3.1.3 Alkoxy [μ₃-OC(sp³)]
O—C		1.445	1.441	0.026	1.429	1.459	49
Fe—O	see BOWCAR10 (1.985, 1.989, 1.941)
Co—O	(-), (II, III): all (many asymmetric)	2.044	2.091	0.104	1.911	2.135	20	30
	(-), (III): all are < 1.93	1.899	1.903	0.019	1.886	1.911	6
	(-), (II): all are > 2.02	2.106	2.101	0.042	2.082	2.143	14
Ni—O		2.066	2.062	0.035	2.032	2.084	18
Cu—O	(-), (I, II): all	2.147	1.986	0.260	1.959	2.422	68	30
	(-), (II): short (<2.12)	1.968	1.963	0.026	1.954	1.977	41
	(-), (II): long (>2.22)	2.518	2.540	0.116	2.428	2.596	21
Zn—O	all BOYTOY	2.017	2.064	0.017	2.056	2.086	12
Mo—O		2.186	2.166	0.049	2.154	2.221	13	111
Ru—O	see IPVRUB (2.127, 2.145, 2.210)
W—O	see HXETOW10 (2.174, 2.201, 2.160)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.3.2.1 Aryloxy (terminal OAr)^§
O—C¹		1.321	1.318	0.022	1.307	1.333	442
C¹—C²		1.410	1.411	0.018	1.399	1.422	888
C²—C³		1.394	1.393	0.026	1.375	1.411	890
C³—C⁴		1.381	1.379	0.024	1.367	1.394	890
Ti—O	(5, 6, 8), (III, IV): all	1.873	1.898	0.064	1.828	1.920	9
V—O	(5, 6), (IV, V): all	1.917	1.925	0.043	1.906	1.945	13
Cr—O	(6), (III)	1.921	1.924	0.007	1.914	1.926	6
Mn—O	(6), (III)	1.914	1.896	0.064	1.866	1.953	8
Fe—O	(4–6,^‡), (II, III)	1.913	1.905	0.043	1.882	1.937	66
Co—O	(4–6), (I–III): all	1.907	1.896	0.051	1.873	1.919	93	86
	(4), (II)	1.867	1.860	0.028	1.847	1.880	22
	(5), (II)	1.923	1.925	0.039	1.879	1.953	15
	(6), (II)	1.977	1.995	0.062	1.906	2.030	17	30
	(6), (III)	1.894	1.895	0.014	1.886	1.903	34
Ni—O	(4–6), (II): all	1.915	1.865	0.085	1.847	2.006	37	30
	(4), (II)	1.865	1.856	0.049	1.824	1.888	16
	(5), (II): excluding 2 > 1.97	1.848	1.849	0.007	1.842	1.853	8
	(6), (II)	2.023	2.023	0.021	2.005	2.045	11
Cu—O	(2–6), (I, II): all	1.908	1.898	0.039	1.887	1.927	89	111
	(4), (II)	1.893	1.892	0.015	1.884	1.900	48
	(5), (II)	1.920	1.918	0.034	1.892	1.940	25
	(6), (II)	1.940	1.943	0.022	1.928	1.957	12
Zn—O	see CPZHZN (1.953), MPZHZN (1.957), SALEZN (1.937)
Y—O	all BIRJUH	2.298	2.297	0.013	2.287	2.310	4
Zr—O	(8), (IV)	2.074	2.086	0.033	2.030	2.099	7
Mo—O	(4–6), (II–VI)	1.964	1.956	0.080	1.915	1.974	29	15
	(4–6), (III, IV)	1.927	1.926	0.026	1.902	1.954	11
Tc—O	see CEPHUA (1.987), COKZAD (1.949)
Ru—O	see CESNAP (2.080, 2.129)
Rh—O	(4, 6), (I, III)	2.035	2.035	0.010	2.024	2.041	7
Pd—O	(4), (II)	2.016	1.992	0.041	1.984	2.056	12
Ce—O	all CEZYUB	2.215	2.219	0.021	2.194	2.233	4
Ta—O	see BUNKAW (1.909), COLVII (1.836)
W—O	(5–7), (II, V, VI): all	1.955	1.936	0.063	1.919	1.962	18
	(5, 6) (V, VI)	1.935	1.931	0.031	1.916	1.956	16
Re—O	(6), (III–V)	1.971	1.975	0.021	1.951	1.992	8
Os—O	(6), (II)	1.988	1.987	0.016	1.973	2.005	5
Ir—O	see MICPIR10 (2.062, 2.050), SCLIRA10 (2.004)
Pt—O	(4), (II)	1.996	2.003	0.020	1.978	2.010	5
Th—O	(8, 9), (IV)	2.321	2.335	0.026	2.301	2.344	7
U—O	(7, 8), (VI)	2.235	2.234	0.023	2.213	2.238	7

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.3.2.2 Alkoxy/aryloxy [μ₂-OC(sp²)]
O—C		1.330	1.331	0.029	1.315	1.344	68
Ti—O	see CIGVET (2.041, 2.080), CLPHTI (1.911, 2.121)
V—O	see BUVNUB (1.963, 2.269)
Fe—O	(5, 6), (I, III)	2.009	2.003	0.048	1.965	2.057	6
Co—O	(6), (II)	2.077	2.085	0.062	2.016	2.130	14
Ni—O	(4, 6), (II): all	2.003	2.010	0.072	1.982	2.054	14
	(6), (II)	2.031	2.039	0.041	1.988	2.061	12
Cu—O	(3–6, ^‡), (I, II): all	2.021	1.977	0.145	1.923	2.069	78	30
	(4–6, ^‡), (II): short (<2.14)	1.956	1.949	0.055	1.916	1.985	58
	: long (>2.26)	2.357	2.348	0.067	2.299	2.413	10
Mo—O	see BCATMO (2.038, 2.324), PXTCMO10 (2.048, 2.052)
Ru—O	see CIYTUZ01 (2.203, 2.211)
Cd—O	see PYXCDC (2.306, 2.317)
Re—O	see PHCORE (2.152, 2.149)
Hg—O	see PHGMQU (2.161, 2.790)
U—O	all BIHCUQ	2.522	2.531	0.033	2.497	2.548	6

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.4.1 Ketones (terminal, η^l-OCR₂, R = any C)
O—C		1.264	1.264	0.022	1.252	1.272	24
V—O	see DPKEVB (2.081)
Fe—O	see MEOBFE (1.997)
Ru—O	see ACSNRU (2.194)
Cd—O	(7), (II): all CIHNEM	2.283	2.285	0.009	2.276	2.289	6
Er—O	(7), (III): all MPYOER10	2.280	2.299	0.044	2.252	2.321	7
Re—O	see PXBURE (2.159)
Ir—O	see CEXLUM (2.234, 2.220)
U—O	(6, 7), (VI)	2.336	2.341	0.059	2.228	2.396	6

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.4.2 Urea [terminal, η^l-OC(NH₂)₂]								112
O—C		1.266	1.266	0.014	1.254	1.277	52
C—N		1.330	1.328	0.016	1.319	1.342	103
Sc—O	(8), (III): all URSCNI	2.105	2.099	0.021	2.089	2.126	4
Ti—O	see TIUREA01 (2.014)
Cr—O	(6), (III): all $[\hbox{Cr}[\hbox{OC}(\hbox{NH}_2)_2]_6^{3+}]$	1.971	1.973	0.007	1.964	1.976	8
Mn—O	see BOPWEI (1.985)
Co—O	(6), (II)	2.091	2.094	0.010	2.081	2.099	4
Cu—O	(6), (II)	2.127	2.130	0.022	2.105	2.148	5	82
Zn—O	see UREAZN (2.147, 2.073, 2.091)
Mo—O	see BOHYEC (2.135)
Pr—O	see ACURLB (2.479, 2.504)
Nd—O	see CEFHOK (2.472, 2.500)
U—O	(7), (VI)	2.356	2.360	0.034	2.332	2.382	21

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.5.1.1 Formate (η¹-O₂CH)
(M)O—C		1.257	1.260	0.022	1.249	1.270	22
C—O		1.234	1.230	0.021	1.220	1.250	22
Fe—O	see FEFRMT (2.167)
Ni—O	see CESGAI10 (1.936)
Cu—O		1.966	1.956	0.030	1.949	1.988	5
Zn—O	see AQNCZN (2.089)
Y—O		2.343	2.364	0.046	2.296	2.370	7
Cd—O	see AFNICD (2.284)
U—O		2.352	2.328	0.052	2.309	2.408	5

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.5.1.2 Formate (η²-O₂CH)
O—C	(1.253, 1.261, 1.188)
Cu—O	see CAXMIX (2.352)
Y—O	see CAVYON (2.414, 2.425)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.5.1.3 Formate (μ₂-O₂CH)
O—C		1.262	1.263	0.014	1.251	1.272	47
Cr—O	(6), (II)	2.021	2.023	0.005	2.015	2.026	8
Co—O	see COKCIQ (1.912)
Mo—O	(5, 6), (II): all	2.121	2.123	0.013	2.106	2.132	12
Ru—O	(6, ^‡), (0, II/III): all	2.042	2.026	0.046	2.021	2.033	14
	(6), (II/III)	2.024	2.023	0.007	2.020	2.030	12
Rh—O	see BIHJOR10 (2.040, 2.049)
Re—O	(6, III) all CLFORE10	2.041	2.053	0.026	2.012	2.058	6
Os—O	all BIYXAI	2.167	2.166	0.008	2.159	2.174	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.5.2.1 Acetate (terminal, η¹-O₂CMe)
(M)O—C		1.264	1.263	0.028	1.252	1.280	46
C—O		1.236	1.237	0.031	1.229	1.250	46
C—C		1.512	1.510	0.026	1.499	1.523	46
Cr—O	see ACETCR (2.306)
Fe—O	see CIRDAI (1.898)
Co—O	(4–6), (II)	1.990	1.970	0.059	1.947	2.049	10	8
Ni—O	see ACATEN (2.063, 2.080), NIAQAC03 (2.072)
Cu—O	(4–6), (II)	1.957	1.957	0.015	1.949	1.966	10	12
Zn—O	(4), (II)	1.966	1.967	0.019	1.947	1.984	4
Mo—O	see PNPMOA (2.208)
Rh—O	see CESYAA (2.342)
Pd—O	see AMXPPD (2.115), SFSTPD (2.164)
Ag—O	see CELJEI (2.686)
Cd—O	see ETNTCD (2.281)
W—O	(6, 7), (0, IV): all	2.124	2.125	0.100	2.030	2.214	6	30
Os—O	see BOWLII (2.018, 2.032)
Au—O	see CILYAX (2.063)
Hg—O	see ACHPHG (2.454, 2.410), PHHGAC01 (2.083)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.5.2.2 Acetate (chelating, η²-O₂CMe)								113
O—C		1.257	1.263	0.024	1.244	1.270	66
C—C		1.496	1.497	0.025	1.480	1.514	34
Co—O	see BIHYEW (2.086, 2.109)
Cu—O	(6), (II)	2.306	2.259	0.208	2.172	2.477	6	12
Ru—O	see ACMPRU, ACTFIR, MPRUAC (in range 2.173–2.279)
Rh—O	see AZBRHA10 (2.240, 2.219), BOXNEH (2.235, 2.162)
Cd—O	see ACCDSC10, CDACET (in range 2.303–2.544)
Pr—O	see ACURLB (2.538, 2.536)
Nd—O	see CEFHOK (2.527, 2.516)
Sm—O	see BEDZAL (2.513, 2.421)
Gd—O	see ACAQGD (in range 2.427–2.484)
Re—O	see ACTPRE (2.233, 2.197)
Os—O	see BOWLII (2.169, 2.127)
Hg—O	see ETACHG, TBPAHG10 (in range 2.244–2.666)
U—O	(7, 8), (VI): all	2.467	2.465	0.025	2.452	2.484	20

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.5.2.3 Acetate (μ₂-O₂CMe)
O—C		1.263	1.263	0.019	1.255	1.273	373
C—C		1.509	1.507	0.023	1.495	1.524	187
Cr—O	(5, 6), (II): all Cr $[\qbond]$ Cr	2.010	2.007	0.014	2.001	2.021	26	7
Co—O		1.927	1.926	0.014	1.915	1.941	6	8
Ni—O	see BAPHAB (2.033, 2.052)
Cu—O	(6), (II)	1.971	1.970	0.013	1.963	1.980	38	12
Mo—O	(5–7), (II–IV)	2.110	2.110	0.021	2.096	2.122	97
Tc—O	(5, 6), (II, III)	2.068	2.066	0.009	2.060	2.072	10
Ru—O	(6), (II, III)	2.036	2.020	0.033	2.013	2.062	22
Rh—O	(5, 6), (I–III)	2.038	2.035	0.025	2.026	2.046	97	83, 86
Pd—O	(5, 6), (I, II)	2.095	2.106	0.051	2.050	2.127	18
W—O	(6, 7), (II–IV)	2.092	2.089	0.029	2.072	2.111	22
Re—O	(5, 6), (III)	2.025	2.025	0.009	2.015	2.031	10
Os—O	see CESXUT, COHNUI (in range 2.005–2.223)
Pt—O	(6), (II): all	2.087	2.117	0.081	2.004	2.161	18	30
	: long (>2.075)	2.155	2.160	0.026	2.141	2.175	10
	: short (<2.025)	2.003	2.003	0.016	1.993	2.016	8

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.5.3.1 Alkylcarboxylates [terminal, η¹-O₂CC(sp³)]
(M)O—C		1.278	1.279	0.021	1.266	1.291	769
C—O		1.234	1.233	0.017	1.224	1.244	768
C—C		1.521	1.521	0.019	1.510	1.532	768
Ti—O	(6), (IV)	2.000	1.983	0.043	1.967	2.015	15
V—O	(6, 7), (III-V): all	2.019	2.006	0.042	1.991	2.035	36
	(6), (IV, V): excluding BUPCIY	2.002	2.003	0.017	1.990	2.010	23
Cr—O	(5, 6), (III, V): all	1.963	1.963	0.019	1.952	1.975	52	8
	(6), (III)	1.965	1.965	0.016	1.954	1.975	50
Mn—O	(6), (I–III): all	2.059	2.040	0.121	1.913	2.165	35
	(6), (II)	2.161	2.164	0.022	2.146	2.180	15
	(6), (III): all	1.974	1.913	0.114	1.903	2.013	17	86
	: excluding 2 > 2.23	1.937	1.909	0.050	1.902	1.998	15	86
Fe—O	(6, 7), (II, III): all	2.033	2.038	0.069	1.974	2.094	40
	(6), (III)	2.018	2.012	0.057	1.971	2.048	15
	(7), (III)	2.041	2.046	0.068	1.976	2.099	22
Co—O	(4–6), (II, III): all	1.938	1.911	0.071	1.896	1.942	195	8, 86
	(4), (II)	1.966	1.955	0.022	1.948	1.989	10
	(6), (II)	2.088	2.075	0.050	2.062	2.097	26
	(6), (III)	1.906	1.904	0.019	1.894	1.918	153
Ni—O	(4–6), (II, III): all	2.051	2.055	0.056	2.038	2.087	72
	(6), (II)	2.065	2.059	0.034	2.044	2.089	66
Cu—O	(4–6), (II, III): all	2.015	1.961	0.145	1.946	1.982	123	86, 114
	(4), (II)	1.948	1.947	0.026	1.931	1.964	25
	(5), (II): all	1.991	1.957	0.108	1.947	1.976	44	86
	: excluding 4 > 2.2	1.960	1.952	0.036	1.945	1.973	40
	(6), (II): all	2.074	1.977	0.184	1.957	2.205	51	30
	: short (<2.14)	1.962	1.967	0.024	1.947	1.978	36
	: long (>2.2)	2.342	2.351	0.106	2.303	2.401	15
Zn—O	(4–6), (II): all	2.038	2.050	0.059	1.978	2.079	29
	(4), (II)	1.946	1.952	0.022	1.923	1.963	4
	(5), (II)	2.018	1.997	0.059	1.967	2.080	8
	(6), (II)	2.070	2.071	0.034	2.048	2.092	17
Nb—O	see CNBPAC (2.161)
Mo—O	(5–8), (0–VI): all	2.130	2.118	0.063	2.093	2.151	38
Tc—O	(6), (-): all	2.050	2.025	0.070	2.011	2.063	8	86
	: excluding PCLTCA10 (2.215)	2.027	2.019	0.023	2.009	2.036	7
Ru—O	(6), (II)	2.091	2.095	0.014	2.086	2.102	8
Rh—O	(6), (III)	2.023	2.027	0.018	2.003	2.038	9
Pd—O	(4, 5), (II)	2.023	2.019	0.024	2.006	2.029	16
Cd—O	(6, 7), (II)	2.372	2.358	0.048	2.338	2.389	8
La—O	(10), (III)	2.503	2.497	0.019	2.486	2.526	6
Ce—O	(9), (III)	2.483	2.480	0.021	2.472	2.489	7
Pr—O	(9), (III): all BIFYUK	2.458	2.447	0.027	2.441	2.484	4
Nd—O	see ODACND (2.428)
Sm—O	(9), (III): all NSMEDT02	2.421	2.421	0.021	2.400	2.441	4
Eu—O	(9), (III)	2.394	2.395	0.096	2.317	2.470	5
Gd—O	(9), (III): all BIFZEV	2.399	2.395	0.022	2.381	2.421	4
Dy—O	(8, 9), (III)	2.363	2.365	0.064	2.295	2.415	8
Er—O	see HENAEB (2.240, 2.262, 2.265)
Yb—O	(8, 9), (III)	2.286	2.282	0.035	2.252	2.308	10
W—O	see CIFNIO (2.132)
Os—O	see BABWAC (2.038), FATBOS10 (2.207)
Ir—O	(6), (III)	2.066	2.055	0.032	2.042	2.093	6
Pt—O	(4, 6), (II, IV)	2.031	2.014	0.040	2.003	2.045	13
Hg—O	see FAHGME10 (2.064), PHGTFA (2.121)
Th—O	(9, 10), (IV)	2.402	2.402	0.012	2.393	2.413	5
U—O	(7), (VI)	2.356	2.359	0.032	2.325	2.366	7

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.5.3.2 Alkylcarboxylates [chelating, η²-O₂CC(sp³)]
O—C		1.256	1.256	0.013	1.246	1.263	44
C—C		1.516	1.521	0.024	1.501	1.529	22
Ti—O	(8), (IV)	2.163	2.163	0.005	2.161	2.166	6
Co—O	see BIYHOG (2.145, 2.223)
Cu—O	see CEJPEM (2.528, 2.037)
Zn—O	(6), (II)	2.205	2.191	0.072	2.162	2.244	6
Mo—O	see FAMPMO (2.296, 2.338)
Cd—O	see ABPENC (2.262, 2.716), BAYDIO (2.378, 2.350)
Nd—O	see BODZEZ (2.535, 2.510)
Sm—O	see BOTWUC (2.495, 2.455; 2.495, 2.585)
U—O	see BIMAOU10 (2.526, 2.578)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.5.3.3 Alkylcarboxylates μ₂-O₂CC(sp³)]
O—C		1.258	1.257	0.020	1.246	1.270	434
C—C		1.519	1.519	0.026	1.504	1.536	222
Cr—O	(6), (II)	2.018	2.017	0.003	2.015	2.021	5
Cu—O	(6), (-)	1.966	1.968	0.014	1.956	1.975	95
Nb—O	all CIPNEU	2.151	2.145	0.014	2.141	2.163	10
Mo—O	(5, 6, ^‡), (-)	2.114	2.114	0.018	2.104	2.128	126
Ru—O	(6), (-)	2.134	2.132	0.009	2.128	2.142	8
Rh—O	(6), (-)	2.035	2.034	0.010	2.029	2.041	90	115
Pd—O	all BXCAPD	2.040	2.039	0.022	2.021	2.061	4
Cd—O	all CIFGON	2.266	2.259	0.020	2.251	2.289	8
Nd—O	all CIGRAL	2.422	2.422	0.018	2.406	2.439	4
W—O	(5, 6, ^‡)	2.092	2.091	0.016	2.082	2.103	66
Re—O	see OCPPRE (2.093, 2.097)
Os—O	(6), (III)	2.014	2.015	0.010	2.007	2.021	8

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.5.4.1 Carboxylates [η¹-O₂CC(sp²)]
(M)O—C		1.277	1.277	0.017	1.266	1.288	74
C—O		1.234	1.239	0.015	1.227	1.247	73
C—C(sp²)		1.508	1.507	0.014	1.499	1.513	74
V—O	see BIGFAY01 (1.896, 1.912)
Cr—O	see CAKCIA (1.946, 1.958)
Mn—O	see ABZAMN (2.187), ZEGPEG (2.111)
Co—O	see BELLEJ (2.130), CEBDIW (2.102), CUCOES (1.996), FSCUCO (1.941, 1.954)
Ni—O	(4, 6), (II): all	2.049	2.053	0.084	1.984	2.123	14
	(6), (II): mononuclear	2.100	2.118	0.044	2.053	2.135	9
Cu—O	(4–6, ^‡), (II): all	1.992	1.947	0.170	1.930	1.967	38	86
	(4), (II)	1.927	1.934	0.032	1.896	1.951	13
	(5), (II)	1.953	1.950	0.027	1.937	1.967	17
	(6), (II): excluding 3 > 2.45	1.964	1.954	0.041	1.931	2.007	4
Zn—O	(4, 6), (II)	2.033	2.010	0.053	1.989	2.090	5
Cd—O	see CITDEO (2.253)
Sm—O	see COSLEB (2.273), SALASM10 (2.488)
Er—O	See COSLIF (2.198)
Au—O	see CIYMEC (2.073, 2.074)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.5.4.2 Carboxylates [chelating, η²-O₂CC(sp²)]
O—C		1.266	1.265	0.019	1.253	1.278	39
C—C		1.481	1.482	0.022	1.474	1.493	20
Ti—O	all BUCBEG	2.148	2.150	0.009	2.138	2.155	4
Cu—O	see MESACV (1.976, 2.596)
Ru—O	see BAWZUU (2.118), BZCPRU (2.166, 2.130)
Cd—O	(7), (II): excluding CDMALD	2.409	2.427	0.058	2.351	2.445	10
La—O	see ALANIC (2.568, 2.646)
Nd—O	see BABNAT (2.529, 2.517), COSLAX (2.559, 2.512)
Sm—O	see COSLEB (2.467, 2.521), SMNICD (2.486, 2.567)
Dy—O	see AMAQDY (2.353, 2.517; 2.418, 2.502)
U—O	see BAWRIA (2.452, 2.543)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.5.4.3 Carboxylates [μ₂-O₂CC(sp²)]
O—C		1.267	1.267	0.018	1.252	1.280	97
C—C		1.493	1.492	0.024	1.476	1.508	49
Co—C	(6), (II): excluding PYMCXC	2.037	2.030	0.021	2.020	2.056	8	8
Cu—O	(4–6, ^‡), (I, II)	1.972	1.972	0.016	1.964	1.979	28
Zn—O	see ACBZNM (1.979, 2.018)
Mo—O	(5, 6), (II, III)	2.110	2.107	0.017	2.099	2.119	22
Rh—O	(6), (II)	2.038	2.036	0.011	2.027	2.050	16
W—O	(5), (II)	2.079	2.079	0.012	2.070	2.087	12
Re—O	(5, 6), (II)	2.015	2.016	0.010	2.006	2.025	8

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.5.5.1 Carbamates (chelating, η²-O₂CNR₂)
O—C		1.297	1.298	0.002	1.296	1.299	4
C—N	(1.298, 1.319)
N—C		1.462	1.457	0.011	1.456	1.473	4
Ta—O	all BOBXUL	2.131	2.131	0.018	2.114	2.147	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.5.6.1 O-Thiocarbamates [terminal, η¹-OC(S)NR₂] (see also 9.6.2.1)
(None)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.5.6.2 Thiocarbamates (chelating, η²-OSCNR₂) (see also 9.6.2.2)
O—S		1.274	1.274	0.010	1.267	1.281	15
S—C		1.728	1.731	0.009	1.725	1.733	15
C—N		1.336	1.338	0.014	1.325	1.345	15
N—C	excluding 1 > 1.6	1.478	1.474	0.027	1.461	1.496	29
Ti—O	see EMTCTJ (2.088, 2.077, 2.075)
Co—O	see TMTCPC (2.157)
Zr—O	see BUWMAH (2.249), EMTCZR (2.180, 2.200)
U—O		2.408	2.402	0.040	2.381	2.439	5

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.5.7.1 O-Thiocarboxylates [terminal, η¹-OC(S)R] (see also 9.5.2.1)
(None)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.5.7.2 Thiocarboxylates (chelating, η²-OSCR) (see also 9.5.2.2)
O—C		1.236	1.246	0.035	1.234	1.255	9
S—C		1.705	1.702	0.012	1.698	1.716	9
C—C		1.521	1.522	0.025	1.501	1.531	9
Ni—O	(6), (II)	2.142	2.135	0.035	2.119	2.171	9

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.5.7.3 Thiocarboxylates (μ₂-OSCR) (see also 9.5.2.3)
O—C		1.255	1.255	0.025	1.239	1.267	15
S—C		1.694	1.696	0.018	1.681	1.703	15
C—C		1.510	1.501	0.028	1.487	1.535	15
Mn—O	(7), (II)	2.315	2.313	0.036	2.283	2.342	8
Rh—O	see TACDRH10 (2.099, 2.114)
Ag—O	see CEFMIJ (2.510)
Eu—O	all BOTVIP10	2.511	2.508	0.032	2.483	2.541	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.6.1.1 Oxalate [chelating, η²(O₂C)₂]
(M)O—C		1.279	1.279	0.015	1.269	1.288	222
C—C		1.546	1.546	0.018	1.536	1.556	111
C—O		1.224	1.224	0.015	1.216	1.234	222
Ti—O	(6–8), (III, IV): all	2.041	2.031	0.054	1.992	2.086	30	81
V—O	(5, 6), (IV, V): all	2.083	2.036	0.090	2.015	2.164	18	81, 86
	: short (<2.1)	2.020	2.022	0.021	2.006	2.036	11	44
Cr—O	(6), (III)	1.969	1.975	0.019	1.959	1.981	24
Mn—O	(6), (III): all ZZZCCG10	2.000	2.018	0.077	1.911	2.074	6
Co—O	(6), (III)	1.911	1.912	0.011	1.903	1.920	22
Cu—O	(4–6), (II)	1.951	1.949	0.018	1.934	1.964	29
Y—O	(8), (III): all CIBZAO	2.335	2.340	0.018	2.329	2.344	6
Zr—O	(8), (IV)	2.202	2.195	0.034	2.183	2.219	10
Mo—O	(6, 7, ^‡), (-)	2.119	2.101	0.038	2.092	2.140	22
Rh—O	(6), (III): all CAZCIP	2.021	2.021	0.015	2.006	2.037	6
Nd—O	all CICBOF	2.474	2.457	0.042	2.448	2.518	4
Gd—O	all CICBUL	2.429	2.406	0.055	2.395	2.485	4
Er—O	(8), (III): all CIBYOB	2.333	2.336	0.011	2.321	2.342	6
Hf—O	(8), (IV): all KOXHFP10	2.190	2.184	0.022	2.171	2.211	8
Re—O	(6), (IV): all KXOXRE	2.063	2.060	0.029	2.038	2.085	8
Pt—O	(^‡), (-)	2.003	1.999	0.014	1.990	2.019	8
U—O	(7, 10), (IV, VI)	2.412	2.428	0.031	2.373	2.436	10

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.7.1.1 Acetylacetonates [chelating, η²-RC(O)CRC(O)R]^§
O—C_α		1.270	1.270	0.019	1.258	1.280	484
C_α—C_β		1.387	1.387	0.020	1.377	1.397	488
C_α—R		1.518	1.514	0.025	1.501	1.533	489
Sc—O	(6), (III): all ACACSC	2.070	2.068	0.010	2.061	2.080	6
Ti—O	(6), (IV)	1.979	1.964	0.052	1.941	2.032	12	81
V—O	(5, 6), (III, IV)	1.981	1.984	0.015	1.966	1.993	8	107
Cr—O	(6), (III)	1.959	1.961	0.008	1.954	1.965	39	7
Mn—O	(5, 6), (II, III)	2.034	2.026	0.119	1.915	2.145	20	30
	(6), (II)	2.158	2.149	0.021	2.144	2.180	8
	(5, 6), (II): all	1.952	1.924	0.075	1.910	1.940	12
	: excluding 2 > 2.1	1.921	1.916	0.013	1.910	1.933	10
Fe—O	(6), (II, III)	2.002	1.999	0.024	1.980	2.025	8
Co—O	(6), (II, III)	1.939	1.894	0.074	1.884	2.012	64	86, 87
	(6), (II)	2.033	2.034	0.035	2.003	2.062	23
	(6), (III)	1.887	1.887	0.013	1.879	1.892	41
Ni—O	(4, 6), (II): all	1.999	2.015	0.050	1.969	2.035	10	9
	(6), (II)	2.020	2.021	0.023	2.000	2.044	8
Cu—O	(4–6), (II): all	1.961	1.947	0.068	1.920	1.980	42	86, 116
	(4, 5), (II): excluding 1 > 2.1	1.931	1.922	0.032	1.906	1.953	22
Zn—O	see ZNACAT10 (2.002, 1.971)
Y—O	all CYSFAC10	2.324	2.318	0.017	2.311	2.341	4
Zr—O	(8, 9), (IV)	2.164	2.161	0.066	2.108	2.228	16	109, 116
	(8), (IV)	2.123	2.118	0.041	2.084	2.160	10
	(9), (IV)	2.232	2.238	0.033	2.205	2.254	6
Nb—O	(8), (IV): all PIVMNB10	2.132	2.133	0.009	2.125	2.142	8
Mo—O	(5–7), (II–V): all	2.096	2.077	0.052	2.068	2.110	24	81
		2.087	2.075	0.034	2.068	2.105	23	44
Tc—O	all TCACTC01	2.015	2.013	0.006	2.010	2.021	4
Ru—O	all BISKOD	2.031	2.036	0.011	2.019	2.041	8
Rh—O	(4–6, ^‡), (I, III)	2.041	2.046	0.032	2.014	2.061	32
Pd—O	(4), (II)	2.049	2.061	0.051	2.002	2.092	49	30, 109
		2.007	1.995	0.048	1.973	2.024	18
		2.073	2.077	0.035	2.059	2.096	31
Cd—O	see CAYJAN (2.223, 2.274)
La—O	all AQACAL	2.472	2.480	0.024	2.453	2.489	6
Pr—O	all CAZGUF	2.443	2.459	0.032	2.425	2.460	6
Sm—O	all CAZHAM	2.392	2.401	0.027	2.380	2.407	6
Eu—O	(7, 8), (III)	2.348	2.354	0.024	2.325	2.364	24
Er—O	(6, 8), (III)	2.285	2.295	0.073	2.221	2.351	10	116
	(6), (III)	2.212	2.214	0.046	2.167	2.255	4
	(8), (III)	2.333	2.331	0.038	2.301	2.368	6
Re—O	all PASACR	2.007	2.009	0.009	1.997	2.015	4
Ir—O	(4, 6), (I, III)	2.064	2.041	0.063	2.021	2.099	6
Pt—O	(4, 6), (II, IV)	2.042	2.052	0.039	1.996	2.067	10
Th—O	all TACTHB	2.402	2.405	0.019	2.391	2.416	8
U—O	(7), (VI)	2.387	2.375	0.031	2.362	2.414	26

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.8.1.1 o-Quinones (chelating, η²-o-O₂C₆R₄)^§								117
O—C_α	all	1.323	1.339	0.037	1.291	1.348	132	30
		1.270	1.274	0.022	1.252	1.287	38	118, 119
		1.343	1.345	0.011	1.338	1.350	93	120
C_α—C_α′	all	1.423	1.413	0.042	1.402	1.429	66
		1.439	1.438	0.014	1.429	1.452	12	118, 119
	μ-chloranilates	1.529	1.530	0.009	1.522	1.536	7
		1.404	1.404	0.017	1.400	1.415	47	120
Ti—O	(6), (IV)	1.978	1.980	0.048	1.940	2.009	12	120
V—O	(5, 6), (III, IV)	1.973	1.966	0.036	1.942	1.999	18	118, 119
Cr—O	(6), (0, III)	1.962	1.952	0.023	1.944	1.986	14	118, 119
Mn—O	(6), (IV)	1.880	1.872	0.034	1.853	1.916	4
Fe—O	(6), (III)	2.026	2.024	0.023	2.011	2.037	20	119, 120
Ni—O	(6), (II)	2.068	2.063	0.043	2.027	2.107	6	118, 119
Cu—O	see BAKPUY (1.945, 2.454), PMECAC (1.955, 2.196)
Mo—O	(6, ^‡), (-): excluding PHQUMO	1.992	1.955	0.062	1.940	2.050	18	8, 120
Rh—O	(5), (I, III)	2.031	2.037	0.026	2.003	2.051	4
Pd—O	see TCATPD (2.030, 2.039)
Ce—O	see CECATI (2.357, 2.362)
Pr—O	all CAZZAE	2.488	2.490	0.016	2.471	2.501	6
Hf—O	see HFCATH (2.194, 2.220)
Ir—O	see BRNPIR (2.008, 1.905)
Pt—O	see CINREW (2.017, 1.994)
Th—O	see CATETH (2.418, 2.421)
U—O	see SCATUR (2.362, 2.389)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.8.2.1 o-Tropolonates (chelating, η²-o-O₂C₇R₅)^§
O—C_α		1.286	1.286	0.016	1.274	1.299	26
C_α—C_α′		1.464	1.465	0.009	1.459	1.469	14
Sc—O	(6, 8), (III)	2.189	2.179	0.064	2.163	2.209	7
Co—O	see COTROP (2.050, 2.068), COTROQ (1.888, 1.885, 1.882)							87
Cu—O	see CUTROP01 (1.913, 1.914)
Rh—O	see TROPRH (2.034, 2.081)
Th—O	(9), (IV): all TROPTH	2.450	2.444	0.018	2.438	2.463	8
U—O	see TROPUE (2.393, 2.373)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.9.1.1 Carbonate (chelating, η²-CO₃)								121
(M)O—C		1.300	1.301	0.031	1.297	1.324	16
C—O		1.237	1.237	0.022	1.215	1.261	8
Co—O	(6), (III): excluding CAIMCO	1.905	1.906	0.015	1.893	1.916	6
Zr—O	see COMPEZ (2.198)
Pt—O	see BUPPUX (2.059)
U—O	all BANDAV	2.428	2.431	0.021	2.407	2.446	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.9.1.2 Carbonate (μ₂-CO₃)								121
(M)O—C		1.264	1.256	0.027	1.252	1.288	9
C—O		1.278	1.283	0.027	1.250	1.300	4
Cu—O	(5), (II)	1.991	1.978	0.036	1.972	2.038	7
Pt—O	see CIXHEW (2.085)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.9.1.3 Alkyl carbonates μ-O₂COR)
O—C		1.272	1.273	0.019	1.254	1.289	4
C—O(R)	(1.294, 1.328)
Mo—O	(all BCBXMO)	2.127	2.127	0.015	2.113	2.141	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.10.1.1 Amine oxides (η¹-ONR₃)
O—N	(1.409, 1.408)
Cu—O	see AQOXCU (1.948)
Re—O	see BUTTOZ (2.149)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.10.2.1 Pyridine N-oxides (terminal, C₅R₅NO)
O—N		1.335	1.333	0.017	1.324	1.345	49
N—C		1.352	1.347	0.022	1.340	1.362	96
Mn—O	see BIVWIM (2.155)
Fe—O	see FEHPYO (2.111)
Co—O	(6), (II)	2.086	2.090	0.035	2.050	2.119	5
Ni—O	(6), (II)	2.054	2.049	0.022	2.036	2.076	4
Cu—O	(4–6), (II): all	2.066	1.976	0.171	1.949	2.115	18	86
	(4–6), (II): short (<2.10)	1.987	1.958	0.067	1.946	2.077	14
Zn—O	(5, 6), (II)	2.076	2.076	0.031	2.049	2.103	4
Cd—O	see CITDEO (2.329)
Th—O	(9), (IV)	2.422	2.419	0.040	2.392	2.438	10
U—O	(7), (VI)	2.329	2.331	0.017	2.311	2.344	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.10.3.1 Hydroxamates [η¹-ON(=CR₂)R]^§
O—N		1.365	1.366	0.017	1.350	1.377	54
N=C		1.315	1.311	0.018	1.303	1.322	55
N—C		1.456	1.462	0.017	1.442	1.469	55
Cr—O	see CRMTBH (1.965, 1.967, 1.976)
Mn—O	see MNMTBH (1.959, 1.941, 2.132)
Fe—O	(6), (III)	1.981	1.985	0.023	1.957	2.001	12
Co—O	see COMTBH (1.937, 1.925, 1.943)
Mo—O	(5, 6), (VI)	2.047	2.025	0.053	2.010	2.065	15
Rh—O	see BIWLAU (2.037)
Hf—O	(8), (IV)	2.132	2.130	0.023	2.117	2.143	8
Pt—O	see CACMIC (2.059)
Th—O	(8), (IV)	2.352	2.342	0.023	2.336	2.373	5
U—O	see CIBHAW (2.418, 2.379)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.11.1.1 Nitrate (terminal, η¹-NO₃)								104
(M)O—N		1.267	1.266	0.030	1.250	1.260	64
N—O		1.227	1.229	0.023	1.216	1.240	127
Ti—O	see BASSAP (2.059, 2.086)
Mn—O	see MALCDB (2.251), TNBPMN (1.865)
Fe—O	see CNOFEA (1.973)
Co—O	(5, 7), (II)	2.103	2.102	0.029	2.080	2.127	5
Ni—O	(6), (II)	2.082	2.061	0.055	2.040	2.135	5
Cu—O	(4–6, ^‡), (II)	2.285	2.284	0.259	2.027	2.532	26
	(4, 5), (II): short (<2.055)	1.996	1.996	0.037	1.964	2.037	9
Zn—O	see CATKOX (2.179)
Rh—O	(6), (III)	2.117	2.124	0.037	2.078	2.148	4
Pd—O	see CAYXAB (1.995, 1.989)
Ag—O	see MCYTAG10 (2.469), NTPAAG (2.259)
Cd—O	(6, 7), (II)	2.385	2.402	0.056	2.317	2.437	6
Nd—O	see BAWDIM10 (2.525)
Pt—O	(4, 6), (II, III)	2.143	2.168	0.063	2.098	2.174	5
Hg—O	see PYHGAN10 (2.702, 2.723)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.11.1.2 Nitrate (chelating, η²-NO₃)								104
(M)O—N		1.255	1.259	0.027	1.239	1.273	290
N—O		1.217	1.218	0.016	1.207	1.226	147
Sc—O	all URSCNI	2.351	2.336	0.061	2.303	2.415	4
Ti—O	all BEYGAN	2.146	2.145	0.036	2.113	2.179	4
Mn—O	see TNBPMN (2.102, 2.386; 2.225, 2.183)
Fe—O	see CALGAX (2.323, 2.019)
Co—O	(6, 7), (II): many asymmetric	2.212	2.200	0.131	2.108	2.297	18
Ni—O	(6), (II)	2.166	2.156	0.052	2.132	2.210	12
Cu—O	(5, 6, ^‡), (II): all	2.298	2.416	0.276	1.993	2.554	44	12, 30
	: short (<2.05)	1.993	1.992	0.021	1.985	2.007	18
	: long (>2.17)	2.509	2.532	0.132	2.455	2.575	26
Zn—O	see CATKOX (2.228, 2.253), CEMWEW (2.301, 2.500)
Zr—O	(8, 9), (IV)	2.310	2.302	0.043	2.277	2.320	10
Rh—O	see NCPRHB (2.188, 2.184)
Ag—O	(4, 5), (I): many asymmetric	2.555	2.552	0.102	2.462	2.658	6
Cd—O	(6–8), (II): many asymmetric	2.460	2.408	0.159	2.342	2.596	18
La—O	(11, 12), (III)	2.664	2.665	0.051	2.627	2.686	36
Ce—O	(10, 11), (III, IV)	2.629	2.641	0.096	2.551	2.699	10	45, 87
Nd—O	(10–12), (III)	2.584	2.576	0.063	2.549	2.613	32
Sm—O	all SMHXAZ10	2.543	2.528	0.055	2.503	2.578	12
Eu—O	(10, 11), (III)	2.504	2.498	0.050	2.477	2.513	12
Gd—O	(9, 10), (III)	2.483	2.490	0.047	2.446	2.520	10
Hg—O	(5, 6, 8), (II)	2.558	2.675	0.270	2.245	2.771	12
Th—O	(12), (IV)	2.586	2.572	0.040	2.560	2.598	16	122
U—O	(8), (VI)	2.528	2.527	0.027	2.509	2.538	24	122

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.11.1.3 Nitrate (μ₂-NO₃)								104
(M)O—N		1.257	1.258	0.023	1.240	1.279	12
N—O		1.229	1.227	0.017	1.215	1.241	6
Cu—O	see CERCUX (2.790, 2.534), COLDOW (2.331, 2.421), NTPHCU (2.335, 1.995)							12
Ag—O	see CIXYAJ (2.381, 2.481)
Hg—O	see BIPYHG (2.705, 2.535)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.12.1.1 O-Nitrite (terminal, η¹-ONO) (see also 4.21.1)								103, 104
(M)O—N		1.293	1.293	0.028	1.265	1.312	6
N—O		1.196	1.197	0.035	1.174	1.223	7
Cr—O	see NTPYCR (1.963)
Co—O	see EINICI (1.915)
Ni—O	see HPNONI (2.112), NMEDNI10 (2.114)							9
Cu—O	see BPNICU (2.074), CEZNIE (1.969)
Zn—O	see BEKPUC (2.220)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.12.1.2 O-Nitrite (η²-O₂N) (see also 4.21.1)								103, 104
O—N		1.247	1.249	0.019	1.235	1.258	29
Ni—O	(6), (II)	2.151	2.143	0.020	2.136	2.173	6
Cu—O	(6), (II): all	2.272	2.277	0.217	2.057	2.466	10	30
	: short (<2.25)	2.081	2.072	0.083	2.007	2.160	5
	: long (>2.35)	2.463	2.462	0.090	2.388	2.539	5
Zn—O	(6), (II): all	2.221	2.251	0.145	2.072	2.331	13	30
	: short (<2.1)	2.063	2.072	0.024	2.046	2.077	5
	: long (>2.2)	2.319	2.298	0.085	2.254	2.356	8

Bond	Substructure (coordination number, oxidation state, comment)	Note^†
5.13.1 Dioxygen (terminal, η¹-O₂)		123, 124
O—O	(1.301, 1.276, 1.283)	118
Co—O	see FSMICO (1.881), MESOCO (1.888), OAMSCO (1.885)	8

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.13.2 Dioxygen (η²-O₂)								123–125
O—O		1.460	1.463	0.026	1.442	1.472	44	120
Ti—O	(5, 6), (IV)	1.852	1.850	0.024	1.832	1.867	10	120, 126
V—O	(5, 6), (IV–V)	1.895	1.884	0.034	1.868	1.913	22	86, 120
Co—O	see MPASCO (1.862, 1.868)							8
Nb—O	(5, 6), (V)	1.980	1.980	0.017	1.969	1.985	8	120
Mo—O	(5, 6), (VI)	1.932	1.929	0.019	1.915	1.951	36	77, 120
Rh—O	(5), (I)	2.034	2.026	0.033	2.009	2.067	4
Ir—O	(5), (I)	2.058	2.057	0.020	2.039	2.078	4
U—O	see BANDAV (2.219, 2.250)

Bond	d	m	σ	q_l	q_u	n	Note^†
5.13.3 Dioxygen (μ₂-O₂)							125
O—O	1.482	1.487	0.019	1.463	1.496	4	120
Co—O	1.894	1.889	0.018	1.882	1.908	5	120

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.13.4 Peroxy (OOR)								125
O—O	excluding CEMMIQ (1.215)	1.467	1.465	0.023	1.445	1.489	5
V—O(η²)	see CAMXOD (1.872, 1.999)
Co—O(η¹)	see CUMPCO (1.897), SCQUCO (1.854)							8
Pt—O(η¹)	see BOVLED (2.032), BULTEH (2.051), CEMMIQ (1.989)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.14.1.1 Tertiary phosphine oxide (terminal OPR₃)
O—P		1.506	1.505	0.018	1.496	1.522	28
P—C		1.791	1.794	0.026	1.777	1.807	87
Mn—O	see CONTEE (2.084, 2.147)
Co—O	see BIRXIJ (1.990), CLTPOC01 (1.940)
Cu—O	(4, ^‡), (II)	1.947	1.948	0.013	1.934	1.959	5
Zn—O	see BIJWEW (1.966), CLPOZN (1.983)
Nb—O	see COJYEF (2.135)
Rh—O	see CXPORH (2.049)
Ce—O	see NTPOCE (2.215, 2.222)
W—O	see CXPHOW (2.163, 2.175), PMYPCW (2.198)
Re—O	see CADMAV (2.092)
U—O	(6–8), (IV, VI): excluding CAMCUO	2.279	2.265	0.049	2.243	2.321	10

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.15.1.1 Phosphate (chelating, η²-PO₄)
(None)								104

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.15.1.2 Hydrogenphosphate (μ₂-PO₄H)
Mo—O	see PYMOPH (2.001, 2.007)
Pt—O	see CAJFAU (1.987–2.020)

Bond	d	m	σ	q_l	q_u	n	Note^†
5.15.1.3 Alkylphosphates (PO₄R)
(M)O—P	1.519	1.521	0.016	1.511	1.534	8
Co—O	1.963	1.964	0.033	1.931	1.994	4	8
Cd—O	2.238	2.252	0.046	2.189	2.273	4

Bond	Substructure (coordination number, oxidation state, comment)	Note^†
5.16.1.1 Dialkylphosphinates (η¹-O₂PR₂)		104
(M)O—P	(1.506)
P—O	(1.508)
P—C	(1.834, 1.778)
Mn—O	see AMPMNC (2.140)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.16.1.2 Dialkylphosphinates (μ₂-O₂PR₂)
O—P		1.509	1.512	0.013	1.505	1.519	23
P—O		1.798	1.801	0.017	1.788	1.808	24
Mn—O	all AMMPMN	2.163	2.155	0.037	2.133	2.204	4
Cu—O	(4, 5), (II)	1.919	1.918	0.010	1.914	1.923	14
Zn—O	see BISCEL (1.926)
Re—O	all DPINRE	2.167	2.153	0.034	2.147	2.202	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.17.1.1 O-Dialkyl sulfoxide (terminal, η¹-OSR₂) (see also 9.16.1)								127
O—S		1.525	1.520	0.021	1.516	1.621	40
S—C		1.787	1.788	0.020	1.775	1.799	77
Fe—O	(6), (III)	2.016	2.012	0.013	2.006	2.029	5
Cu—O	see CEBREG (2.525), TMSCCU (1.945, 1.950)
Mo—O	(6), (-)	2.256	2.258	0.082	2.202	2.335	12	87
Ru—O	see BESXRU (2.051), CDMSOR (2.142)
Rh—O	see BEGFEY (2.234, 2.262), MSORHB (2.240)							82
Cd—O	see BEGNAC (2.291)
Eu—O	see MTXPVE (2.404)
Re—O	see ACMRHD (2.302)
Pt—O	see BINJEN (2.126)
Hg—O	see DMSOHG (2.318, 2.320; 2.377, 2.576)
Th—O	see CPHSTH (2.459, 2.460)
U—O	see BOZDID (2.432), CEMCUS (2.317), FDMSON (2.352)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.18.1.1 Sulfate (terminal, η¹-SO₄)								104
(M)O—S		1.479	1.479	0.022	1.459	1.501	9
S—O		1.465	1.463	0.025	1.457	1.482	27
Mn—O	see AQSUMN (2.129)
Cu—O	(5), (II): short; see AXEXAC (1.948), PYRCUD (1.909), TIMCUS (2.015)
	(5, 6), (II): long; see AENCUS (2.492), DAPRCX (2.496)
Th—O	see BOHPUJ (2.378)
U—O	see BEMPOY10 (2.377), TURURS01 (2.408)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.18.1.2 Sulfate (chelating, η²-SO₄)
(None)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.18.1.3 Sulfate (μ₂-SO₄)
(M)O—S		1.507	1.500	0.031	1.476	1.538	10
S—O		1.457	1.459	0.023	1.437	1.478	10
Fe—O	see CNOFEB (1.983)
Cu—O	see HETXCU (2.441)
Cd—O		2.407	2.391	0.087	2.333	2.497	4
Pt—O	all BINJEN	2.010	2.009	0.010	2.005	2.015	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.18.1.4 Sulfate (μ₃-SO₄)
(M)O—S		1.486	1.492	0.014	1.475	1.492	9
Co—O	see EFASCO01 (2.005)
Cu—O	see COLDUC (2.168, 2.060, 2.346)
U—O	see URSDUR03 (2.374, 2.389)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.19.1.1 Alkyl sulfonates (terminal, η¹-OSO₂R)
(M)O—S		1.453	1.450	0.015	1.443	1.456	8
S—O		1.446	1.449	0.021	1.432	1.464	16
S—C		1.785	1.780	0.022	1.767	1.806	8
Fe—O	see CAWTAV (2.007)
Cu—O	(6), (II)	2.358	2.356	0.022	2.338	2.380	4
Pd—O	see FMSEPD (2.272)
Au—O	see MAUFMS (2.201)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.19.1.2 Alkyl sulfonates [chelating, η²-O₂S(O)R]
(None)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.19.1.3 Alkyl sulfonates [μ-O₂S(O)R]
(M)O—S		1.452	1.452	0.013	1.440	1.465	8
S—O		1.452	1.452	0.010	1.443	1.462	4
S—C		1.784	1.780	0.034	1.754	1.819	4
Cu—O(μ₃)	see CAWJAL (2.068, 2.049), COMMAS (2.060, 2.385)
Cd—O(μ₂)	see CAMSOB (2.404, 2.412)
U—O(μ₂)	see URMSUL (2.363, 2.399)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.19.2.1 Alkyl sulfites (terminal, η¹-SO₂R)
O—S	(1.501, 1.533)
Fe—O	see FEBUTS10 (2.004)
Cu—O	see PYSLCU (1.957)

Bond	Substructure (coordination number, oxidation state, comment)	Note^†
5.20.1 O-Sulfur dioxide (η¹-OSO) (see also 9.14.1)		104
O—S	(1.448)
S—O	(1.410)
Mn—O	see CONTEE (2.282)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.21.1.1 Perchlorate (terminal, η¹-ClO₄)								128
(M)O—Cl		1.430	1.437	0.026	1.409	1.447	33
Cl—O		1.407	1.414	0.031	1.393	1.429	99
Co—O	see PNENCO10 (2.360)
Ni—O	see ZEGGET (2.221, 2.235)
Cu—O	(4–6), (I, II)	2.496	2.517	0.119	2.425	2.568	26	91
	(5, 6), (II)	2.508	2.532	0.115	2.485	2.570	24	91
La—O	see APXLAP (2.494)
Sm—O	see HBHOSM (2.364)
Hg—O	see OTPCHG (2.726), TTHPHG (2.757)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.21.1.2 Perchlorate (η²-ClO₄)
(M)O—Cl		1.437	1.450	0.029	1.406	1.462	5
Cl—O		1.397	1.401	0.030	1.475	1.418	5
Ag—O	see CAMROX (2.291, 2.754)
La—O	see APXLAP (2.683, 2.291)
Sm—O	see HBHOSM (2.642)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.21.1.3 Perchlorate (μ₂-ClO₄)
(M)O—Cl		1.400	1.417	0.055	1.359	1.436	6
Cu—O	see BAMCIB10 (2.541, 2.569), OXMCUA (2.552, 2.428)
Ag—O	see BUZMUE (2.581, 2.342)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.22.1 Aqua (terminal OH₂)
Ti—O	(6–8), (III–IV)	2.066	2.063	0.052	2.024	2.122	8
V—O	(6), (-): all	2.129	2.063	0.131	2.013	2.250	14	30
	: short (<2.1)	2.024	2.025	0.030	1.996	2.047	8	44
	: long (>2.2) (trans to O)	2.268	2.260	0.048	2.228	2.317	6	129
Cr—O	(6, 7), (-): all	1.997	1.979	0.070	1.955	2.007	33	86
	: excluding 5 > 2.06	1.997	1.986	0.052	1.966	2.008	28	85
	: excluding Cr^II	1.987	1.982	0.036	1.965	2.003	26
Mn—O	(6, 7), (-): all	2.189	2.183	0.040	2.162	2.216	88	130
Fe—O	(6, 7), (-): all	2.085	2.108	0.066	2.043	2.135	29
	excluding MAZCOC	2.099	2.109	0.046	2.054	2.136	27
Co—O	(4–7), (-): all	2.085	2.090	0.064	2.059	2.123	121
	excluding TAZOCO	2.081	2.090	0.055	2.058	2.122	119	91
Ni—O	(6, 7), (-): all	2.079	2.078	0.038	2.050	2.105	126	9
Cu—O	(4–6), (-): all	2.186	2.208	0.215	1.965	2.355	219	30
	(4), (II)	1.942	1.946	0.016	1.931	1.954	10
	(5), (-): all	2.209	2.257	0.187	2.000	2.344	116
	: short (<2.08)	1.986	1.974	0.038	1.961	2.010	41
	: long (>2.14)	2.331	2.316	0.103	2.259	2.372	75
	(6), (-): all	2.189	2.125	0.246	1.960	2.408	87	30
	: short (<2.01)	1.963	1.960	0.019	1.950	1.973	42
	: long (>2.12)	2.399	2.399	0.154	2.275	2.520	45
Zn—O	(4–7), (-): all	2.090	2.092	0.061	2.051	2.137	56
	(4), (-)	2.006	2.001	0.017	1.994	2.020	5
	(5), (-)	2.078	2.091	0.079	2.007	2.159	7
	(6), (-)	2.097	2.093	0.049	2.059	2.145	40
Y—O	(7–9)	2.398	2.412	0.068	2.335	2.440	9
Nb—O	(6–8), (-): all	2.248	2.188	0.137	2.158	2.368	6
		2.167	2.177	0.030	2.135	2.189	4	44
Mo—O	(-), (-): all	2.201	2.187	0.094	2.146	2.263	37	85
	(^‡), (-): (clusters)	2.142	2.151	0.052	2.109	2.176	21	131
Tc—O	see CEPHOU (2.282)
Ru—O	(6), (-)	2.074	2.066	0.051	2.031	2.119	12	85
Rh—O	(4–6), (I–III): all	2.190	2.178	0.096	2.108	2.296	14
		2.105	2.108	0.035	2.100	2.129	7	85
		2.274	2.295	0.045	2.227	2.309	7	82
Pd—O	see BQAPPD (2.200)
Ag—O	see CERFAG (2.334), COVBIY (2.367)
Cd—O	(5–8), (-)	2.318	2.299	0.065	2.272	2.345	73	86
La—O	(8–10), (-)	2.556	2.564	0.062	2.511	2.610	17
Ce—O	(9, 11), (-)	2.565	2.601	0.063	2.467	2.6 5	5
Pr—O	(8, 9), (-)	2.518	2.519	0.038	2.482	2.537	13
Nd—O	(7, 11), (-)	2.533	2.528	0.058	2.478	2.582	25
Sm—O	(8, 9), (-)	2.459	2.447	0.050	2.420	2.477	24	86
Eu—O	(9), (-)	2.441	2.412	0.055	2.400	2.486	8
Gd—O	(9), (-)	2.443	2.418	0.074	2.392	2.526	13
Tb—O	see ZZZARD01 (2.382, 2.527)
Dy—O	(8, 9), (-)	2.409	2.374	0.074	2.356	2.469	12
Ho—O	(7–9), (-)	2.407	2.392	0.069	2.354	2.477	10
Er—O	(7–9), (-)	2.404	2.372	0.083	2.352	2.427	15
Yb—O	(8, 9), (-)	2.353	2.342	0.066	2.311	2.388	12
Lu—O	(9), (-): all	2.404	2.408	0.116	2.298	2.507	4
W—O	(-), (-): all	2.115	2.106	0.065	2.072	2.148	14
		2.101	2.092	0.045	2.072	2.142	13	44
Re—O	(6), (-): all	2.199	2.214	0.091	2.106	2.276	4
Os—O	see CIBKED (2.166)
Au—O	see MAUFMS (2.157)
Hg—O	(4, 6), (-): all	2.690	2.680	0.083	2.612	2.773	5
Th—O	(9, 10), (-): all	2.483	2.483	0.032	2.452	2.513	4
U—O	(7, 8), (-): all	2.455	2.464	0.047	2.430	2.478	15

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.22.2 Aqua (μ₂-OH₂)
Mn—O	see MNPROP (2.223, 2.369)
Co—O	(6), (II, III)	2.151	2.156	0.021	2.132	2.167	5
Ni—O	(6), (II)	2.102	2.103	0.030	2.072	2.133	8
Cu—O	see AXEXAC (2.300, 2.487), CESYII (2.755)
Zn—O	see CITKIZ (2.100, 2.326)
Ru—O	see COCXOH (2.159, 2.168)
Ag—O	see BUGFUE (2.437, 2.451)
U—O	see AQOURI (2.354, 2.375)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.23.1 Alkyl alcohols [ROH, R = C(sp³)]
O—C		1.436	1.435	0.022	1.425	1.448	196
V—O	see CIJDAA (1.918, 2.233)
Mn—O	(4, 6), (II, III): all	2.223	2.202	0.055	2.184	2.248	19
	: excluding 1 > 2.39	2.213	2.201	0.035	2.182	2.246	18
Fe—O	(6), (II, III)	2.133	2.157	0.052	2.078	2.175	5
Co—O	(5, 6), (II, III): all	2.089	2.085	0.091	2.068	2.108	28
	(6), (III)	1.951	1.953	0.017	1.934	1.967	4
	(6), (II)	2.098	2.086	0.042	2.076	2.108	23
Ni—O	(4, 6, ^‡), (II): all	2.101	2.093	0.073	2.065	2.140	31
	(6), (II)	2.099	2.089	0.043	2.071	2.128	25
Cu—O	(4–6), (I, II): all	2.162	2.039	0.206	1.991	2.375	61	30
	(4), (II)	1.973	1.977	0.027	1.948	1.996	8
	(5, 6), (II): short (<2.07)	2.003	2.000	0.031	1.978	2.029	24
	(5, 6), (II): long (>2.16)	2.384	2.404	0.102	2.290	2.474	26
Zn—O	(5, 6), (II)	2.122	2.105	0.041	2.085	2.166	10
Mo—O	(5, 6), (V, VI)	2.326	2.326	0.035	2.308	2.358	6
Rh—O	(4, 6), (I, II): all	2.259	2.273	0.047	2.223	2.296	6
	(6), (II): all Rh₂(O₂CR)₄.L₂	2.276	2.277	0.023	2.255	2.296	5
La—O	(9–11), (III)	2.574	2.579	0.025	2.547	2.595	6
Pr—O	(8, 9), (III)	2.539	2.533	0.033	2.513	2.568	5
Nd—O	see BAWDIM10 (2.480, 2.547)
Eu—O	see CEYRON (2.433, 2.470)
Er—O	see BUHVOP (2.468), HENAEB (2.240)
Yb—O	see GEIAYB10 (2.386, 2.420)
Hg—O	see TESTHG (2.487)
Th—O	see BURPEJ (2.579)
U—O	(6, 7), (VI)	2.439	2.460	0.052	2.387	2.481	5

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.23.2 Alkyl, aryl alcohols [ArOH, ROH, R = C(sp²)]
O—C		1.378	1.365	0.034	1.361	1.397	9
Fe—O	see CAYGOY (2.317)
Co—O	see APIMCO (2.154), BAVJOX10 (1.937, 1.937)
Ni—O	see APIMNI (2.102)
Cu—O	see CAXYOP (2.600)
Mo—O	see CETGIR (2.601, 2.645)
Sm—O	see SALASM10 (2.434)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.24.1 Tetrahydrofuran (thf)
O—C		1.453	1.453	0.025	1.438	1.466	167
Ti—O	(7–8), (II–IV): all	2.205	2.219	0.069	2.166	2.257	8
V—O	(6), (II–IV): all	2.128	2.132	0.063	2.070	2.153	14
	excluding BUXTAP	2.115	2.131	0.042	2.070	2.151	13
Cr—O	(6), (0–III): all	2.125	2.084	0.137	2.002	2.279	6
		2.042	2.023	0.058	2.000	2.104	4	85
Mn—O	see CLTIMN (2.227), HFURMN (2.100)
Fe—O	see PTHFFE (2.352)
Ni—O	see BECXIQ (1.964)
Y—O	(9, 10), (III)	2.405	2.413	0.054	2.350	2.457	5
Zr—O	see COTZRH (2.446), COTZRF (2.274)
Mo—O	(6), (II–VI): all	2.430	2.432	0.148	2.307	2.570	6	30
Cd—O	see PHPNCD (2.643)
La—O	see CEYPEB (2.555, 2.509, 2.490)
Ce—O	see COCTCE (2.577, 2.588)
Sm—O	(8), (II): all CALCEX	2.634	2.628	0.018	2.620	2.652	4
Eu—O	see CIFCAV (2.602, 2.641)
Gd—O	see CPTHGD10 (2.494)
Er—O	see BOBWAQ (2.351, 2.365, 2.452)
Yb—O	see CPFYBA10 (2.412), CPYBHF (2.525)
Ta—O	see ACTHTA (2.282), BEHHIF (2.379), BEJGAY (2.308)
Re—O	see BOJSUO (2.486, 2.469)
Hg—O	see BIYPAA (2.645)
Th—O	see COCTFT10 (2.573, 2.525)
U—O	(8–10), (III, IV)	2.471	2.470	0.045	2.439	2.494	6

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.24.2 Ethers [OR₂, R = C(sp³)]
O—C		1.432	1.434	0.033	1.415	1.450	383
Ti—O	all TCXNTI	2.134	2.124	0.026	2.118	2.161	4
Cr—O	(5), (II): excluding FACCRE (2.244)	2.133	2.132	0.007	2.128	2.138	6
Mn—O	(8), (II): predominantly ODMNBR	2.319	2.325	0.051	2.274	2.369	6
Co—O	(6, 7), (II)	2.230	2.207	0.092	2.142	2.327	20	8, 30
Ni—O	(6), (II)	2.147	2.151	0.063	2.089	2.187	14
Cu—O	(6, 7), (II)	2.431	2.404	0.187	2.299	2.608	22
Zn—O	see CEPMOZ (2.093)
Y—O	see BUWBAW (2.385)
Mo—O	(5, 6), (II, V): excluding CETGEN	2.263	2.269	0.027	2.242	2.285	6
Ag—O	all CIJWIB	2.575	2.575	0.015	2.561	2.588	4
Cd—O	(6–8, ^‡), (II)	2.569	2.541	0.120	2.466	2.697	11
La—O	(10–12), (III)	2.685	2.693	0.053	2.641	2.730	42	20
Nd—O	(10, 12), (III)	2.665	2.646	0.076	2.600	2.719	11
Sm—O	(9, 10), (III)	2.504	2.503	0.046	2.473	2.537	14
Eu—O	(6, 10, 11), (II, III)	2.618	2.638	0.088	2.529	2.680	9
	(10, 11), (III)	2.596	2.601	0.080	2.508	2.665	7
Ta—O	see BUBKUE (2.462, 2.166, 2.411, 2.176)
Hg—O	see CESZOP (2.825), HGTXZO (2.909, 2.935)
U—O	see BAMVUG (2.602, 2.586)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.24.3 Ethers {OR₂, R₂ ≠ [C(sp³)]₂}
O—C(sp²)		1.390	1.389	0.014	1.380	1.400	51
O—C(sp³)		1.444	1.446	0.020	1.429	1.455	51
V—O	see BUCTOI (2.196, 2.219, 2.229)
Cr—O	(5), (II): all Cr≡Cr	2.131	2.131	0.009	2.127	2.135	7
Co—O	see BXZPCO (2.325)
Ni—O	(6), (II)	2.176	2.175	0.052	2.141	2.201	11
Cu—O	(6, 7), (II)	2.393	2.371	0.096	2.310	2.472	8
Mo—O	all DMXPMO10	2.269	2.269	0.019	2.252	2.287	4
Ru—O	see CEFNOQ (2.472), CPASRU (2.257, 2.299)
Pd—O	see BUWJUY (2.236)
Cd—O	see CATKUD (2.614, 2.731)
La—O	(10), (III)	2.697	2.699	0.031	2.679	2.729	8	22
Sm—O	see HBHOSM (2.417, 2.437, 2.591)							22

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
5.25.1 η²Acyl [η²-C(O)R] (see also 3.12.1.2)
Zr—O	see BOPSII (2.249, 2.251)
Mo—O		2.267	2.289	0.050	2.214	2.300	6
W—O	see BUSYIX (2.223), COSSOS (2.167)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.25.2 η²-CO₂ (see also 3.22.1)
(None)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.25.3.1 O-Isocyanate (terminal —OCN) (see also 4.5.1.1)
(None)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
5.25.3.2 Isocyanate (μ₂-NCO) (see also 4.5.1.2)^§
Cu—O	see CNPRCV (2.607), ICNPCU10 (2.663)

Bond	Substructure (coordination number, oxidation state, comment)	Note^†
5.25.4 Borates (all types)		132
O—B	(1.437, 1.405, 1.431)
Ni—O	see CECWEM (2.038, 2.056, 2.057)
O—B	(1.527, 1.547)
Mo—O	see BAXHEN (2.129, 2.145)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
6.1.1.1 Fluoro (terminal F)
Ti—F	see FPOTIP (1.853, 1.887)
V—F	(5, 6), (IV, V): all	1.856	1.876	0.059	1.790	1.908	8
Cr—F	(6), (III)	1.870	1.872	0.027	1.847	1.892	5
Mn—F	see TMAFMN (1.809, 1.867)
Ni—F	see FACTNI (2.081, 2.093)
Cu—F	see BIPTAV (1.935)
Zr—F	(7, 8), (-): all	2.043	2.051	0.037	2.024	2.063	22	133
Nb—F	(6), (V): all	1.957	1.941	0.069	1.906	1.982	11
		1.940	1.936	0.041	1.903	1.980	10	44
Mo—F	see AFXPCM (2.058), TCMOFM (1.922, 1.845)
W—F	see CPBXOG (2.081)
Re—F	see COLWAB (2.036)
Pt—F	see TEPPTB (2.043)
U—F	(7, 10), (-): all	2.240	2.268	0.077	2.178	2.289	5
	(7), (-)	2.274	2.276	0.020	2.254	2.293	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
6.1.1.2 Fluoro (μ₂-F)								134
Cu—F	see CASYEA (1.927, 1.919)
Mo—F	(6), (VI): all	2.168	2.147	0.046	2.134	2.212	6
Ag—F	see BIWVEI (2.548, 2.550)
U—F	(7, 10), (IV, VI): all	2.316	2.325	0.041	2.273	2.350	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
6.2.1 BF₄ (terminal, η¹)
(M)F—B	all	1.366	1.357	0.044	1.330	1.391	6
	excluding 1 > 1.43	1.349	1.357	0.019	1.330	1.365	5
B—F	all	1.331	1.347	0.058	1.305	1.378	18
	excluding 4 < 1.25	1.360	1.357	0.023	1.337	1.378	14
Cu—F	see BUWWOF10 (2.560)
Ir—F	see BEVYIK (2.272)
U—F	see CISZOT (2.420, 2.403)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
6.2.2 PF₆ (terminal, η¹)
(None)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
7.1 Silicon ligands (all types)								135
Mn—Si	see BOTGAS (2.351), CATSUL (2.254), DPSCMN (2.402), MSISMN (2.564)
Fe—Si	: SiR₃, SiX₃, SiX₂, SiR₃, etc.: all	2.329	2.348	0.066	2.264	2.367	15
	: Si with halide substituents	2.263	2.258	0.014	2.251	2.280	6
	: without halide substituents	2.374	2.363	0.045	2.349	2.411	9
Mo—Si	see FBSIMO (2.603, 2.608)
Ru—Si	: SiX₃, SiR₃, μ-SiR₂	2.423	2.439	0.057	2.365	2.463	9
	: excluding SiX₃	2.447	2.451	0.037	2.414	2.465	7
Rh—Si	see CONFEQ01 (2.379)
W—Si	see ESITCO (2.586)
Re—Si	all ESICRE, HETSRE	2.543	2.547	0.007	2.536	2.549	5
Os—Si	see BEGKAZ (2.400, 2.421), CAFCUH (2.429)
Ir—Si	see HTSIXI10 (2.398, 2.417)
Pt—Si	SiR₃, μ-SiR₂	2.336	2.318	0.060	2.313	2.382	7
Hg—Si	(6), (II): SiR₃	2.533	2.544	0.026	2.506	2.549	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
8.1.1 Phosphorus (μ_n-P)
Co—P	(μ₃-P): all CPCOPT	2.233	2.218	0.022	2.216	2.256	7
Ru—P	(μ₅-P): see BUTKUW range 2.327–2.263
Rh—P	(μ₈): all BEAMRH	2.425	2.421	0.026	2.402	2.451	8

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.2.1.1 Phosphinidenes (terminal, η¹-PR)
(None)

Bond	Substructure (coordination number, oxidation state, comment)	Note^†
8.2.1.2 Phosphinidenes (μ₂-PR)		136
P—C	(1.897)
Cr—P	see CIHXIA (2.288, 2.315)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.2.1.3 Phosphinidenes (μ₃-PR)								136
P—C	predominantly R = Ph	1.808	1.809	0.013	1.799	1.816	23
Fe—P	(^‡), (-)	2.204	2.204	0.030	2.179	2.223	42
Co—P	see COTSEJ (2.156, 2.163, 2.170)
Ru—P	(^‡), (-)	2.302	2.292	0.039	2.277	2.327	21
Ir—P	see BUNMEC (2.255, 2.279, 2.285)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.2.1.4 Phosphinidenes (μ₄-PR)								136
P—C	R = aryl	1.812	1.817	0.018	1.801	1.825	16
	R = Me: all BUZRAP	1.862	1.863	0.007	1.855	1.867	4
Fe—P	(^‡), (-)	2.261	2.254	0.051	2.235	2.287	52
Co—P	all PPCOC01	2.240	2.240	0.014	2.229	2.245	8
Ru—P	asymmetrics included	2.408	2.353	0.089	2.343	2.483	12
Rh—P		2.388	2.397	0.032	2.358	2.415	8

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
8.3.1.1 Phosphino (η¹-terminal PR₂, R = alkyl)
P—C		1.865	1.865	0.012	1.861	1.877	20
Fe—P	see CPFMPI10 (2.265)
Mo—P	all CEHTUE	2.274	2.276	0.007	2.267	2.279	4
Hf—P	(5, 8), (IV): planar at P	2.500	2.496	0.025	2.478	2.526	4
	: not planar at P, see CAKSOW (2.682)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
8.3.1.2 Phosphino (μ₂-PR₂)
P—C	all but R = ^tBu; mostly R = Ph	1.831	1.830	0.016	1.821	1.839	264
P—C	R = ^tBu	1.909	1.919	0.020	1.899	1.921	25
V—P	all DMPCOV	2.357	2.357	0.005	2.352	2.361	6
Cr—P	all MPCRCO	2.318	2.318	0.001	2.317	2.319	4
Mn—P	(5, 6), (0, I)	2.289	2.282	0.039	2.260	2.290	12
Fe—P	(4–6, ^‡), (-)	2.222	2.217	0.030	2.204	2.233	67
Co—P	(4, 5, ^‡), (-)	2.189	2.188	0.036	2.160	2.224	44
Ni—P	(3, 4), (-)	2.189	2.185	0.039	2.161	2.228	15
Cu—P	see PHPECU01 (2.357, 2.370)
Mo—P	(6, 7), (-)	2.390	2.381	0.030	2.364	2.419	12
Ru—P	(5, ^‡), (-)	2.333	2.327	0.041	2.310	2.355	62
Rh—P	(4, ^‡), (-)	2.307	2.299	0.037	2.285	2.327	22
Os—P	(5, 6, ^‡), (-)	2.379	2.391	0.051	2.341	2.415	8
Ir—P	all CEFVIS	2.355	2.358	0.046	2.312	2.395	4
Pt—P	(4, ^‡), (-)	2.282	2.281	0.037	2.256	2.312	24

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.3.2.1 Phospha-vinyls (η¹-PR = CR₂)
P=C	(1.679, 1.651, 1.661)
P—C	(1.822, 1.818, 1.793)
Cr—P	see MESTCR (2.356)
Pt—P	see BESHAI (2.218), BEXLEV (2.199)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
8.3.3 Diaminophosphino [P(NR₂)₂]
P—N		1.615	1.624	0.028	1.598	1.632	8
Fe—P	all CINLAM	2.106	2.124	0.061	2.041	2.152	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.4.1 P—P bonded ligands (η¹-P—P single bond)								137
P—P		2.211	2.205	0.034	2.193	2.220	54
Cr—P	(6), (0)	2.385	2.383	0.036	2.361	2.403	11
Mn—P	see COGSIA (2.355, 2.369), PDMNC (2.215)
Fe—P	(4, 5), (-)	2.235	2.221	0.027	2.217	2.263	10
Ni—P	see PSNIMO (2.221)
Mo—P	(6), (0)	2.511	2.512	0.045	2.463	2.534	11
Rh—P	see BUYKIP (2.285, 2.302)
W—P	see BAVKAK (2.573), CIPGAJ (2.535)
Re—P	see BTPCRE10 (2.478, 2.539)
Ir—P	see CAYLAP (2.423, 2.433)
Hg—P	see TMDPHG (2.490)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.4.2 P₃ (η³-P₃)								137
P—P		2.135	2.137	0.016	2.122	2.149	18
Co—P	(5), (-)	2.311	2.309	0.011	2.302	2.321	4
Ni—P	see CAFSOR (2.308, 2.309, 2.309)							9
Rh—P	see PPMERH (2.418)
Pd—P	(5), (-)	2.452	2.450	0.045	2.411	2.497	6
Ir—P	see PPMEIR (2.436)
Pt—P	see BUSLEG (2.430, 2.433, 2.437)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.4.3 P—P bonded ligands (η¹-P=P double bond)								137, 138
P=P		2.038	2.039	0.014	2.023	2.052	5
Cr—P	see CEGHAX (2.360), CIKPUH (2.315)
Fe—P	see BUPJAX (2.226), CAYFAJ (2.232), CEMXIB (2.215)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.4.4 P—P bonded ligands (η²-P=P double bond)								137, 138
P=P		2.150	2.146	0.027	2.128	2.176	4
Fe—P	see CEGHEB (2.346, 2.361)
Ni—P	see EPMSPN11 (2.234, 2.259)
Mo—P	see CPPYMO10 (2.536, 2.550)
Pd—P	see BIHGOO (2.366)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.5.1 Trimethylphosphine (PMe₃)								137
P—C		1.824	1.824	0.023	1.811	1.837	1243
V—P		2.510	2.509	0.010	2.502	2.520	4
Cr—P		2.389	2.370	0.069	2.328	2.460	5	87
Mn—P	(4–7), (-): all	2.455	2.453	0.164	2.293	2.619	8	38
	(5, 6), (-)	2.304	2.295	0.027	2.285	2.332	4
	(4, 7), (-)	2.605	2.605	0.042	2.566	2.645	4
Fe—P	(5, 6), (-): all	2.246	2.248	0.042	2.223	2.268	20
	(5), (-)	2.230	2.228	0.037	2.215	2.252	11
	(6), (-)	2.265	2.255	0.042	2.239	2.296	9
Co—P	(4–6, ^‡), (-): all	2.217	2.212	0.043	2.183	2.241	38	12, 139
	(4, 5, 6), (-)	2.209	2.208	0.036	2.181	2.238	35	140
Ni—P	(3–5), (-): all	2.204	2.202	0.031	2.188	2.216	37	9, 51
	(3), (-)	2.182	2.170	0.060	2.138	2.233	5
	(4), (-)	2.200	2.200	0.020	2.184	2.208	20
	(5), (-)	2.220	2.215	0.024	2.204	2.245	12
Zr—P	see COPVIM (2.692)
Mo—P	(5–7), (-): all	2.462	2.455	0.046	2.429	2.487	46	38
	(5), (-)	2.530	2.535	0.031	2.497	2.546	9
	(6), (-)	2.459	2.457	0.031	2.432	2.481	16
	(7), (-)	2.435	2.435	0.027	2.425	2.457	21
Ru—P	all	2.307	2.307	0.050	2.271	2.335	65
	excluding MEPRUA, MPMYRU	2.298	2.303	0.037	2.268	2.329	58
Rh—P	(4–6), (-): all	2.266	2.259	0.036	2.248	2.297	22
	(4), (-)	2.284	2.296	0.037	2.256	2.308	12
	(6), (-)	2.249	2.250	0.017	2.247	2.260	9
Pd—P		2.287	2.281	0.018	2.273	2.305	6
Ta—P	(5–8), (-): all	2.589	2.588	0.044	2.555	2.625	32
	(5), (-)	2.564	2.565	0.027	2.535	2.591	13
	(6), (-)	2.611	2.614	0.048	2.593	2.648	12
	(8), (-)	2.611	2.627	0.047	2.563	2.651	5
W—P	excluding CIPDIO and PHIMDW	2.485	2.496	0.039	2.456	2.509	40	38, 139
Re—P	all	2.369	2.374	0.065	2.324	2.407	29
	excluding CACWOS, MEORHC, NOMPRE	2.348	2.335	0.050	2.321	2.383	24
Os—P		2.328	2.323	0.029	2.297	2.359	15
Ir—P		2.323	2.329	0.028	2.309	2.341	30	139
Pt—P		2.295	2.306	0.036	2.265	2.321	36	91, 142

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.5.2 Triethylphosphine (PEt₃)
P—C		1.832	1.831	0.021	1.820	1.843	557
Ti—P	see BOZMIM (2.585)
Cr—P		2.374	2.372	0.061	2.319	2.433	6	38, 81
Mn—P	see COLDIQ (2.568), TEPPMN01 (2.253)
Fe—P	see BDODFE (2.220), CATGEJ (2.234)
Co—P	all	2.208	2.225	0.039	2.181	2.236	18
	cobaltacarboranes	2.224	2.226	0.021	2.215	2.241	11
	CpML₂	2.147	2.139	0.024	2.128	2.172	4
Ni—P	(3, 4), (-): all	2.196	2.189	0.036	2.173	2.233	10	9, 51
	(3)	2.169	2.176	0.023	2.145	2.187	4
	(4)	2.214	2.222	0.031	2.183	2.238	6
Mo—P		2.507	2.513	0.042	2.477	2.545	9	38
Ru—P		2.356	2.355	0.006	2.351	2.362	4
Rh—P		2.338	2.346	0.029	2.316	2.360	13
Pd—P		2.315	2.321	0.022	2.294	2.336	18	139
Ta—P	see BEHHIF (2.667)
W—P		2.537	2.539	0.015	2.522	2.551	4	38
Re—P	see CEVHOA (2.479)
Os—P	see HETPOS (2.412)
Ir—P	(6), (-)	2.334	2.332	0.013	2.325	2.341	6	139
Pt—P	(-), (-): all, mostly (4, 5)	2.296	2.298	0.047	2.259	2.326	100	139, 142
	(4, 5), (-)	2.288	2.293	0.041	2.255	2.321	92	139
	(6), (-)	2.385	2.396	0.036	2.336	2.410	7	139
Au—P	see AGLPAU (2.259), CIMGEK (2.328), COSMOM (2.278)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.5.3 Triphenylphosphine (PPh₃)
P—C		1.828	1.828	0.014	1.819	1.837	2239
V—P	see ALCPPV (2.486, 2.485), CPHSVB (2.472)
Cr—P	see CEDHUO (2.315), HETCRB10 (2.321), MBZCRP (2.338)							38
Mn—P		2.305	2.304	0.044	2.277	2.340	9
Fe—P		2.237	2.233	0.038	2.213	2.274	31
Co—P	all	2.243	2.211	0.096	2.174	2.283	52	8
	(-), (0): clusters excluded	2.227	2.228	0.016	2.211	2.243	4
	(6), (III)	2.392	2.397	0.046	2.362	2.423	9
	(4, 5, 6), (I, III)	2.202	2.199	0.038	2.174	2.230	33
Ni—P		2.225	2.208	0.069	2.159	2.309	21	9, 30, 51
	short < 2.25	2.187	2.197	0.035	2.154	2.221	15
	long > 2.30	2.321	2.320	0.012	2.312	2.331	6
Cu—P		2.252	2.256	0.044	2.226	2.273	53	12
Mo—P		2.524	2.528	0.042	2.511	2.560	15	38
Tc—P	see CETKUH (2.494, 2.525), TCACTC (2.433)
Ru—P	(4–6, ^‡), (-): all	2.370	2.367	0.044	2.337	2.408	59
	(4), (-)	2.342	2.341	0.009	2.334	2.351	4
	(5), (-)	2.372	2.382	0.040	2.343	2.395	13
	(6), (-)	2.370	2.367	0.049	2.332	2.419	30
	(^‡), (-)	2.379	2.377	0.041	2.362	2.408	12
Rh—P	(4–6, ^‡), (-): all	2.314	2.324	0.050	2.282	2.344	85	100
	(4), (-)	2.302	2.321	0.053	2.248	2.334	44
	(5), (-)	2.331	2.335	0.048	2.288	2.370	20
	(6), (-)	2.321	2.331	0.041	2.288	2.346	18
Pd—P	excluding TTPPDB (2.458)	2.308	2.320	0.038	2.281	2.337	51	91
Ag—P		2.419	2.414	0.046	2.388	2.455	27
Cd—P	see CIFGON (2.524)
W—P		2.535	2.558	0.069	2.479	2.590	6	38, 100
Re—P	all	2.432	2.427	0.048	2.398	2.472	41
	(-), (I–III)	2.411	2.413	0.036	2.381	2.433	29
	(-), (IV, V, VII)	2.484	2.487	0.027	2.472	2.505	12
Os—P		2.388	2.385	0.037	2.361	2.416	42
Ir—P	(4–6, ^‡), (-): all	2.345	2.341	0.039	2.319	2.374	91	143
	(4), (-)	2.328	2.325	0.025	2.314	2.344	36
	(5), (-)	2.350	2.348	0.037	2.330	2.378	33
	(6), (-)	2.365	2.378	0.048	2.328	2.408	20
Pt—P	(-), (-): all	2.294	2.298	0.032	2.273	2.313	151	142
	(3), (-)	2.280	2.279	0.023	2.267	2.298	29
	(4), (-)	2.298	2.302	0.032	2.287	2.317	99
Au—P	(2–4, ^‡), (-): all	2.303	2.295	0.043	2.281	2.312	62	144
	(2), (-)	2.272	2.278	0.025	2.255	2.291	15
	(4), (-)	2.377	2.398	0.055	2.347	2.411	8
	(^‡), (-)	2.297	2.298	0.020	2.288	2.308	34
Hg—P		2.453	2.457	0.034	2.429	2.483	8	26

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.5.4 Triisopropylphosphine (PⁱPr₃)
P—C		1.863	1.863	0.015	1.855	1.872	93
Rh—P		2.309	2.300	0.047	2.274	2.355	22
Pd—P	see BUPTEL (2.242), BUSHEC (2.275)
W—P	see CEJDEA (2.487, 2.503)							38
Ir—P	see APRPIR (2.270), BUHIPI (2.300, 2.322)
Pt—P	see BUPPUX (2.261)
Au—P	see CEPYIF (2.266)							142

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.5.5 Tri-n-propylphosphine (PⁿPr₃)
P—C		1.827	1.829	0.028	1.817	1.847	27
Pd—P	see CEKGOO (2.248, 2.248)
Pt—P		2.245	2.257	0.024	2.219	2.265	5	142
Hg—P	see CIPTAW (2.425, 2.410)							145

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.5.6 Tri-tert-butylphosphine (P^tBu₃)
P—C		1.926	1.922	0.026	1.907	1.936	54
Fe—P	see TBPCFE (2.363)
Ni—P	see BPBRNI10 (2.494)
Cu—P	see BOZRAJ (2.228, 2.228)
Ru—P		2.574	2.476	0.057	2.521	2.624	4
Rh—P	see BUPCRH (2.427, 2.433)
Pt—P		2.275	2.267	0.027	2.262	2.276	7	142
Hg—P	see TBPAHG10 (2.370)							26

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.5.7 Tricyclohexylphosphine [P-(cyclo-C₆H₁₁)₃]
P—C		1.856	1.855	0.017	1.846	1.867	144
Mn—P	see COBSOB (2.362)
Co—P	see BECTIM (2.463)
Ni—P		2.211	2.226	0.036	2.172	2.242	5	51
Cu—P	see CCHXPC (2.183), CHPCUP (2.262)
Ru—P	see BOMMEV (2.419), CAVVEA (2.424, 2.420)
Rh—P	see CIDHEC (2.256)
Pd—P	see FMEACA10 (2.359, 2.363)
Ir—P	see PCHIRH10 (2.287, 2.291, 2.281)
Pt—P		2.323	2.327	0.034	2.306	2.343	23	142
Hg—P		2.413	2.412	0.034	2.379	2.444	7	26

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.5.8 Methyldiphenylphosphine (PPh₂Me)
P—C(Ph)		1.823	1.822	0.013	1.813	1.833	112
P—C(Me)		1.827	1.827	0.016	1.815	1.840	56
V—P	see CAPFOO (2.459, 2.529)
Mn—P	see CABZAG (2.684), COLNAS (2.612)
Fe—P	see BOPPAX10 (2.260, 2.276)
Co—P	see CNCOPP10 (2.254, 2.257)
Ni—P	see MPFPNI (2.206)							51
Cu—P		2.266	2.260	0.018	2.250	2.285	5
Mo—P		2.487	2.483	0.079	2.419	2.561	4	38, 85
Ru—P		2.396	2.418	0.060	2.333	2.438	4
Ag—P		2.438	2.445	0.031	2.406	2.464	4
Re—P	see CAJGEZ (2.373, 2.397, 2.414)
Os—P	see CEVFUE10 (2.315)
Ir—P		2.334	2.322	0.035	2.315	2.365	10
Pt—P	all	2.300	2.309	0.034	2.270	2.238	17	142
	(trans to P, CO)	2.317	2.320	0.018	2.299	2.332	13
	(trans to Cl, SR)	2.246	2.246	0.002	2.244	2.248	4
Au—P		2.331	2.303	0.081	2.275	2.416	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.5.9 Dimethyl(phenyl)phosphine (PPhMe₂)
P—C(Ph)		1.826	1.826	0.017	1.815	1.836	252
P—C(Me)		1.825	1.824	0.021	1.813	1.837	502
V—P	see BOBZUN (2.523)
Fe—P		2.259	2.268	0.021	2.237	2.272	4
Co—P	see BISNEW (2.161), CAHZAM (2.191), PCOPIM10 (2.230)
Ni—P		2.227	2.223	0.037	2.188	2.261	11	9, 51
Nb—P	see CIDBEW (2.697, 2.702)
Mo—P	all	2.499	2.501	0.038	2.474	2.532	25	38
	trans to P, or good σ-donors	2.532	2.532	0.017	2.520	2.544	12
	trans to weak σ-donors	2.468	2.475	0.022	2.457	2.479	13
Tc—P	all	2.437	2.463	0.054	2.416	2.478	7
	all CTMPTC	2.455	2.466	0.028	2.421	2.479	6
Ru—P		2.342	2.346	0.046	2.316	2.365	20
Rh—P	all	2.325	2.327	0.055	2.283	2.383	14	30, 81, 146
	long > 2.35	2.373	2.383	0.020	2.352	2.388	7	146
	short < 2.31	2.278	2.285	0.029	2.267	2.296	7
Pd—P	all	2.293	2.275	0.052	2.247	2.350	12	30, 81
	long > 2.32	2.348	2.352	0.014	2.335	2.359	5	147
	short < 2.30	2.253	2.258	0.022	2.227	2.265	7
Cd—P	see MPPCDC (2.560)
Ta—P	CPMPTA (2.633, 2.649)
W—P		2.523	2.528	0.033	2.499	2.548	22	38
Re—P		2.393	2.393	0.057	2.353	2.435	31
Os—P		2.326	2.329	0.030	2.297	2.349	38
Ir—P		2.319	2.313	0.038	2.286	2.347	27
Pt—P		2.299	2.303	0.037	2.281	2.323	54	142
Au—P	see MPAUSN (2.310, 2.318)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.5.10 Trifluorophosphine (PF₃)								148
P—F		1.542	1.542	0.020	1.529	2.551	39
Ti—P	all CPFPTI10	2.344	2.344	0.003	2.342	2.347	4
Cr—P	(6), (0)	2.143	2.140	0.016	2.129	2.159	4
Rh—P	all PACPRH10	2.219	2.220	0.007	2.213	2.226	4
Pt—P	see CEPFPP (2.142)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
8.6.1.1 1,2-Bis(dimethylphosphino)ethane (chelating, η²-dmpe)^§
P—C(Me)		1.824	1.824	0.019	1.813	1.833	160
P—C(CH₂)		1.841	1.842	0.021	1.827	1.851	80
C—C		1.514	1.516	0.024	1.497	1.533	38
Ti—P		2.604	2.608	0.049	2.570	2.637	8
Mn—P	(-), (I), see also Mn^II in COLNEW (2.674)	2.211	2.212	0.004	2.207	2.215	4
Co—P	see BOHGAG (2.264, 2.248), CADHOE (2.205)
Ni—P	see COFVIC (2.155, 2.179)
Zr—P		2.797	2.796	0.049	2.752	2.850	6
Mo—P	see CITCIR (2.541), NMSPEM (2.409, 2.395)
Ru—P		2.296	2.297	0.017	2.280	2.311	4
Pd—P	see CAWLIV (2.304)
Hf—P		2.687	2.688	0.010	2.678	2.696	4
Ta—P		2.591	2.602	0.047	2.532	2.629	14
W—P		2.469	2.470	0.024	2.447	2.491	4
Ir—P		2.343	2.342	0.005	2.340	2.348	4
Pt—P	see COMSUS (2.262, 2.270)
Th—P	see CEKGEE (3.156, 3.152)
U—P	see CEKGII (3.020, 3.010)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.6.2.1 1,2-Bis(diphenylphosphino)ethane (chelating, η²-dppe/diphos)^§
P—C(Ph)		1.827	1.826	0.016	1.816	1.838	287
P—C(CH₂)		1.845	1.844	0.016	1.835	1.855	143
C—C		1.527	1.527	0.028	1.513	1.541	72
V—P	(7), (I)	2.458	2.460	0.025	2.434	2.481	4
Fe—P	(5, 6), (0, II)	2.199	2.201	0.016	2.185	2.210	8
Co—P	(4, 5), (0, III)	2.235	2.239	0.017	2.217	2.248	4	8
Ni—P	(5), (II, III)	2.212	2.209	0.021	2.194	2.232	4	9
Cu—P	(4), (I)	2.304	2.302	0.011	2.295	2.316	4
Mo—P	(6, 7), (0, II, IV)	2.524	2.530	0.048	2.493	2.556	16	38
Tc—P	(6), (II, III)	2.475	2.469	0.033	2.443	2.507	4
Rh—P	(4, 5), (I)	2.294	2.293	0.061	2.232	2.355	8
Pd—P	(3, 4), (0, II)	2.260	2.255	0.029	2.235	2.293	8
W—P	(5, 6), (II)	2.530	2.529	0.021	2.513	2.542	20	38
Re—P	excluding CAFZUE	2.428	2.440	0.035	2.403	2.453	10	81
Ir—P	(5, 6), (I, III)	2.353	2.349	0.036	2.327	2.375	22
Pt—P	(4, 5, ^‡), (0, II)	2.278	2.274	0.033	2.256	2.302	18
Au—P	(4), (I)	2.400	2.397	0.013	2.389	2.416	8

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
8.6.3.1 Bis(diphenylphosphino)methane (chelating-dppm)^§
P—C(Ph)		1.818	1.817	0.013	1.809	1.830	58
P—C(CH₂)		1.848	1.846	0.014	1.837	1.858	29
Fe—P	(5, 6), (0, II)	2.214	2.217	0.013	2.201	2.215	4
Nb—P	see CEGGUQ (2.664, 2.660)
Mo—P	see CEDXEO (2.527, 2.549)
Ru—P	see CEZXAG (2.341, 2.367)
Rh—P	(5, 6), (I, III)	2.336	2.329	0.024	2.322	2.354	8
Pd—P	(4), (II)	2.258	2.257	0.020	2.239	2.278	4
Os—P	all CEZWOT	2.320	2.322	0.022	2.299	2.339	4
Pt—P	see CACLUN (2.249, 2.335)
Au—P	see CACPIF (2.360)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
8.6.3.2 Bis(diphenylphosphino)methane (μ₂-dppm)^§
P—C(Ph)		1.822	1.822	0.015	1.813	1.831	174
P—C(CH₂)		1.836	1.837	0.015	1.825	1.848	87
Co—P	see BOHBIJ (2.176, 2.178)
Mo—P	see CIKKAI (2.509, 2.510)
Ru—P	(^‡), (-)	2.320	2.317	0.012	2.314	2.329	6
Rh—P	(4–6, ^‡), (-)	2.321	2.319	0.035	2.307	2.345	42
Pd—P	see BOGFOS (2.324, 2.359)
Ag—P	(4, 5), (-)	2.427	2.425	0.026	2.406	2.454	6
Re—P	(6), (-)	2.500	2.501	0.028	2.474	2.524	4
Os—P	see CEMTIX (2.443, 2.452)
Ir—P	see BUNMEC (2.310, 2.324), CTDPIR (2.319)
Pt—P	(4, 5), (-)	2.309	2.305	0.021	2.297	2.327	16
Au—P	see PPEAUC (2.284, 2.325)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.7.1 Trimethylphosphite [P(OMe)₃]
P—O		1.595	1.595	0.019	1.582	1.608	311
O—C		1.432	1.436	0.027	1.419	1.446	311	91
Cr—P	see CROPPH10 (2.269)							38
Mn—P		2.216	2.219	0.043	2.175	2.240	7	149
Fe—P		2.151	2.152	0.017	2.145	2.159	14	149
Co—P		2.156	2.153	0.042	2.124	2.174	19	149
Ni—P		2.189	2.187	0.020	2.171	2.208	4	8, 149
Mo—P		2.400	2.395	0.053	2.358	2.425	28	38, 149
Ru—P	all	2.291	2.284	0.043	2.273	2.345	16	81
	not trans to P(OMe)₃	2.267	2.279	0.025	2.239	2.285	11
	trans to P(OMe)₃	2.346	2.346	0.002	2.344	2.347	5
Rh—P	see BPHPRH10 (2.178)
Pd—P	see COWGEA (2.281, 2.277)
Ag—P	see MPNDAG (2.409)
W—P	see CANHAA (2.453)							38
Os—P		2.283	2.283	0.002	2.281	2.285	4
Ir—P		2.272	2.274	0.022	2.257	2.291	9

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
8.7.2 Triphenylphosphite [P(OPh)₃]
P—O		1.600	1.602	0.011	1.593	1.610	45
O—C		1.404	1.403	0.019	1.394	1.414	45
Cr—P	see POTCDR (2.251)
Mn—P	see COLZEI (2.198, 2.202, 2.207)							38
Rh—P	(4, 5, ^‡), (-): all	2.195	2.188	0.047	2.155	2.241	8	85
	(4, 5), (-)	2.172	2.184	0.023	2.145	2.189	6	85
Pd—P	see DTCPPD10 (2.323)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
8.8.1 Aminophosphines and μ-phosphides [P(NR₂) $[R^{\prime}_{2}]$ etc.]
P—N		1.678	1.676	0.026	1.658	1.696	104
Cr—P	see BUJNOJ (2.322)
Mn—P	(6, 7), (I, III)	2.331	2.330	0.028	2.310	2.354	5
Fe—P	(5, 6), (0, II)	2.183	2.192	0.049	2.128	2.212	11
Co—P	(5, 6), (0, I, III)	2.128	2.102	0.053	2.089	2.158	18
Mo—P	(6), (0, I)	2.402	2.385	0.053	2.355	2.461	18
Ag—P	see CEMSUI (2.394, 2.396)
W—P	see BEGYAN (2.497), BUDBEH (2.437)
Os—P	see BUPYOA (2.375, 2.399), BUPYUG (2.441)
Pt—P	all BIYVIO	2.252	2.252	0.015	2.238	2.266	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
8.8.2 Iminoaminophosphines [P(NR)NR₂]
P=N		1.540	1.551	0.022	1.516	1.556	6
P—N		1.669	1.674	0.015	1.655	1.678	6
Cr—P	see PCBASC (2.304, 2.321)
Re—P	see CECGUM (2.477)
Pt—P	(3, 4), (0)	2.248	2.246	0.021	2.228	2.268	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
8.8.3 Cyclotriphosphazenyl^§ and related ligands
P—N		1.644	1.642	0.014	1.636	1.656	13
Cr—P	see COLPIC (2.349)
Fe—P	(6), (II)	2.232	2.236	0.042	2.190	2.273	6
Mo—P	see COLPOI (2.512)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.1.1.1 Sulfur (terminal S)								150
V—S	see BAWBUW01 (2.060)
Mo—S	(4–6, ^‡), (IV–VI)	2.131	2.133	0.022	2.112	2.151	28
Ta—S	see CIFMAF (2.204), STAETC (2.181)
W—S	(4, ^‡), (VI)	2.153	2.158	0.013	2.142	2.162	9

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.1.1.2 Sulfur (μ₂-S)
V—S	(6, ^‡),	2.234	2.230	0.019	2.219	2.248	10
Cr—S	all SCPDCC	2.074	2.074	0.003	2.071	2.077	4
Fe—S	(4, ^‡), (-)	2.225	2.224	0.019	2.210	2.241	50	90
Ni—S	see PMENIB20 (2.035)
Nb—S	(6–8), (III, IV): all	2.479	2.523	0.129	2.343	2.579	18
	(6), (III, IV)	2.324	2.338	0.029	2.290	2.343	6
	(7, 8), (III, IV)	2.557	2.556	0.075	2.522	2.631	12
Mo—S	(4–7, ^‡), (-)	2.317	2.320	0.022	2.306	2.328	102
Rh—S	see TPPMRH10 (2.368)
W—S	(6), (IV, V)	2.324	2.319	0.022	2.308	2.342	5
Re—S	see COJDUA (2.375, 2.387)
Ir—S	see CTDPIR (2.462)
Au—S	see BITYIM (2.157, 2.161)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.1.1.3 Sulfur (μ₃-S)
Cr—S		2.299	2.308	0.035	2.253	2.328	17
Fe—S		2.281	2.282	0.035	2.261	2.306	237	99
Co—S		2.223	2.230	0.047	2.173	2.264	11
Ni—S	all BIYCUH	2.201	2.203	0.007	2.195	2.207	6
Cu—S	all CIHRIU	2.163	2.161	0.007	2.157	2.166	12
Mo—S	excluding BALJIH, CEFYAN	2.352	2.347	0.019	2.340	2.356	51
Ru—S	see BUPVUD (2.354, 2.366, 2.350)
Rh—S	all CEGCIA	2.351	2.352	0.006	2.347	2.356	12
Os—S		2.428	2.428	0.037	2.406	2.451	60
Pt—S	see CIXRUW (2.357, 2.369, 2.372)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.2.1.1 Alkyl thiolates [terminal, SR, R = C(sp³)]
S—C		1.829	1.829	0.026	1.816	1.846	213
Ti—S	see BIPFUB10 (2.404), CIRHUG (2.333)
V—S	(5, 6), (III, IV)	2.378	2.377	0.007	2.371	2.385	13
Cr—S	see LDHPCR10 (2.332), MCENCR (2.337), SCYSCR (2.417)
Mn—S	(4, 5), (II, III): all	2.366	2.339	0.054	2.322	2.432	11	30
	(4), (II): all CEMSIW	2.433	2.434	0.008	2.425	2.440	4
	(5), (III)	2.328	2.323	0.011	2.319	2.339	7
Fe—S	(4–6, ^‡), (-)	2.271	2.269	0.028	2.251	2.296	72	99
Co—S	(4, 6, ^‡), (II, III)	2.254	2.249	0.025	2.233	2.271	18	8
Ni—S	(4), (II)	2.187	2.186	0.007	2.181	2.192	8
Zn—S	see AMETZN (2.295)
Mo—S	(4–6, 8, ^‡), (II–VI)	2.401	2.408	0.050	2.366	2.424	66
Tc—S	(5, 6), (III, V)	2.302	2.302	0.015	2.286	2.314	8
Cd—S	see ABPENC (2.444)
Ir—S	see BEPZEB (2.512), COCKAG (2.411)
Pt—S	(4), (II)	2.320	2.317	0.015	2.308	2.335	5
Au—S	see AGLPAU (2.293)
Hg—S	(2–4), (II)	2.402	2.403	0.065	2.339	2.464	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.2.1.2 Alkyl thiolates [μ₂-SR, R = C(sp³)]
S—C		1.840	1.837	0.028	1.822	1.858	194
V—S	(6, 7), (III): all	2.438	2.418	0.052	2.393	2.493	24	30
	: short (<2.44)	2.401	2.401	0.019	2.386	2.418	15
	: long (>2.48)	2.500	2.493	0.016	2.489	2.513	9
Cr—S	(6, ^‡), (-)	2.342	2.349	0.022	2.332	2.356	23
Mn—S	see BUFPUN01 (2.346, 2.631), MCETMN (2.242, 2.270)
Fe—S	(4–6, ^‡), (-): all	2.298	2.289	0.059	2.255	2.349	109
	: excluding 5 > 2.41	2.291	2.280	0.049	2.251	2.325	104
Co—S	(4, 6, ^‡), (-)	2.294	2.298	0.037	2.280	2.315	20	8
Ni—S	(4, ^‡), (-)	2.201	2.199	0.024	2.183	2.227	16
Cu—S	all CEDNOO	2.278	2.277	0.020	2.265	2.291	12	12
Zn—S	see MCECZN (2.284, 2.343)
Nb—S	all BAGBUG	2.555	2.556	0.017	2.548	2.566	8
Mo—S	(5–7), (-)	2.460	2.455	0.047	2.419	2.490	60
Ru—S	(^‡), (-)	2.400	2.400	0.063	2.336	2.457	8
Pd—S	(4, ^‡), (-)	2.328	2.329	0.007	2.321	2.332	16
Cd—S	see CAHGUN (2.528, 2.622)
W—S	(6, 7), (-): excluding asymmetrics	2.466	2.464	0.051	2.421	2.478	14	151
Os—S	(5, ^‡), (-)	2.414	2.411	0.011	2.405	2.421	10
Ir—S	(4, 5, ^‡), (-)	2.413	2.397	0.050	2.375	2.443	32
Pt—S	(4), (II)	2.337	2.343	0.046	2.292	2.379	8
Hg—S	(2–4, ^‡), (-): excluding asymmetrics	2.494	2.454	0.115	2.407	2.598	8	151

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.2.1.3 Thiolates (μ₃-SR)
S—C(sp³)	(secondary, tertiary)	1.871	1.864	0.020	1.853	1.890	11
S—C(sp²)		1.769	1.765	0.011	1.762	1.780	9
Fe—S	(^‡), (-): all	2.177	2.148	0.051	2.137	2.224	29	30
	: short (<2.16)	2.137	2.139	0.012	2.126	2.146	17
	: long (>2.21)	2.233	2.224	0.022	2.219	2.243	12
Ru—S	see CHPRUS10 (2.272, 2.273, 2.275)
Ag—S		2.641	2.625	0.118	2.572	2.688	24
Ir—S	see BAMDOI10 (2.339, 2.342, 2.467)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.2.2.1 Aryl thiolates (terminal, SAr)
S—C		1.761	1.762	0.020	1.748	1.773	127
Mn—S	all CEMSES	2.376	2.377	0.006	2.370	2.382	4
Fe—S	(4–6, ^‡), (-)	2.302	2.298	0.027	2.283	2.318	45
Co—S	(4–6), (-)	2.247	2.255	0.019	2.245	2.258	7	8
Ni—S	(4), (-)	2.215	2.217	0.017	2.195	2.230	6
Cu—S	(3–5), (I, II)	2.292	2.271	0.111	2.184	2.425	6	12
	(3), (I): (2.170, 2.188)
	(4), (II): (2.263, 2.278)
	(5), (II): (2.425, 2.425)
Zr—S	see OCBTZR (2.542)
Mo—S	(5, 6, ^‡), (-): all	2.408	2.412	0.056	2.376	2.429	31
	(5, 6), (-): all	2.402	2.411	0.044	2.374	2.427	30
Tc—S	see BUMCER (2.340, 2.353, 2.358)
Ru—S	(4, 5), (IV): all	2.238	2.214	0.067	2.204	2.258	6
	: excluding 1 of 2.373	2.210	2.211	0.010	2.202	2.219	5
Cd—S	see MERQCD10 (2.425, 2.446)
W—S	see BILRET (2.425)
Os—S	see CAJCEV (2.507)
Ir—S	(6), (III)	2.382	2.378	0.032	2.354	2.414	4
Pt—S	see BATPER (2.365), CFTPVP (2.304), MTPAPT (2.308)
Hg—S	(3, 4), (II)	2.413	2.369	0.088	2.362	2.527	7
	(3, 4), (II): excluding 2 > 2.52	2.362	2.365	0.012	2.352	2.370	5

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.2.2.2 Aryl thiolates (μ₂-SAr)
S—C		1.782	1.783	0.018	1.775	1.791	66
Mn—S	all CEMSES	2.462	2.459	0.016	2.448	2.478	10
Fe—S	(4, 5), (-)	2.318	2.331	0.052	2.263	2.370	26	151
Co—S	(4, 6), (-)	2.312	2.318	0.029	2.310	2.329	14	8, 151
Cu—S	all CBZTET10	2.288	2.285	0.026	2.264	2.304	12
Zn—S	(4), (II)	2.351	2.352	0.021	2.338	2.364	16
Mo—S	(7), (II, III)	2.513	2.534	0.044	2.456	2.548	12
Rh—S	(4, 5), (I, II)	2.352	2.361	0.038	2.307	2.382	12
Pd—S	(4), (II)	2.294	2.296	0.084	2.200	2.379	6	151
Ag—S	(3, ^‡), (I)	2.454	2.454	0.047	2.408	2.501	8	151
W—S	(6, ^‡), (-)	2.484	2.479	0.048	2.447	2.494	14
Ir—S	all HPSCIR	2.407	2.406	0.009	2.399	2.415	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.3.1.1 S-Isothiocyanate (terminal, η¹-SCN) (see also 4.5.2.1)
S—C		1.660	1.660	0.024	1.646	1.676	36
C—N		1.140	1.139	0.020	1.131	1.150	36
Cu—S	see CIKJUB (2.733), STETCU (2.606)
Rh—S	see ACOXRH (2.374, 2.385)							12
Pd—S	(4), (II)	2.351	2.362	0.029	2.329	2.374	9
Ag—S	(4, 5), (I)	2.564	2.546	0.043	2.531	2.613	6
Pt—S	(4), (II)	2.322	2.322	0.007	2.314	2.328	4
Au—S	see BACVOQ10 (2.791), BEHYUI (2.469)
Hg—S	(3, 4), (II)	2.493	2.472	0.043	2.461	2.513	11	26

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.3.1.2 S-Isothiocyanate (μ-SCN)^§ (see also 4.5.2.2)
Mn—S	see TCMNET10 (2.691)
Ni—S	see TCYENI10 (2.570)
Cu—S	(5), (II): excluding CEVLAQ (2.323), COHHIQ (2.412)	2.808	2.792	0.059	2.760	2.865	5	12
Ag—S	see CENSUJ (2.474), CENTAQ (2.496)
Cd—S	(5, 6), (II)	2.679	2.663	0.090	2.602	2.772	4
Pt—S	see TPPTCP01 (2.408)
Hg—S		2.550	2.536	0.053	2.508	2.592	8	26

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.4.1 Thioketones (terminal, η¹-S=CR₂)
S—C	(1.657, 1.603)
Mn—S	see BEHGAW (2.193)
Os—S	see CAFJUO (2.349)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.4.2 Thiourea [terminal, η¹-S=C(NH₂)₂]
S—C		1.725	1.721	0.019	1.714	1.732	40
C—N		1.322	1.324	0.016	1.315	1.332	80
Fe—S	all TDCURF	2.588	2.588	0.024	2.567	2.608	4
Co—S	see BEXTON (2.300), BOVGAU (2.281, 2.300), CTHUCO10 (2.502, 2.553)
Ni—S	see TIOUNB (2.494, 2.503, 2.520)							9
Cu—S	(3–6), (I, II): excluding 1 at 2.943	2.295	2.296	0.052	2.245	2.333	14	12
	(3, 4), (I)	2.287	2.296	0.045	2.240	2.331	12
Pd—S	all THUPDC	2.334	2.336	0.013	2.320	2.345	4
Ag—S	(3, 4), (I)	2.493	2.484	0.048	2.454	2.536	6
Re—S	see OACTUR (2.340, 2.355), OATURE (2.311)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.5.1.1 Dithiocarboxylates (terminal, η¹-S₂CR)
(None)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.5.1.2 Dithiocarboxylates (chelating, η²-S₂CR, R = any C)
S—C		1.685	1.684	0.015	1.674	1.696	44
C—C		1.483	1.479	0.025	1.461	1.505	22
Ti—S	all CSACTI	2.526	2.526	0.032	2.503	2.550	6
Mn—S	see BESBIK10 (2.344, 2.376)
Ni—S	see PTCDNI20 (2.213, 2.216)
Cu—S	see PHTHCU01 (2.400, 2.422)							9
Mo—S	(5–8), (II, IV, V): all	2.505	2.493	0.071	2.464	2.529	24
	: excluding 2 > 2.69 Å	2.486	2.485	0.035	2.464	2.518	22	44
Pd—S	all PDTHBA10	2.328	2.325	0.009	2.322	2.335	6
W—S	see CONKEV (2.471, 2.473)
Re—S	see BESBOQ10 (2.488, 2.503)
Pt—S	see CERDAE (2.321, 2.322)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.5.1.3 Dithiocarboxylates (μ₂-S₂CR, R = any C)
S—C		1.678	1.678	0.016	1.667	1.686	38
C—C		1.517	1.516	0.022	1.503	1.537	20
Ni—S	all DTPANI10	2.214	2.210	0.010	2.208	2.225	4	9
Mo—S	(5), (II)	2.464	2.465	0.008	2.458	2.470	12
Pd—S	(^‡), (II)	2.325	2.325	0.010	2.319	2.330	10
Pt—S	(5, 6), (II)	2.319	2.319	0.009	2.310	2.326	12

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.5.2.1 S-Thiocarboxylates [terminal, η¹-SC(O)R] (see also 5.5.7.1)
(None)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.5.2.2 Thiocarboxylates (η²-SOCR) (see also 5.5.7.2)
Ni—S	(6), (II)	2.453	2.452	0.016	2.444	2.456	9

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
9.5.2.3 Thiocarboxylates (μ₂-SOCR) (see also 5.5.7.3)
Ni—S	(4), (II)	2.178	2.176	0.010	2.172	2.181	8
Cu—S	all BEFJIF10	2.274	2.271	0.010	2.268	2.284	4
Rh—S	see TACDRH10 (2.256, 2.262)
Ag—S	see CEFMIJ (2.513)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.6.1.1 Dithiocarbamates (terminal, η¹-S₂CNR₂, R = any C)
(M)S—C		1.748	1.747	0.022	1.730	1.771	6
C—S		1.674	1.676	0.013	1.661	1.684	6
C—N		1.343	1.345	0.011	1.334	1.352	6
N—C(R)		1.467	1.468	0.018	1.453	1.482	12
Zn—S	see TMTCZN10 (2.299, 2.312)
W—S	see CIXKAV (2.496)
Pt—S	see IBTCPT (2.335)							24
Au—S	see AUDETC (2.333, 2.347)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.6.1.2 Dithiocarbamates (chelating, η²-S₂CNR₂, R = any C)
S—C		1.714	1.715	0.018	1.704	1.726	539
C—N		1.324	1.322	0.021	1.313	1.334	269
N—R		1.473	1.475	0.030	1.462	1.487	537
V—S	all ETCOXV	2.402	2.405	0.010	2.391	2.409	4
Cr—S	(6, 7), (II, III)	2.416	2.407	0.026	2.396	2.441	24
Mn—S	all MORTMN, MOTCMN	2.459	2.465	0.078	2.385	2.529	12	130
Fe—S	(5, 6), (0, II, IV): mostly (III), all	2.354	2.336	0.060	2.307	2.422	112	30
	: < 2.375 (mostly low spin)	2.319	2.313	0.026	2.299	2.340	78
	: > 2.390	2.436	2.434	0.020	2.428	2.449	34
Co—S	(5, 6), (III)	2.267	2.270	0.013	2.255	2.277	32
Ni—S	(4, 6), (II): excluding BDTCBR (2.261)	2.207	2.206	0.017	2.196	2.218	18
Cu—S	(4, 5), (II, III)	2.250	2.222	0.044	2.214	2.286	14	12, 152
Zn—S	(4, 5), (II)	2.436	2.452	0.056	2.406	2.466	16
Zr—S	see BOVYUG (2.635, 2.724)
Nb—S	all CAHJIE	2.602	2.586	0.054	2.565	2.632	6
Mo—S	(5–7), (II–IV): all	2.513	2.507	0.059	2.478	2.530	164
	: excluding asymmetry > 0.10	2.504	2.504	0.043	2.478	2.527	144	44, 153
Tc—S	(5, 7), (II, III, V)	2.457	2.476	0.043	2.405	2.490	14
Ru—S	(6, 7), (II–IV)	2.379	2.392	0.039	2.345	2.400	20
Rh—S	all MOTCRH	2.370	2.374	0.014	2.353	2.382	6
Pd—S	(4), (II)	2.323	2.319	0.031	2.315	2.323	18
Cd—S	all BEGNUW	2.711	2.717	0.037	2.679	2.740	6
Ta—S	all STAETC	2.577	2.559	0.056	2.538	2.613	6
W—S	(6, 7), (II, V)	2.526	2.531	0.031	2.496	2.550	6	24
Re—S	(5–7), (III–V)	2.442	2.441	0.040	2.410	2.474	20
Os—S	(6, 7), (III, IV)	2.410	2.417	0.021	2.405	2.424	20
Ir—S	all EDTCIR	2.367	2.365	0.003	2.365	2.370	4
Pt—S	see BOFJIP (2.347, 2.299)
Au—S	(4, 5), (III)	2.349	2.336	0.033	2.330	2.381	12
Hg—S	see HGETCB10 (2.399, 2.965)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.6.2.1 S-Thiocarbamates [terminal, η¹-SC(O)NR₂]
(None)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
9.6.2.2 Thiocarbamates (chelating, η²-SOCNR₂) (see also 5.5.6.2)
Ti—S	see EMTCTJ (2.477, 2.477, 2.489)
Co—S	see TMTCPC (2.584)
Zr—S	see BUWMAH (2.641), EMTCZR (2.669, 2.689)
U—S		2.869	2.870	0.005	2.865	2.874	5

Bond	Substructure (coordination number, oxidation state, comment)	Note^†
9.7.1.1 Xanthates (terminal, η¹-S₂CR)		154
C—S(Ni)	(1.720)
C=S(free)	(1.651)
C—O(Me)	(1.334)
Ni—S	see BIMMOZ (2.195)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.7.1.2 Xanthates (chelating, η²-S₂COR)								154
S—C		1.676	1.677	0.018	1.664	1.688	32
C—O		1.329	1.327	0.014	1.317	1.339	16
V—S	all BIRYOO10	2.503	2.482	0.059	2.471	2.492	12
Co—S	see CADHOE (2.254, 2.290)
Ni—S	(4, 6), (0, II)	2.407	2.418	0.056	2.346	2.455	8
Zn—S	see EXAPYZ (2.294, 2.747)
Mo—S	(5), (III)	2.517	2.516	0.009	2.508	2.525	4
Pd—S	see TXPCPD (2.328, 2.332)
Cd—S	see EXPNCD (2.647, 2.743)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
9.7.1.3 Xanthates (μ₂-S₂COR)
C—S		1.690	1.689	0.006	1.686	1.697	4
C—O	(1.330, 1.317)
Cd—S		2.567	2.570	0.026	2.541	2.589	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.7.2.1 Dithiocarbonate [terminal, η¹-SC(O)S]
(None)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
9.7.2.2 Dithiocarbonate (chelating, η²-S₂CO)
S—C		1.728	1.722	0.033	1.711	1.737	9
C—O		1.242	1.249	0.029	1.215	1.266	5
Co—S	see BELTIV10 (2.259, 2.250)
Rh—S	all MPTCRH	2.374	2.374	0.010	2.365	2.382	4
Pd—S	see BEMLUA (2.318)
Pt—S	see TCTPPU (2.340, 2.325)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
9.7.2.3 Dithiocarbonates (μ₂-S₂CO)
S—C		1.684	1.683	0.006	1.678	1.690	4
C—O	(1.336, 1.333)
Mo—S	all EDTCMO	2.478	2.478	0.002	2.475	2.480	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.8.1.1 Trithiocarbonate (terminal, η¹-CS₃)
(None)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.8.1.2 Trithiocarbonate (chelating, η²-CS₃)
Fe(S)—C	(1.719, 1.720)
C—S	(1.666)
Fe—S	see BULZIR (2.325, 2.335)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.8.1.3 Trithiocarbonate (μ-η¹, η^1′-CS₃)
(None)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.8.2.1 Thioxanthates (η¹-S₂CSR)
(None)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
9.8.2.2 Thioxanthates (chelating, η²-S₂CSR)
(M)S—C		1.692	1.692	0.012	1.684	1.700	40
C—SR		1.718	1.719	0.013	1.712	1.724	20
Cr—S	all ETXACR10	2.400	2.398	0.008	2.395	2.408	12
Fe—S	see ESEXFE10 (2.344, 2.333)
Co—S	(6), (III)	2.272	2.271	0.007	2.264	2.277	14
Ni—S	see BZTCDN (2.207, 2.211)
Cu—S	see TPTHCC (2.451, 2.439)
Mo—S	see IPTXMO (2.438, 2.454)
Pd—S	all TETCPD	2.338	2.334	0.008	2.333	2.348	6

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
9.8.2.3 Thioxanthates (μ₂-S₂CSR)
(M)S—C		1.684	1.681	0.010	1.677	1.694	4
C—SR	(1.749, 1.743)
Fe—S	(6), (III)	2.281	2.285	0.011	2.269	2.288	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.9.1.1 o-Dithioquinones (chelating, η²-C₆R₄S₂)^§								155
S—C¹		1.751	1.750	0.018	1.738	1.765	42
C¹—C^1′		1.398	1.399	0.020	1.387	1.414	23
C¹—C²		1.403	1.401	0.017	1.391	1.412	42
C²—C³		1.378	1.378	0.026	1.360	1.394	42
C³—C^3′		1.378	1.382	0.023	1.358	1.398	23
Ti—S	see BTCPTI (2.411, 2.418)
Fe—S	(4, 5), (-)	2.223	2.227	0.012	2.211	2.232	8
Co—S	(4, 5), (-)	2.131	2.115	0.028	2.111	2.167	6
Zr—S	see BZDTZR10 (2.537, 2.538, 2.554)
Nb—S	all BZDTNB10	2.441	2.439	0.011	2.432	2.452	6
Mo—S	(6, 7), (-)	2.357	2.360	0.018	2.342	2.371	5
Cd—S	all CADPEC	2.508	2.506	0.017	2.493	2.526	4
Ta—S	all PABZTA	2.428	2.424	0.036	2.396	2.463	4
Au—S	all BAMHUS	2.311	2.312	0.009	2.302	2.319	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.9.2.1 α,β-Dithiones/dithiolates {chelating, η²-[S=C(R)]₂}^§								155
S—C_α		1.725	1.725	0.019	1.711	1.738	106
C_α—C_α′		1.352	1.356	0.024	1.337	1.367	55
Ti—S	see CPMNTI (2.439, 2.455)
Fe—S	(5), (-)	2.171	2.166	0.027	2.150	2.178	16
Co—S	all PAPMCO10	2.229	2.230	0.020	2.211	2.248	4	8
Ni—S	(4), (-)	2.148	2.142	0.019	2.134	2.163	34	9
Cu—S	(4), (-)	2.258	2.258	0.013	2.250	2.264	10
Mo—S	(6), (-)	2.387	2.391	0.011	2.377	2.397	9
Ru—S	see TPRUET21 (2.282, 2.320)
Rh—S	(5), (-)	2.308	2.318	0.027	2.280	2.327	4
W—S	see ASCETU (2.364, 2.368, 2.382)
Re—S	all REPETD10	2.324	2.328	0.011	2.318	2.332	6
Pt—S	(4), (-)	2.258	2.257	0.010	2.249	2.269	14
Au—S	(4), (-)	2.301	2.305	0.012	2.289	2.311	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.9.3.1 α,α-Alkenedithiolates (chelating, η²-S₂C=CR₂)^§								155
S—C		1.734	1.736	0.023	1.715	1.749	11
C=C		1.358	1.365	0.018	1.352	1.367	6
Fe—S	see DEDTFE10 (2.288, 2.301, 2.305)
Ni—S	see ANIDED10 (2.193, 2.196)
Cu—S	see KCUDED10 (2.189, 2.199)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
9.10.1.1 Tertiary phosphine sulfides (η¹-SPR₃)
S—P		2.000	1.996	0.021	1.986	2.012	11
P—C		1.805	1.806	0.017	1.799	1.817	33
Mn—S	see BOFMOY (2.410)
Ni—S	see BOPFOB (2.194)
Cu—S	(3, 4), (I, II)	2.280	2.302	0.044	2.236	2.313	5
Mo—S	see OXCPSM10 (2.460)
Pd—S	see COSWUC (2.334), EPPTPD (2.350)
Au—S	see ZEGNOP (2.324)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.11.1.1 Dithiophosphinates (chelating, η²-S₂PR₂)
S—P		2.007	2.012	0.016	1.997	2.020	73
P—C		1.828	1.832	0.025	1.809	1.848	73
Ti—S	all ETPSTI	2.473	2.472	0.034	2.440	2.507	8
Ni—S	all DMDTPN10	2.237	2.237	0.004	2.234	2.241	4	9
Zn—S	(4), (II)	2.422	2.446	0.052	2.369	2.452	4
Mo—S	all BAVLAL11	2.535	2.538	0.033	2.504	2.565	4
Ce—S	all BIYYOX	2.990	3.003	0.033	2.956	3.012	4
Dy—S	all DCHPDY10	2.741	2.744	0.007	2.732	2.746	6
Tm—S	all BIYYUD	2.870	2.851	0.084	2.794	2.948	8
Lu—S	all DCHPLU10	2.692	2.695	0.007	2.684	2.697	6
Th—S	(8), (IV)	2.908	2.911	0.017	2.900	2.921	12
U—S	(7), (VI)	2.873	2.868	0.023	2.854	2.895	18

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
9.11.1.2 Dithiophosphinates (μ₂-η¹, η^1′-S₂PR₂)
S—P		2.015	2.019	0.009	2.005	2.023	6
P—C		1.810	1.810	0.007	1.803	1.818	6
Zn—S	see BEDBUH (2.306, 2.321)
Mo—S	all BUXMIQ	2.530	2.530	0.005	2.525	2.534	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.12.1 Disulfide (η²-S₂)								150, 156
S—S		2.053	2.054	0.026	2.036	2.072	18
V—S	see BONCIQ01 (2.393)
Nb—S	(8), (V)	2.498	2.493	0.050	2.450	2.538	6
Mo—S	(4, 5, 7), (IV–VI)	2.412	2.408	0.027	2.389	2.441	22
Re—S	see CECGOG (2.410)
Ir—S	see SPPEIR (2.389, 2.422)
U—S	see BEFBIX (2.711)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.12.2 Polysulfur ligands (η¹-SSZ, Z = any atom)								150, 156
S—S		2.053	2.047	0.038	2.026	2.072	46
Ti—S	(8), (IV)	2.432	2.434	0.017	2.416	2.448	4
V—S	(6, 8), (IV): all	2.348	2.316	0.086	2.277	2.453	6
	(6), (IV): only μ-S₂	2.294	2.299	0.026	2.268	2.316	4
Fe—S	(6), (II, III)	2.192	2.187	0.067	2.129	2.259	5
Ni—S	(4, ^‡), (-)	2.137	2.125	0.027	2.122	2.158	5
Zn—S	see TPCUMZ (2.317)
Mo—S	(5, 7), (IV, VI)	2.415	2.397	0.060	2.372	2.472	10
W—S	see CAFFEU (2.506), CPDYSW10 (2.419, 2.420)
Re—S	all COJDOU	2.257	2.259	0.017	2.240	2.271	4
Os—S	see PSTOSA (2.443)
Pt—S	(4), (II)	2.316	2.336	0.053	2.260	2.351	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.13.1.1 Dialkyl thioethers [terminal, SR₂, R = C(sp³)]								158
S—C		1.817	1.817	0.019	1.807	1.827	570
Cr—S	(6), (0)	2.397	2.418	0.043	2.348	2.428	8
Mn—S	see PSMNPC10 (2.310)
Fe—S	(5, 6), (0, II): excluding CIJYOJ	2.301	2.304	0.028	2.278	2.328	8
Co—S	(6), (II, III): all	2.316	2.263	0.106	2.243	2.456	40	8, 30
	(6), (II)	2.483	2.479	0.030	2.461	2.508	11
	(6), (III)	2.253	2.250	0.019	2.240	2.269	29
Ni—S	(4–6), (I, II): excluding PTOCNI10	2.376	2.397	0.092	2.369	2.433	30
	(6), (II)	2.416	2.399	0.037	2.391	2.440	22
Cu—S	(3–6), (I, II): all	2.364	2.343	0.082	2.318	2.385	89	86
	(3, 4), (I)	2.313	2.301	0.047	2.271	2.348	18
	(4–6), (II): excluding 3 > 2.65	2.364	2.347	0.053	2.323	2.390	68
Zn—S	see TAZTDG (2.601)
Nb—S	(6), (III–V)	2.700	2.716	0.046	2.649	2.738	6
Mo—S	(5–7), (0, II–IV): all	2.541	2.536	0.064	2.484	2.569	22
	: excluding 2 > 2.700	2.525	2.533	0.039	2.484	2.560	20
Ru—S	see BIGLAE (2.262, 2.333)
Rh—S	(5, 6, ^‡), (0–II): all	2.430	2.415	0.064	2.406	2.481	7
Pd—S	(4, 5), (II)	2.283	2.275	0.030	2.262	2.307	21
Ag—S	(3–6, ^‡), (I): all	2.669	2.624	0.164	2.558	2.803	18
Cd—S	see TDACCD10 (2.669)
La—S	see APXLAP (3.032, 3.045)
Ta—S	(6), (III)	2.657	2.634	0.067	2.619	2.706	5
W—S	see CPHMOC (2.560), ESCTHW20 (2.570)							159
Ir—S	(6), (III)	2.353	2.361	0.032	2.325	2.376	5
Pt—S	(4), (II)	2.244	2.242	0.012	2.233	2.256	4
	(6), (IV)	2.470	2.473	0.009	2.461	2.478	4
Au—S	see CIBLUU (2.275)
Hg—S	(4, 5), (II)	2.624	2.618	0.054	2.577	2.672	6	26

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
9.13.1.2 Dialkyl thioethers μ₂-SR₂, R = C(sp³)]
S—C		1.830	1.826	0.032	1.810	1.850	24
Fe—S	see OCHTPI (2.141, 2.206)
Cu—S	see DTHCUC (2.314, 2.336)
Mo—S	(6), (II, III)	2.376	2.390	0.039	2.335	2.404	4
Ag—S	(3, 5, 6), (I)	2.534	2.537	0.031	2.504	2.561	6
Ta—S	(6), (III)	2.390	2.390	0.007	2.384	2.396	5
Ir—S	see CETSIR (2.327, 2.343)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
9.13.2.1 Thioethers [terminal, SR₂, R₂ ≠ C(sp³)₂]
S—C(sp²)		1.778	1.778	0.020	1.758	1.788	55
S—C(sp³)		1.826	1.823	0.020	1.811	1.837	39
Cr—S	(6), (0)	2.384	2.384	0.014	2.370	2.391	11
Mn—S	see BATZIF (2.389), CECCIW (2.434)
Fe—S	(6), (II)	2.249	2.250	0.054	2.196	2.300	4
Co—S	see BEMNIQ (2.468, 2.502)
Ni—S	see BOSNEC (2.431, 2.473), BTZDNI (2.162, 2.165), DAPSMO (2.534)
Cu—S	(4–6), (I, II)	2.418	2.438	0.069	2.347	2.470	4
Mo—S	see FMBTMO (2.552)
Rh—S	see CETMRH (2.312), HMTNRH (2.273)
Pd—S	(4), (II)	2.295	2.292	0.008	2.290	2.302	5
Cd—S	see CEZWEJ (2.738)
Ta—S	see CIFMAF (2.706, 2.836)
W—S	see MCTCEW (2.441), MEPOSW (2.555)
Pt—S	(4), (II)	2.265	2.262	0.024	2.245	2.289	4
Hg—S	see BAVKIS (3.124, 3.131)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.14.1.1 S-SO₂ (terminal, η¹) (see also 5.20.1)								104, 160
S—O		1.421	1.428	0.041	1.389	1.454	16
Fe—S	see BOGPIW (2.109)
Ni—S	see SXPMNI01 (2.012)							9
Rh—S	see CPSXER (2.096), CSTPRH (2.450)
Pt—S	(3, 4), (0)	2.380	2.379	0.068	2.316	2.446	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.14.1.2 S-SO₂ (μ₂)								160
S—O		1.458	1.457	0.021	1.438	1.476	19
Fe—S	(6), (I)	2.253	2.258	0.032	2.222	2.280	4
Rh—S	see CACFUH (2.249, 2.235), SOCPRH (2.252)
Pt—S	(^‡), (0)	2.274	2.275	0.056	2.251	2.292	12

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.14.2 S-SO₃ (η¹)								104
S—O		1.477	1.479	0.012	1.471	1.485	33
Co—S	(6), (III)	2.230	2.227	0.024	2.206	2.252	9	8
Au—S	see ENSPAU (2.301, 2.308)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.14.3 S-SO₃R (η¹)
S—O	(1.445, 1.448)
S—O(R)	(1.619)
Pt—S	see MSTPPT (2.305)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n
9.15.1.1 η¹-RSSR
S—S		2.050	2.040	0.025	2.032	2.079	7
Co—S	see BINHUB (2.262), DSENCO (2.272)
Ni—S	see BPESNI (2.455), PMISNI (2.470)
Cu—S	see PYDSCU10 (2.396, 2.438)
Ag—S	see CONSON (2.533)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.15.1.2 μ-η¹, η^1′-RSSR
S—S	(2.063, 2.065)
Cu—S	see BIGLUY (2.332, 2.338)
Ag—S	see CONSON (2.503, 2.638)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.16.1 S-Dialkyl sulfoxides [terminal, η¹-S(O)R₂] (see 5.17.1.1)								127
S—O		1.469	1.468	0.013	1.459	1.476	43
S—C	most R = primary alkyl	1.785	1.781	0.023	1.774	1.797	88
Cr—S	see PCTXCR (2.331)
Fe—S	see SPCNFE (2.307)
Ru—S	(6), (II)	2.288	2.263	0.051	2.257	2.339	8
Rh—S	(6), (II, III): all	2.315	2.290	0.067	2.284	2.329	7
	(6), (III)	2.293	2.288	0.032	2.273	2.326	6	85
Pd—S	see PDDMSX10 (2.299)
Pt—S	(4), (II)	2.223	2.219	0.033	2.199	2.232	26

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
9.17.1 CS₂ (terminal, η²) (see also 3.22.2)
V—S	see CPCDSV (2.432, 2.444)
Fe—S	see SPHFEC10 (2.333)
Co—S	see TPHCOA (2.206)
Ni—S	see COGWOK (2.195)
Nb—S	see CPSNBA (2.503)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
10.1.1.1 Chlorine (terminal)
Ti—Cl	(-), (-): all	2.305	2.311	0.058	2.262	2.352	98
	(6), (not III)	2.281	2.294	0.048	2.247	2.316	60
	(7), (-)	2.313	2.320	0.046	2.269	2.361	8
	(8), (not III)	2.362	2.363	0.018	2.352	2.369	24
V—Cl	(-), (-): all	2.294	2.297	0.074	2.223	2.333	31
	(5), (-)	2.224	2.218	0.041	2.187	2.265	9
	(6), (not II)	2.297	2.318	0.047	2.261	2.319	17	30
Cr—Cl	(6), (-): all	2.335	2.318	0.055	2.303	2.370	9
	(6), (-)	2.309	2.316	0.018	2.299	2.319	7	147
Mn—Cl	(-), (-): all	2.445	2.465	0.087	2.361	2.518	33
	(5), (-): excluding MEIMMN	2.346	2.351	0.014	2.337	2.358	7
	(6), (II)	2.516	2.495	0.048	2.478	2.560	15
Fe—Cl	(-), (-): all	2.262	2.246	0.070	2.205	2.311	119
	(4), (II)	2.301	2.303	0.028	2.275	2.327	15
	(4), (III)	2.195	2.192	0.016	2.184	2.207	39
	(5), (III)	2.235	2.224	0.028	2.214	2.252	10
	(6), (II)	2.384	2.363	0.053	2.342	2.435	9
	(6), (III)	2.308	2.310	0.036	2.292	2.330	22
Co—Cl	(-), (-): all	2.272	2.259	0.048	2.244	2.281	191	86
	(4), (-)	2.254	2.256	0.026	2.232	2.271	96
	(6), (II)	2.414	2.417	0.057	2.348	2.468	11
	(6), (III): excluding 3 > 2.36	2.260	2.256	0.019	2.248	2.274	70
Ni—Cl	(-), (-): all	2.339	2.314	0.117	2.243	2.426	63
	(4), (II)	2.217	2.206	0.044	2.183	2.252	18
	(5), (II)	2.308	2.306	0.019	2.302	2.314	11
	(6), (II)	2.441	2.428	0.053	2.406	2.467	26
Cu—Cl	(-), (-): all	2.276	2.254	0.092	2.232	2.292	362	12
	(2), (I)	2.090	2.090	0.010	2.080	2.099	6
	(3), (I)	2.179	2.156	0.044	2.140	2.220	15
	(4), (I)	2.361	2.351	0.065	2.321	2.406	11
	(4), (II)	2.248	2.246	0.032	2.233	2.263	153
	(5), (II): all	2.323	2.276	0.123	2.240	2.362	145	86
	: short (<2.4)	2.269	2.260	0.048	2.233	2.296	116
	: long (>2.4)	2.537	2.515	0.091	2.467	2.618	29
	(6), (II): all	2.354	2.284	0.188	2.256	2.327	17
	: short (<2.4)	2.274	2.280	0.035	2.242	2.298	14
Zn—Cl	(-), (-): all	2.255	2.256	0.035	2.231	2.276	183
	(4), (-)	2.253	2.256	0.033	2.229	2.276	173
	(5), (-)	2.257	2.255	0.033	2.232	2.286	8
Zr—Cl	(-), (-): all	2.470	2.449	0.061	2.429	2.522	31
	(6), (-)	2.426	2.425	0.027	2.410	2.453	8
	(8), (-)	2.464	2.447	0.037	2.440	2.492	13
	(9), (-)	2.561	2.559	0.008	2.555	2.570	6
Nb—Cl	(-), (-): all	2.395	2.401	0.053	2.351	2.429	94
	(6), (-)	2.374	2.382	0.041	2.339	2.405	65
	(7), (-)	2.415	2.416	0.069	2.348	2.481	5
	(8), (-)	2.457	2.463	0.036	2.429	2.483	19
Mo—Cl	(-), (-): all	2.410	2.404	0.072	2.368	2.445	193
	(5), (-)	2.409	2.414	0.043	2.394	2.444	28
	(6), (-)	2.389	2.388	0.053	2.356	2.419	112	44, 85
	(7), (-)	2.481	2.474	0.049	2.440	2.524	14
Tc—Cl	(5, 6), (-): all	2.359	2.328	0.077	2.318	2.359	29	86
	(-), (not III): trans to PR₃	2.323	2.325	0.018	2.317	2.333	23	44, 85
Ru—Cl	(-), (-): all	2.416	2.416	0.049	2.386	2.441	115
	(6), (-)	2.409	2.415	0.040	2.385	2.434	102	44, 161
	(5), (-)	2.434	2.455	0.051	2.371	2.483	7
Rh—Cl	(-), (-): all	2.377	2.364	0.052	2.342	2.391	139	86
	(4), (-)	2.369	2.370	0.026	2.353	2.387	40
	(5), (-)	2.400	2.388	0.053	2.363	2.437	23
	(6), (-)	2.374	2.354	0.060	2.335	2.393	76	86
Pd—Cl	(-), (-): all	2.331	2.312	0.067	2.298	2.356	248
	(4), (-)	2.326	2.312	0.043	2.298	2.354	224
	(5), (-): excluding 2 > 2.8	2.345	2.320	0.045	2.316	2.376	13
Ag—Cl	see AGSURE10 (2.854), CMURAG (2.650), PMBPAG10 (2.502)							145
Cd—Cl	(-), (-): all	2.499	2.471	0.085	2.443	2.550	45
	(4), (-)	2.448	2.451	0.023	2.436	2.458	18
	(6), (-): all	2.556	2.550	0.085	2.495	2.591	22
	(6), (-): excluding 2 > 2.7	2.536	2.546	0.055	2.494	2.581	20
La—Cl	see CERKUF (2.751)
Ce—Cl	see CLCAME01 (2.594, 2.605, 2.619)
Pr—Cl	see TPYRPR (2.877)
Nd—Cl	see BIDNEH (2.871), BOKPEW (2.666, 2.670)
Er—Cl	see BOBWAQ (2.613, 2.620)
Yb—Cl	see BAWLAM (2.593), BAWLEQ (2.594, 2.596)
Hf—Cl	see BIHWUK (2.365), CTMSIC (2.436)
Ta—Cl	(-), (-): all	2.399	2.388	0.068	2.355	2.440	119
	(6), (-)	2.383	2.375	0.055	2.349	2.418	83
	(7), (-)	2.428	2.404	0.067	2.380	2.445	15
	(7), (-): excluding 2 > 2.5	2.406	2.398	0.034	2.378	2.439	13	30
	(8), (-)	2.463	2.497	0.088	2.383	2.541	17
	(8), (-): excluding 4 < 2.4 from COWSOW	2.505	2.510	0.046	2.462	2.544	13
W—Cl	(-), (-): all	2.408	2.395	0.059	2.370	2.433	124
	(5), (-)	2.390	2.393	0.030	2.374	2.409	19
	(6), (-)	2.392	2.388	0.045	2.364	2.422	80
	(7), (-)	2.472	2.453	0.056	2.428	2.529	12
Re—Cl	(-), (-): all	2.389	2.380	0.062	2.355	2.411	116	86
	(5), (-)	2.368	2.378	0.026	2.355	2.387	14
	(6), (-): excluding 3 long > 2.49	2.380	2.378	0.042	2.355	2.409	90	85, 162
Os—Cl	(5, 6), (-): all	2.368	2.361	0.077	2.307	2.411	54
	(6), (-)	2.357	2.357	0.053	2.307	2.389	50	44, 85
Ir—Cl	(-), (-): all	2.390	2.370	0.051	2.355	2.429	83
	(4), (-)	2.389	2.381	0.055	2.355	2.418	11
	(5), (-)	2.380	2.368	0.038	2.356	2.416	7
	(6), (-): all	2.391	2.370	0.052	2.353	2.439	65	30
	: short (<2.4)	2.361	2.359	0.020	2.349	2.372	46
	: long (>2.4)	2.463	2.465	0.028	2.440	2.470	19
Pt—Cl	(-), (-): all	2.324	2.310	0.038	2.297	2.348	354	41, 86
	(4), (-)	2.323	2.308	0.038	2.297	2.349	293	86
	(5), (-)	2.330	2.321	0.048	2.303	2.346	15
	(6), (-)	2.326	2.316	0.036	2.306	2.327	42
Au—Cl	(-), (-): all	2.301	2.276	0.094	2.271	2.287	54	86, 144
	(4), (not I, II)	2.276	2.276	0.010	2.270	2.284	36
Hg—Cl	(-), (-): all	2.423	2.391	0.120	2.328	2.480	101	86, 26
	(2), (-)	2.330	2.332	0.018	2.317	2.350	11
	(3), (-)	2.292	2.289	0.016	2.281	2.305	5
	(4), (-): all	2.447	2.440	0.121	2.349	2.521	68
	: excluding 3 > 2.76	2.430	2.437	0.091	2.348	2.480	65
Th—Cl	(7, 8), (-): all	2.728	2.752	0.039	2.690	2.756	8
U—Cl	(-), (-): all	2.646	2.653	0.046	2.625	2.671	61
	(6), (-): all	2.644	2.656	0.045	2.625	2.621	40
	: excluding 2 < 2.254	2.653	2.656	0.023	2.630	2.671	38
	(8), (-)	2.642	2.651	0.028	2.614	2.659	14

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
10.1.1.2 Chlorine (μ₂-Cl)								134
Ti—Cl	(6–8), (III, IV): all	2.520	2.536	0.039	2.486	2.545	24
	(6, 7), (IV)	2.459	2.465	0.017	2.438	2.473	6
	(7, 8), (III)	2.541	2.540	0.014	2.532	2.548	18
V—Cl	(6), (II): all CANZUM	2.476	2.474	0.006	2.472	2.482	6
Cr—Cl	see CATSEV (2.372, 2.377)
Mn—Cl	(5–6), (I, II): all	2.539	2.555	0.066	2.512	2.575	18
	(6), (II)	2.559	2.559	0.046	2.532	2.583	14
Fe—Cl	(5, ^‡), (-)	2.306	2.289	0.027	2.288	2.341	6
Co—Cl	(6), (II)	2.397	2.403	0.026	2.370	2.417	4
Ni—Cl	(4–6), (II): all	2.372	2.404	0.093	2.242	2.426	36	9
	(5, 6), (II)	2.426	2.410	0.051	2.384	2.459	20	86
	(5, 6), (II)	2.402	2.402	0.025	2.382	2.422	14	151
	(4), (II)	2.238	2.236	0.005	2.235	2.239	10
Cu—Cl	(3–6, ^‡), (I, II): all	2.337	2.313	0.098	2.280	2.359	66	12
	(3), (I)	2.275	2.276	0.021	2.263	2.280	12
	(4), (I)	2.364	2.360	0.065	2.307	2.411	10
	(4), (II)	2.343	2.347	0.039	2.303	2.383	8
	(5), (II): all	2.367	2.315	0.137	2.296	2.519	26	30
	: short (<2.34)	2.284	2.306	0.058	2.276	2.315	18
	: long (>2.50)	2.554	2.554	0.041	2.519	2.574	8
Zn—Cl	(4), (II)	2.364	2.359	0.019	2.351	2.372	6
Y—Cl	(8, 9), (III)	2.710	2.699	0.042	2.678	2.754	4
Zr—Cl	(6, 8), (III, IV)	2.588	2.576	0.053	2.541	2.638	6
Nb—Cl	(6–8), (II–IV)	2.531	2.512	0.048	2.503	2.567	26
Mo—Cl	(6, 7), (II–V)	2.486	2.486	0.040	2.473	2.509	40	85
Tc—Cl	see OXPTCC (2.679)
Ru—Cl	(6, ^‡), (II–IV)	2.428	2.427	0.056	2.377	2.486	12	85
Rh—Cl	(4–6, ^‡), (I–III): all	2.444	2.417	0.064	2.393	2.478	34
	(4), (-)	2.408	2.406	0.025	2.391	2.414	18
	(5), (I)	2.578	2.584	0.030	2.546	2.603	4
	(6), (-)	2.470	2.476	0.042	2.457	2.500	16
Pd—Cl	(4, 5), (II): all	2.419	2.416	0.065	2.382	2.463	50
	(4), (II): all	2.404	2.407	0.058	2.342	2.438	42
	: Pd—Cl—Pd > 85°	2.432	2.425	0.063	2.389	2.472	14
	: Pd—Cl—Pd < 85°	2.390	2.401	0.051	2.332	2.429	28
Ag—Cl	see BEBGEU (2.618, 2.639)
Cd—Cl	(6, ^‡), (-)	2.629	2.628	0.043	2.602	2.653	52
Pr—Cl	see BAMZUK (2.805, 2.821)
Yb—Cl	see MCPYBC (2.627, 2.647)
Ta—Cl	(6, 8), (-): all	2.513	2.510	0.049	2.477	2.553	26
	: Ta—Cl—Ta < 70°	2.501	2.500	0.040	2.475	2.543	22
	: Ta—Cl—Ta > 90°	2.584	2.573	0.037	2.556	2.624	4
W—Cl	(6), (II, III, V): all	2.514	2.549	0.097	2.393	2.598	6
Re—Cl	(6, ^‡), (I, III, IV): all	2.456	2.426	0.060	2.399	2.515	35	30, 85
	(^‡), (-)	2.409	2.415	0.016	2.393	2.422	12
	(6), (-): all	2.481	2.509	0.059	2.439	2.517	23
	: Re—Cl—Re > 83°	2.514	2.515	0.012	2.502	2.525	17
	: Re—Cl—Re < 70°	2.385	2.391	0.026	2.359	2.405	6
Os—Cl	(6), (-): all	2.430	2.431	0.023	2.410	2.450	4
Ir—Cl	(6), (III): all	2.442	2.428	0.060	2.392	2.455	12
Pt—Cl	(4, 6), (-): all	2.455	2.496	0.073	2.401	2.506	12
	(4), (-)	2.363	2.359	0.050	2.320	2.410	4
	(6), (-)	2.501	2.501	0.010	2.495	2.506	8
Hg—C	(4–6), (II): all	2.757	2.728	0.122	2.686	2.780	20
	: excluding TAMHGC	2.723	2.719	0.062	2.681	2.762	18
U—Cl	(8), (-): all PMCPUC10	2.900	2.905	0.014	2.882	2.912	6

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
10.1.1.3 Chlorine (μ₃-Cl)
Ti—Cl	see COTTIC10 (2.557, 2.609)
Co—Cl	see EFASCO01 (2.479)
Cu—Cl	(4, ^‡), (I, II): all asymmetric	2.476	2.464	0.139	2.369	2.527	24	12
Nb—Cl	see BUVCAW10 (2.524, 2.945, 2.817)
Mo—Cl	see CIKHOT (2.484, 2.490, 2.513)
Pd—Cl	see CEHMOR (2.520, 2.520, 2.525)
Ag—Cl	(4), (I)	2.653	2.642	0.073	2.600	2.724	12
Cd—Cl	(6), (II)	2.740	2.738	0.057	2.700	2.783	9
W—Cl	see TMPHWE (2.462, 2.465, 2.476)
Hg—Cl	see CEGNAD (2.519, 2.937, 3.115), METHGD (2.715, 2.922, 3.065)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
11.1.1 Arsines (AsR₃, R = any C)								137
As—C		1.943	1.943	0.021	1.931	1.955	405
Ti—As	see CIRHUG (2.692, 2.690), PASETI (2.677)
Cr—As	(6), (0)	2.460	2.467	0.040	2.417	2.494	4	38
Mn—As	(6), (0, I)	2.400	2.405	0.013	2.387	2.410	6
Fe—As	(5, 6, ^‡), (0, II)	2.352	2.339	0.043	2.328	2.362	8
Co—As	(5, 6, ^‡), (-)	2.323	2.326	0.021	2.307	2.337	16	8
Ni—As	(4–6), (-): excluding CMASNI	2.333	2.340	0.035	2.309	2.356	11	9
Cu—As	(4, ^‡), (I)	2.367	2.369	0.016	2.362	2.380	8
Nb—As	(8), (IV, V)	2.741	2.739	0.008	2.735	2.750	5
Mo—As	(6, 7), (II)	2.582	2.583	0.036	2.546	2.618	8
Tc—As	all DASTCA10	2.512	2.511	0.005	2.508	2.517	4
Ru—As	(5, 6, ^‡), (-)	2.446	2.450	0.031	2.415	2.475	12
Rh—As	(4–6), (I, III): all	2.416	2.400	0.039	2.394	2.427	12
	(4–6), (I)	2.400	2.399	0.015	2.392	2.409	10
Pd—As	(4, 6), (II, IV)	2.386	2.387	0.052	2.339	2.441	12
	(4), (II)	2.372	2.376	0.046	2.334	2.401	10
Re—As	all PASMRE	2.575	2.573	0.006	2.570	2.582	4
Pt—As	(3–5), (0, II)	2.366	2.387	0.058	2.318	2.402	11

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
11.2 Arsenic ligands (all types except AsR₃)
V—As	see BAJZER (2.536)
Cr—As	(6), (-): μ₃-As, μ-AsR₂, μ-AsR, η¹-As₂R₂, η¹-As₂R₄	2.431	2.417	0.050	2.386	2.480	23	38
Mn—As	(6), (-): μ₃-As, μ-AsR₂, etc.	2.375	2.319	0.126	2.247	2.508	11	30
	: short (<2.32)	2.269	2.250	0.039	2.240	2.319	6
	: long (>2.46) (μ-AsR₂)	2.502	2.508	0.029	2.476	2.525	5
Fe—As	(4–6, ^‡), (-): η¹-As₄O₅, μ₃-AsR, μ₂-AsR₂ etc.	2.349	2.326	0.057	2.315	2.377	38
	: μ₂-AsR₂, μ₃-AsR only	2.341	2.327	0.041	2.315	2.376	31
Co—As	(4–6, ^‡), (-): μ-AsR₂, (OAsR₂)₂, As₂ etc.	2.316	2.308	0.050	2.270	2.368	24
Ni—As	see CADYAH (2.262), IATCNI (2.736)
Mo—As	(6, 7, ^‡), (-): μ-AsR₂, μ₃-As, μ-As₂, μ-As₅	2.582	2.563	0.092	2.546	2.664	30
Ru—As	(^‡), (-): μ-AsR₂	2.420	2.418	0.029	2.394	2.447	6
Rh—As	see COSTEJ (2.470, 2.490)
Pd—As	see COWGEA (2.447, 2.478)
W—As	see BEBREF (2.549, 2.558), BIGHAA (2.351)
Os—As	see BAHHOH (2.481, 2.483)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
12.1 Selenium ligands (all types)								158, 163
Cr—Se	see BAMCOH (2.562), BELFUT (2.453)
Mn—Se	see BUJBIR (2.356, 2.358, 2.486, 2.481)
Fe—Se	(-), (-): μ- and μ₃-Se; μ-SeR	2.393	2.399	0.038	2.359	2.424	13
Ni—Se	(4, 6), (II, IV): chelating SeR etc.; excluding TMRNSN (2.678)	2.351	2.357	0.040	2.319	2.387	12
Cu—Se	see APROCU (3.109)
Zr—Se	see COMYUY (2.639, 2.670)
Mo—Se	see TFMESM (2.491)
Rh—Se	all CEGCOG	2.457	2.457	0.002	2.455	2.460	4
Ag—Se	see CONSUT (2.581, 2.616, 2.711)
W—Se	see COLFEO (2.635, 2.637) SNSCRB (2.735)
Re—Se	see BIZZAL (2.572, 2.585)
Os—Se	see SECPOS (2.541, 2.553)
Ir—Se	see BOHDUX (2.529, 2.539)
Pt—Se	see BESSAT (2.443, 2.461), BIHSAM (2.400, 2.376), BSEMEP (2.598, 2.590)
Hg—Se	see BEGPUY (2.624, 2.615), CICLOP (2.637), DPSEHG01 (2.653, 2.918), MSEUHG (2.477)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
13.1.1.1 Bromine (terminal)
Cr—Br	see TBCBFE (2.577)
Mn—Br	(-), (-): all	2.588	2.548	0.094	2.534	2.685	8
	(6), (not II)	2.541	2.539	0.010	2.534	2.551	4
Fe—Br	see BAVHEL (2.494), BPEPFE (2.368), BTPPFE (2.348)
Co—Br	(-), (-): all	2.416	2.390	0.086	2.383	2.401	14
	(4), (-)	2.384	2.388	0.017	2.381	2.390	7
	(6), (not II)	2.389	2.394	0.015	2.374	2.399	5
Ni—Br	(-), (-): all	2.410	2.372	0.098	2.339	2.458	47
	(4), (not I)	2.341	2.343	0.029	2.309	2.368	23
	(5), (-): all	2.428	2.391	0.101	2.353	2.458	12
	: short (<2.5)	2.389	2.380	0.044	2.348	2.427	10
	(6)	2.554	2.548	0.028	2.536	2.572	9
Cu—Br	(-), (-): all	2.412	2.400	0.109	2.357	2.428	60	12
	(3), (I)	2.298	2.284	0.028	2.280	2.325	6
	(4), (-)	2.393	2.387	0.042	2.356	2.425	22
	(5), (-): all	2.465	2.419	0.121	2.392	2.480	29
	: short (<2.46)	2.407	2.401	0.023	2.390	2.423	22
	: long (>2.50)	2.648	2.598	0.124	2.547	2.732	7
Zn—Br	(-), (-): all	2.390	2.395	0.029	2.360	2.417	17
	(4), (-)	2.386	2.393	0.028	2.357	2.399	15
Mo—Br	(-), (-): all	2.616	2.595	0.071	2.568	2.654	32
	(6), (-)	2.603	2.587	0.042	2.574	2.625	13	85
	(7), (-)	2.651	2.655	0.049	2.625	2.676	9
Tc—Br	see CAKGIE (2.440)
Ru—Br	(6), (II): all	2.521	2.538	0.035	2.477	2.547	6
Rh—Br	(-), (-): all	2.530	2.526	0.039	2.500	2.564	13
	(6), (-)	2.536	2.529	0.033	2.521	2.562	10
Pd—Br	(4), (-): all	2.458	2.434	0.061	2.412	2.538	11
	(4), (not I): all	2.450	2.433	0.057	2.410	2.469	10
	: excluding 2 > 2.53	2.424	2.430	0.018	2.406	2.439	8
Ag—Br	see BTCMAN (2.450)
Cd—Br	(-), (-): all	2.611	2.582	0.064	2.569	2.659	6
	(4), (-)	2.588	2.576	0.032	2.567	2.622	4
Ta—Br	see BOBXOF (2.604)
W—Br	(6, 7), (-): all	2.619	2.611	0.042	2.590	2.644	8
Re—Br	(5–7), (-): all	2.573	2.603	0.065	2.493	2.627	15
	(6, 7), (-)	2.606	2.613	0.039	2.563	2.629	11
Os—Br	see BRFOSA10 (2.627), CIRJAO (2.558), COVVUE (2.545)
Ir—Br	(5, 6), (-): all	2.580	2.593	0.054	2.518	2.633	8
Pt—Br	(-), (-): all	2.460	2.437	0.054	2.421	2.503	22
	(4), (II): all	2.438	2.426	0.040	2.417	2.446	14
	: excluding 2 > 2.5	2.424	2.423	0.018	2.414	2.434	12
Au—Br	(-), (-): all	2.413	2.407	0.028	2.387	2.435	9
	(3, 4), (-)	2.417	2.411	0.028	2.390	2.438	8
Hg—Br	(-), (-): all	2.539	2.519	0.089	2.499	2.549	14
	(4), (-): all	2.555	2.529	0.089	2.508	2.560	11
	: excluding 2 > 2.70	2.517	2.509	0.028	2.493	2.540	9
U—Br	(6), (-): all	2.797	2.800	0.030	2.770	2.828	13

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
13.1.1.2 Bromine (μ₂-Br)								134
Ti—Br	see BMCPTI (2.705, 2.722)
Cr—Br	see BIWBEO (2.575, 2.607)
Mn—Br	see TMAMNB01 (2.698, 2.711)
Fe—Br	see BVINBF (2.443, 2.463)
Ni—Br	(5), (II)	2.494	2.483	0.047	2.460	2.519	6	9
Cu—Br	(-), (-): all	2.494	2.471	0.061	2.451	2.548	20	12
	(3, 4), (I)	2.483	2.469	0.057	2.451	2.487	12
Mo—Br	(6), (-)	2.667	2.641	0.047	2.636	2.724	6
Tc—Br	see CAWBAD (2.843)
Ru—Br	(-), (-)	2.572	2.576	0.031	2.537	2.599	6	85
Rh—Br	(6), (III)	2.594	2.582	0.029	2.573	2.630	6
Cd—Br	(-), (-)	2.776	2.753	0.055	2.730	2.843	6
Re—Br	(-), (-)	2.651	2.659	0.027	2.635	2.670	20
Ir—Br	(6), (III): all PMCBRI	2.570	2.570	0.006	2.565	2.576	4
Pt—Br	(6), (IV): all BSEMEP	2.629	2.630	0.007	2.622	2.635	4
Hg—Br	(4), (II): all [Hg₂Br₆]²⁻	2.762	2.754	0.047	2.720	2.810	4

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
13.1.1.3 Bromine (μ₃-Br)
Cu—Br	(4, ^‡), (I): all	2.543	2.544	0.066	2.491	2.599	13	12
Cd—Br	see CAHGOH (2.925, 2.971, 3.005)

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
14.1 Tellurium (all ligand types)								158, 163, 164
Cr—Te	see COSSAE (2.801, 2.813)
Mn—Te	(-), (-): μ₂- and μ₃-Te	2.486	2.474	0.027	2.464	2.515	5
Fe—Te	(-), (-): μ-TeR, μ₃-Te	2.560	2.551	0.056	2.538	2.576	13
Mo—Te	see HTEMOA (2.791)
Pt—Te	see CEXNAU (2.575)
Hg—Te	(-), (-): Ph₂Te, PhTe	2.732	2.717	0.055	2.687	2.786	5

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
15.1.1.1 Iodine (terminal)
V—I	see BIVGAO (2.653)
Cr—I	see CPAINC (2.669), CPCBCR (2.781)
Mn—I	see ICPNMN (2.645)
Fe—I	(-), (-): all	2.593	2.599	0.050	2.548	2.632	10
	(6), (II)	2.623	2.624	0.027	2.599	2.645	5
Co—I	(-), (-): all	2.640	2.611	0.094	2.563	2.743	8
	: not (6), (II)	2.593	2.575	0.042	2.559	2.644	6
Ni—I	(-), (-): all	2.673	2.626	0.150	2.545	2.804	22
	(4), (-)	2.514	2.516	0.026	2.489	2.538	5
	(5), (II): all	2.706	2.658	0.151	2.605	2.834	11	30
	: short <2.67	2.608	2.609	0.047	2.550	2.658	7
	: long > 2.83	2.877	2.848	0.099	2.804	2.980	4
	(6), (II)	2.810	2.821	0.087	2.724	2.885	4
Cu—I	(-), (-): all	2.594	2.563	0.077	2.528	2.664	12
	(3), (I): not CENFAC01	2.534	2.531	0.026	2.511	2.561	6	12
	(5), (II)	2.682	2.674	0.043	2.647	2.725	4
Zn—I	(-), (-): all	2.574	2.561	0.036	2.549	2.599	12
	(4), (-)	2.564	2.556	0.024	2.547	2.578	10
Zr—I	see COPVIM (2.897), COPVOS (2.869)
Mo—I	(-), (-): all	2.867	2.848	0.135	2.777	2.878	35	30
	(6), (-)	2.797	2.773	0.065	2.758	2.866	12	85
	(7), (-)	2.855	2.858	0.027	2.823	2.873	11
	(8), (-)	2.841	2.848	0.039	2.809	2.870	5
Ru—I	(6, 7), (II, IV): all	2.744	2.743	0.028	2.719	2.770	6
	(6), (II)	2.742	2.732	0.031	2.716	2.774	5
Rh—I	(-), (-): all	2.715	2.701	0.071	2.663	2.766	12
Pd—I	(-), (-): all	2.624	2.602	0.040	2.593	2.658	15
	(4), (not I)	2.612	2.601	0.027	2.593	2.641	13
Ag—I	see BEVMAQ (2.828)
Cd—I	(-), (-): all	2.750	2.714	0.082	2.705	2.794	12	30
	(4), (-)	2.704	2.708	0.014	2.691	2.714	8
Yb—I	see BAWKUF (3.027)
W—I	(6, 7), (-): all	2.840	2.869	0.063	2.802	2.878	7
	(7), (II)	2.864	2.876	0.036	2.836	2.888	5
Re—I	(4–6), (-): all	2.718	2.764	0.079	2.625	2.786	13	30
	(5), (-)	2.630	2.621	0.020	2.617	2.647	5
	(6), (-)	2.784	2.772	0.021	2.765	2.806	7
Os—I	(-), (-): all	2.774	2.760	0.055	2.733	2.817	6
	(6), (II)	2.758	2.760	0.035	2.724	2.790	4
Ir—I	(-), (-): all	2.729	2.691	0.089	2.681	2.752	10	86
	(6), (III)	2.685	2.687	0.008	2.679	2.691	5
Pt—I	(-), (-): all	2.658	2.651	0.082	2.606	2.668	28	86
	(4), (II)	2.622	2.604	0.050	2.581	2.666	11
	(6), (IV): excluding COTDOE (2.843)	2.652	2.654	0.020	2.647	2.667	15
Au—I	see BESBEG (2.536, 2.551), CIYMIG (2.857), IFPPAU (2.599)
Hg—I	(-), (-): all	2.702	2.691	0.059	2.669	2.743	20
	(4), (-)	2.708	2.695	0.050	2.674	2.743	16

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
15.1.1.2 Iodine (μ₂-I)								134
Mn—I	(6), (I): all COGSIA	2.719	2.725	0.014	2.705	2.726	4
Fe—I	see PCRNIB (2.591, 2.605)
Ni—I	see EAPZNI (2.755, 2.760)
Cu—I	(-), (-): all	2.675	2.660	0.107	2.602	2.703	28	12
	(3, 4), (-): all	2.647	2.660	0.051	2.591	2.688	25
	(3), (-)	2.578	2.577	0.012	2.567	2.589	4
	(4), (-)	2.661	2.660	0.044	2.642	2.692	21
Mo—I		2.830	2.818	0.056	2.797	2.860	10
Ru—I	see IPHPRU (2.685, 2.711)
Rh—I	(6), (III)	2.730	2.734	0.014	2.715	2.741	4
Pd—I	see CODJAG (2.665, 2.723)
Ag—I	(4), (I)	2.907	2.914	0.019	2.887	2.918	4
W—I	see BURFOJ (2.831, 2.862)
Re—I	(-), (I)	2.817	2.816	0.015	2.804	2.830	6
Ir—I	(6), (III)	2.710	2.712	0.005	2.706	2.713	6
Pt—I	(4), (II): all CODHIM	2.559	2.560	0.003	2.556	2.561	4	85
Hg—I	(4), (II)	2.927	2.931	0.039	2.891	2.957	6

Bond	Substructure (coordination number, oxidation state, comment)	d	m	σ	q_l	q_u	n	Note^†
15.1.1.3 Iodine (μ₃-I)
Cu—I	(-), (I): all	2.690	2.694	0.052	2.663	2.726	95	12
Ag—I	(-), (I): all	2.905	2.886	0.074	2.841	2.976	17

^†See Appendix 9.6.1

.
^‡Cluster complexes, no coordination number assigned.
^§See Fig. 9.6.3.1

Let us say one wished to find typical lengths for cobalt–triethylphosphine (Co—PEt₃) bonds. Table 9.6.3.1 shows that PEt₃, a tertiary phosphine, falls under ligand class 8.5. In Table 9.6.3.3 , the section dealing with such ligands starts with 8.5.1 (trimethylphosphine) followed by 8.5.2 (triethylphosphine). Under this section, we find that Co—PEt₃ bonds average 2.208 Å in length (with sample standard deviation σ = 0.039 Å), and in cobaltacarbaboranes the average is 2.224 Å, and for (η-C₅H₅CoL₂) species the average is 2.147 Å.

Polydentate ligands with different elements able to act as contact atoms present particular difficulty. The convention we have adopted is to place the individual M—L interatomic distances under separate entries according to the contact element. Thus, thiocyanate (SCN) appears in ligand class 4.4.5 when N-bonded (i.e. isothiocyanate M—NCS) and in ligand class 9.3 when S-bonded (M—SCN). When bridging with both S and N bonded to metals (as in M—NCS—M′), then the M—N distances (as well as all intraligand distances) will be under ligand class 4.5 and M′—S distances under ligand class 9.3. Thus, in such cases the intraligand dimensions will accompany the metal–ligand distances in the first ligand class (i.e. the lower-numbered class).

9.6.4. Discussion

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Table 9.6.3.3 has been derived from the CSD, and, as a result, does not contain every precisely determined metal–ligand interatomic distance. For example, there are many ammine (M—NH₃), carbonyl (M—CO), halide (M—Cl etc.), and aqua (M—OH₂) complexes that do not fall within the scope of the CSD. For such bond types, and other metal–non-metal bond-length information, the interested reader is referred to the Inorganic Crystal Structure Database (Bergerhoff, Hundt, Sievers & Brown, 1983 ).

The tabulation given here is a first attempt to obtain average dimensions for (d- and f-block) metal–ligand and intraligand bonds. Inspection of Table 9.6.3.3 shows that, in general, the sample standard deviations of metal–contact-atom interatomic distances are typically larger than those of the intraligand distances [e.g. for Fe—PPh₃ complexes (section 8.5.3), Fe—P mean 2.237, σ 0.038 Å, cf. P—C mean 1.834, σ 0.011 Å]. There are several factors that cause this phenomenon. Firstly, in many (but not all) cases no account has been taken of substituent effects at the metal, such as the trans influence of other ligands. In contrast, the substituent pattern at the ligand is usually well defined; therefore, the chemical causes for variation in the metal–ligand and intraligand distances are different. Secondly, it is likely that metal–ligand bonds are softer, i.e. have lower force constants, than the intraligand bonds, leading to a broader distribution of distances whatever the cause of variation. Finally, it should be noted that a substantial contribution to the standard deviation of both metal–ligand and intraligand distances comes from random errors arising most importantly from the rather poor location of light (B, C, N, O, F) atoms in the presence of 5d, 4f, and 5f metals (La–U). For example, C—O bond lengths in carbonyl complexes (section 3.7.1) of the individual 3d metals show sample standard deviations (σ) in the range 0.011–0.024 Å, while the 5d metals have σ in the range 0.023–0.035 Å. This last effect is somewhat reduced by the screening on the AS flag, as described above. While other contributions to the variance in interatomic distances undoubtedly play a part, readers should be aware of these various factors when making use of the averages and other statistics of Table 9.6.3.3 . In the longer term, as more structures are determined, it will become possible to derive more precise averages by further subdivision of the distributions represented in Table 9.6.3.3 .

Appendix A9.6.1

A9.6.1. Notes and references to Tables 9.6.3.2 and 9.6.3.3

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(1) T. J. Marks & R. D. Ernst (1982). Comprehensive organometallic chemistry, Vol. 3, pp. 173–270. London: Pergamon Press.

(2) D. Cozak & M. Melník (1986). Coord. Chem. Rev. 74, 53–99.

(3) M. Melník & D. Cozak (1986). Rev. Inorg. Chem. 8, 221–286.

(4) C. E. Holloway & M. Melník (1985). Rev. Inorg. Chem. 7, 75–160.

(5) C. E. Holloway & M. Melník (1986). Rev. Inorg. Chem. 8, 287–335.

(6) C. E. Holloway & M. Melník (1986). J. Organomet. Chem. 304, 41–82.

(7) L. F. Larkworthy, K. B. Nolan & P. O'Brien (1987). Comprehensive coordination chemistry, Vol. 3, pp. 699–969. London: Pergamon Press.

(8) D. A. Buckingham & C. R. Clark (1987). Comprehensive coordination chemistry, Vol. 4, pp. 635–900. London: Pergamon Press.

(9) L. Sacconi, F. Mani & A. Bencini (1987). Comprehensive coordination chemistry, Vol. 5, pp. 1–347. London: Pergamon Press.

(10) K. Nag & A. Chakravorty (1980). Coord. Chem. Rev. 33, 87–147.

(11) B. J. Hathaway (1984). Struct. Bonding (Berlin), 57, 55–118.

(12) B. J. Hathaway (1987). Comprehensive coordination chemistry, Vol. 5, pp. 553–774. London: Pergamon Press.

(13) C. E. Holloway, I. M. Walker & M. Melník (1986). Rev. Inorg. Chem. 8, 170–220.

(14) C. E. Holloway & M. Melník (1985). Rev. Inorg. Chem. 7, 161–250.

(15) S. W. Kirtley (1982). Comprehensive organometallic chemistry, Vol. 3, pp. 1079–1148. London: Pergamon Press.

(16) M. Melník & P. Sharrock (1985). Coord. Chem. Rev. 65, 49–85.

(17) G. Bandoli, U. Mazzi, E. Roncari & E. Deutsch (1982). Coord. Chem. Rev. 44, 191–227.

(18) M. Melník & J. E. Van Lier (1986). Coord. Chem. Rev. 77, 275–324.

(19) D. G. Tuck (1979). Rev. Inorg. Chem. 1, 209–243.

(20) F. A. Hart (1987). Comprehensive coordination chemistry, Vol. 3, pp. 1059–1127. London: Pergamon Press.

(21) K. N. Raymonds & C. W. Eigenbrot Jr (1980). Acc. Chem. Res. 13, 276–283.

(22) J.-C. G. Bünzli & D. Wessner (1984). Coord. Chem. Rev. 60, 191–253.

(23) C. E. Holloway & M. Melník (1985). Rev. Inorg. Chem. 7, 1–74.

(24) S. W. Kirtley (1982). Comprehensive organometallic chemistry, Vol. 3, pp. 1255–1319. London: Pergamon Press.

(25) M. Melník & R. V. Parrish (1986). Coord. Chem. Rev. 70, 157–257.

(26) K. Brodersen & H. U. Hummel (1987). Comprehensive coordination chemistry, Vol. 5, pp. 1047–1097. London: Pergamon Press.

(27) R. G. Teller & R. Bau (1981). Struct. Bonding (Berlin), 44, 1–82.

(28) K. B. Gilbert, S. K. Boocock & S. G. Shore (1982). Comprehensive organometallic chemistry, Vol. 6, pp. 879–945. London: Pergamon Press.

(29) R. N. Grimes (1982). Comprehensive organometallic chemistry, Vol. 1, pp. 459–542. London: Pergamon Press.

(30) Distribution is bimodal.

(31) G. E. Herberich (1982). Comprehensive organometallic chemistry, Vol. 1, pp. 381–410. London: Pergamon Press.

(32) W. Siebert (1980). Adv. Organomet. Chem.18, 301–340.

(33) G. E. Herberich & H. Ohst (1985). Adv. Organomet. Chem. 25, 199–236.

(34) J. S. Bradley (1982). Adv. Organomet. Chem. 22, 1–58.

(35) M. Tachikawa & E. L. Muetterties (1981). Prog. Inorg. Chem. 28, 203–238.

(36) M. A. Gallop & W. R. Roper (1985). Adv. Organomet. Chem. 25, 121–198.

(37) H. P. Kim & R. J. Angelici (1987). Adv. Organomet. Chem. 27, 51–111.

(38) S. W. Kirtley (1982). Comprehensive organometallic chemistry, Vol. 3, pp. 783–951. London: Pergamon Press.

(39) J. Holton, M. F. Lappert, R. Pearce & P. I. W. Yarrow (1983). Chem. Rev. 83, 135–201.

(40) M. I. Bruce & A. G. Swincer (1982). Adv. Organomet. Chem. 22, 59–128.

(41) F. R. Hartley (1982). Comprehensive organometallic chemistry, Vol. 6, pp. 471–762. London: Pergamon Press.

(42) E. Sappa, A. Tiripicchio & P. Braunstein (1985). Coord. Chem. Rev. 65, 219–284.

(43) Distances for M—C—N ≥ 173° only.

(44) Distances for ligands trans to oxo excluded.

(45) Y. Yamamoto (1980). Coord. Chem. Rev. 32, 193–233.

(46) E. Singleton & H. E. Oosthuizen (1982). Adv. Organomet. Chem. 22, 209–310.

(47) P. M. Maitlis, P. Espinet & M. J. H. Russell (1982). Comprehensive organometallic chemistry, Vol. 6, pp. 279–349. London: Pergamon Press.

(48) Distances for M—C—O ≥ 173° only.

(49) D. J. Sikova, D. W. Macomber & M. D. Rausch (1985). Adv. Organomet. Chem. 25, 317–379.

(50) M. D. Johnson (1982). Comprehensive organometallic chemistry, Vol. 4, pp. 331–376. London: Pergamon Press.

(51) P. W. Jolly (1982). Comprehensive organometallic chemistry, Vol. 6, pp. 15–36. London: Pergamon Press.

(52) R. Colton & M. J. McCormick (1980). Coord. Chem. Rev. 31, 1–52.

(53) W. A. Herrmann (1982). Adv. Organomet. Chem. 20, 159–263.

(54) J. A. Labinger (1982). Comprehensive organometallic chemistry, Vol. 3, pp. 705–782. London: Pergamon Press.

(55) U. Schubert (1984). Coord. Chem. Rev. 55, 261–286.

(56) P. W. Jolly (1982). Comprehensive organometallic chemistry, Vol. 6, pp. 37–100. London: Pergamon Press.

(57) G. K. Anderson (1982). Adv. Organomet. Chem. 20, 39–114.

(58) D. M. P. Mingos (1982). Comprehensive organometallic chemistry, Vol. 3, pp. 1–88. London: Pergamon Press.

(59) S. J. Bryan, P. G. Huggett, K. Wade, J. A. Daniels & J. R. Jennings (1982). Coord. Chem. Rev. 44, 149–189.

(60) A. J. Deeming (1982). Comprehensive organometallic chemistry, Vol. 4, pp. 377–512. London: Pergamon Press.

(61) P. W. Jolly (1982). Comprehensive organometallic chemistry, Vol. 6, pp. 101–143. London: Pergamon Press.

(62) I. Omae (1983). Coord. Chem. Rev. 51, 1–39.

(63) Distribution is positively skewed.

(64) E. Sappa, A. Tiripicchio & P. Braunstein (1983). Chem. Rev. 83, 203–239.

(65) J. L. Templeton, P. B. Winston & B. C. Ward (1981). J. Am. Chem. Soc. 103, 7713–7721.

(66) P. W. Jolly (1982). Comprehensive organometallic chemistry, Vol. 6, pp. 145–182. London: Pergamon Press.

(67) P. W. Jolly (1982). Comprehensive organometallic chemistry, Vol. 6, pp. 183–187. London: Pergamon Press.

(68) H. Yasuda, K. Tatsumi & A. Nakamura (1985). Acc. Chem. Res. 18, 120–126.

(69) G. Erker, C. Krüger & G. Müller (1984). Adv. Organomet. Chem. 24, 1–39.

(70) P. W. Jolly (1982). Comprehensive organometallic chemistry, Vol. 6, pp. 189–228. London: Pergamon Press.

(71) D. J. Cardin, M. F. Lappert, C. L. Raston & P. I. Riley (1982). Comprehensive organometallic chemistry, Vol. 3, pp. 559–633. London: Pergamon Press.

(72) R. D. Ernst (1984). Struct. Bonding (Berlin), 57, 1–53; R. D. Ernst (1985). Acc. Chem. Res. 18, 56–62.

(73) P. Powell (1986). Adv. Organomet. Chem. 26, 125–164.

(74) E. L. Muetterties, J. R. Bleeke, E. J. Wucherer & T. A. Albright (1982). Chem. Rev. 82, 499–525.

(75) P. W. Jolly (1982). Comprehensive organometallic chemistry, Vol. 6, pp. 229–231. London: Pergamon Press.

(76) D. J. Gulliver & W. Levason (1982). Coord. Chem. Rev. 46, 1–127.

(77) E. I. Steifel (1987). Comprehensive coordination chemistry, Vol. 3, pp. 1375–1420. London: Pergamon Press.

(78) W. L. Gladfelter (1984). Adv. Organomet. Chem. 24, 41–86.

(79) W. A. Nugent & B. L. Haymore (1980). Coord. Chem. Rev. 31, 123–175.

(80) B. F. G. Johnson, B. L. Haymore & J. R. Dilworth (1987). Comprehensive coordination chemistry, Vol. 2, pp. 99–159. London: Pergamon Press.

(81) Distribution may be affected by unresolved trans-influence effects.

(82) Distances for ligands in the axial site in M₂(μ-O₂CR)₄ adducts only.

(83) F. H. Jardine (1987). Comprehensive coordination chemistry, Vol. 4, pp. 901–1096. London: Pergamon Press.

(84) K. Vrieze & G. Van Koten (1987). Comprehensive coordination chemistry, Vol. 2, pp. 189–244. London: Pergamon Press.

(85) Distances for ligand in the axial site in M₂(μ-O₂CR)₄ adducts excluded.

(86) Distribution is positively skewed.

(87) Unresolved metal oxidation state effects present in this distribution.

(88) P. Pelikán & R. Boĉa (1984). Coord. Chem. Rev. 55, 55–112.

(89) G. J. Leigh & R. L. Richards (1987). Comprehensive coordination chemistry, Vol. 3, pp. 1265–1299. London: Pergamon Press.

(90) K. A. Connor & R. A. Walton (1987) Comprehensive coordination chemistry, Vol. 4, pp. 125–213. London: Pergamon Press.

(91) Distribution is negatively skewed.

(92) Distribution may be distorted by unresolved bond-angle dependence within ligand.

(93) H. W. Roesky & K. K. Pandey (1983). Adv. Inorg. Chem. Radiochem. 26, 337–356.

(94) M. H. Chisholm & I. P. Rothwell (1987). Comprehensive coordination chemistry, Vol. 2, pp. 170–176. London: Pergamon Press.

(95) M. Calligaris & L. Randaccio (1987). Comprehensive coordination chemistry, Vol. 2, pp. 715–738. London: Pergamon Press.

(96) Distribution may be distorted by unresolved metal spin state effects.

(97) B. Chiswell, E. D. Mackenzie & L. F. Lindoy (1987). Comprehensive coordination chemistry, Vol. 4, pp. 1–122. London: Pergamon Press.

(98) T. Mashiko & D. Dolphin (1987). Comprehensive coordination chemistry, Vol. 2, pp. 813–898. London: Pergamon Press.

(99) S. M. Nelson (1987). Comprehensive coordination chemistry, Vol. 4, pp. 217–276. London: Pergamon Press.

(100) Distribution includes distances for ligands in axial site in M₂(O₂CR)₄ adducts.

(101) D. S. Moore & S. D. Robinson (1986). Adv. Inorg. Chem. Radiochem. 30, 1–68.

(102) R. W. Kemmit & D. R. Russell (1982). Comprehensive organometallic chemistry, Vol. 5, pp. 1–276. London: Pergamon Press.

(103) M. A. Hitchiman & G. L. Rowbottom (1982). Coord. Chem. Rev. 42, 55–132.

(104) B. J. Hathaway (1987). Comprehensive coordination chemistry, Vol. 2, pp. 413–434. London: Pergamon Press.

(105) D. A. House (1987). Comprehensive coordination chemistry, Vol. 2, pp. 23–72. London: Pergamon Press.

(106) F. Bottomley & L. Sutin (1988). Adv. Organomet. Chem. 28, 339–396.

(107) L. V. Boas & J. C. Pessoa (1987). Comprehensive coordination chemistry, Vol. 3, pp. 453–583. London: Pergamon Press.

(108) C. D. Garner & J. M. Charnock (1987). Comprehensive coordination chemistry, Vol. 3, pp. 1329–1374. London: Pergamon Press.

(109) Distribution may be affected by unresolved ligand substituent effects.

(110) W. P. Griffith (1987). Comprehensive coordination chemistry, Vol. 4, pp. 519–633. London: Pergamon Press.

(111) M. Melník (1982). Coord. Chem. Rev. 42, 259–293.

(112) T. Theophanides & P. D. Harvey (1987). Coord. Chem. Rev. 76, 237–264.

(113) G. B. Deacon & R. J. Phillips (1980). Coord. Chem. Rev. 33, 227–250.

(114) M. Melník (1981). Coord. Chem. Rev. 36, 1–44.

(115) E. B. Boyar & S. D. Robinson (1983). Coord. Chem. Rev. 50, 109–208.

(116) Distribution may be affected by unresolved metal coordination number effects.

(117) C. G. Pierpont & R. M. Buchanan (1981). Coord. Chem. Rev. 38, 45–87.

(118) Distances for mono-anionic ligand.

(119) Distances for neutral ligand.

(120) Distances for di-anionic ligand.

(121) D. A. Palmer & R. Van Eldik (1983). Chem. Rev. 83, 651–731.

(122) U. Casellato, P. A. Vigato & M. Vidali (1981). Coord. Chem. Rev. 36, 183–265.

(123) R. Boca (1983). Coord. Chem. Rev. 50, 1–72.

(124) M. H. Gubelmann & A. F. Williams (1983). Struct. Bonding (Berlin), 55, 1–65.

(125) H. A. O. Hill & D. G. Tew (1987). Comprehensive coordination chemistry, Vol. 2, pp. 315–333. London: Pergamon Press.

(126) C. A. McAuliffe & D. S. Barratt (1987). Comprehensive coordination chemistry, Vol. 3, pp. 323–361. London: Pergamon Press.

(127) J. A. Davies (1981). Adv. Inorg. Chem. Radiochem. 24, 115–187.

(128) N. M. N. Gowda, S. B. Naikar & G. K. N. Reddy (1984). Adv. Inorg. Chem. Radiochem. 28, 255–299.

(129) Distances for ligands trans to oxo only.

(130) B. Chiswell, E. D. Mackenzie & L. F. Lindoy (1987). Comprehensive coordination chemistry, Vol. 4, pp. 1–112. London: Pergamon Press.

(131) Distances for cluster complexes only.

(132) J. B. Farmer (1982). Adv. Inorg. Chem. Radiochem. 25, 187–237.

(133) R. C. Fay (1987). Comprehensive coordination chemistry, Vol. 3, pp. 363–451. London: Pergamon Press.

(134) A. J. Edwards (1987). Comprehensive coordination chemistry, Vol. 2, pp. 675–688. London: Pergamon Press.

(135) P. G. Harrison & T. Kikabbai (1987). Comprehensive coordination chemistry,Vol. 2, pp. 15–21. London: Pergamon Press; K. M. McKay & B. K. Nicholson (1982). Comprehensive organometallic chemistry, Vol. 6, pp. 1043–1114. London: Pergamon Press; B. J. Aylett (1982). Adv. Inorg. Chem. Radiochem. 25, 1–133.

(136) G. Huttner & K. Evertz (1986). Acc. Chem. Res. 19, 406–413.

(137) C. A. McAuliffe (1987). Comprehensive coordination chemistry, Vol. 2, pp. 986–1066. London: Pergamon Press.

(138) A. H. Cowley & N. C. Norman (1986). Prog. Inorg. Chem. 34, 1–63.

(139) Distances for structures in which the three P—C bond lengths vary by < 0.1 Å only.

(140) Distances excluded for ligands in the axial site of an octahedral complex containing a planar N₄ or N₂O₂ macrocyclic ligand (see 141).

(141) P. D. Smith, B. R. James & D. H. Dolphin (1981). Coord. Chem. Rev. 39, 31–75.

(142) D. M. Roundhill (1987). Comprehensive coordination chemistry, Vol. 5, pp. 351–531. London: Pergamon Press.

(143) As for (139) but variation < 0.07 Å only.

(144) R. J. Puddephatt (1987). Comprehensive coordination chemistry, Vol. 5, pp. 861–923. London: Pergamon Press.

(145) R. J. Lancashire (1987). Comprehensive coordination chemistry, Vol. 5, pp. 775–859. London: Pergamon Press.

(146) As for (139), but variation < 0.15 Å only.

(147) Distances for ligands trans to ≡CR excluded.

(148) J. F. Nixon (1985). Adv. Inorg. Chem. Radiochem. 29, 41–141.

(149) As for (139), but variation < 0.1 Å in both P—O and O—C lengths.

(150) A. Müller & E. Diemann (1987). Comprehensive coordination chemistry, Vol. 2, pp. 515–550. London: Pergamon Press.

(151) Distances excluded for cases where the M–L lengths within a bridge differ by > 0.1 Å.

(152) W. Levason & M. D. Spicer (1987). Coord. Chem. Rev. 76, 45–120.

(153) Distances for ligands trans to =NR excluded.

(154) G. Winter (1980). Rev. Inorg. Chem. 2, 253–342.

(155) R. Eisenberg (1970). Prog. Inorg. Chem. 12, 295–369.

(156) A. Müller, W. Jaegermann & J. H. Enemark (1982). Coord. Chem. Rev. 46, 245–280.

(157) A. Müller & E. Diemann (1987). Adv. Inorg. Chem. Radiochem. 31, 89–122.

(158) S. G. Murray & F. R. Hartley (1981). Chem. Rev. 81, 365–414.

(159) Z. Dori (1981). Prog. Inorg. Chem. 28, 239–307.

(160) R. R. Ryan, G. J. Kubas, D. C. Moody & P. G. Eller (1981). Struct. Bonding (Berlin), 46, 47–100.

(161) Distances for ligands trans to hydride excluded.

(162) Distances for ligands trans to ≡N excluded.

(163) F. J. Berry (1987). Comprehensive coordination chemistry, Vol. 2, pp. 661–674. London: Pergamon Press.

(164) H. J. Gysling (1982). Coord. Chem. Rev. 42, 133–244.

Appendix A9.6.2

A9.6.2. Short-form references to individual CSD entries cited in Table 9.6.3.3

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REFCODE	JOURNAL	Vol.	Page	Year
ABPENC	Inorg. Chem.	16	177	1977
ABTCMO	Inorg. Chem.	17	1981	1978
ABZAMN	Zh. Strukt. Khim.	19	1120	1978
ACACSC	Inorg. Chem.	12	927	1973
ACANRE	J. Organomet. Chem.	140	309	1977
ACAQGD	J. Chem. Soc. Dalton Trans.		454	1980
ACATEN	Finn. Chem. Lett.		246	1977
ACBZNM	Bull. Chem. Soc. Jpn	49	595	1976
ACCDSC10	Dokl. Akad. Nauk SSSR	250	852	1980
ACETCR	Inorg. Chem.	17	2004	1978
ACHPHG	J. Chem. Res.	360	4101	1979
ACMPRU	J. Chem. Soc. Dalton Trans.		2184	1976
ACMRHD	J. Chem. Soc. Dalton Trans.		409	1979
ACNOB20	J. Am. Chem. Soc.	105	4662	1983
ACNCVO	Acta Cryst. Sect. B	31	1833	1975
ACNTCC	J. Am. Chem. Soc.	100	5756	1978
ACOXRH	Latv. PSR Zinat. Akad. Vestis		48	1980
ACPCRB	Inorg. Chem.	19	328	1980
ACPMNA	J. Organomet. Chem.	204	79	1981
ACSNRU	J. Chem. Soc. Dalton Trans.		76	1978
ACTFIR	J. Chem. Soc. Dalton Trans.		2556	1975
ACTHTA	Inorg. Chem.	19	2354	1980
ACTPEN	J. Am. Chem. Soc.	96	4820	1974
ACTPRE	J. Organomet. Chem.	112	297	1976
ACURLB	Dokl. Akad. Nauk SSSR	248	1337	1979
ACYPCI	Inorg. Chem.	16	1593	1977
ADAGPC	Inorg. Chem.	16	2469	1977
ADASMO	Inorg. Chem.	19	777	1980
ADBPPD	Inorg. Chem.	18	176	1979
ADMEHH	Can. J. Chem.	59	1311	1981
ADOOSA	J. Am. Chem. Soc.	101	7265	1979
ADOOSB	J. Am. Chem. Soc.	101	7265	1979
AENCUS	Cryst. Struct. Commun.	7	565	1978
AFMZRH	J. Chem. Soc. Dalton Trans.		371	1979
AFNICD	Koord. Khim.	7	461	1981
AFXPCM	J. Chem. Soc. Dalton Trans.		1966	1977
AGENPC10	Acta Chem. Scand. Ser. A	32	555	1978
AGIMHN01	Acta Chem. Scand.	25	1758	1971
AGLPAU	Cryst. Struct. Commun.	9	679	1980
AGSURE10	Inorg. Chem.	7	1351	1968
ALANIC	J. Am. Chem. Soc.	94	1858	1972
ALBCIW	Cryst. Struct. Commun.	6	253	1977
ALCPPV	J. Organomet. Chem.	121	189	1976
ALETPD	J. Organomet. Chem.	65	427	1974
AMAQDY	Koord. Khim.	7	445	1981
AMETZN	Acta Cryst. Sect. B	34	2859	1978
AMMPMN	Acta Cryst. Sect. B	33	2648	1977
AMPMNC	Acta Cryst. Sect. B	33	2763	1977
AMXPPD	Acta Cryst. Sect. B	35	2411	1979
ANIDED10	Inorg. Chem.	15	1853	1976
APDPZC	Acta Cryst. Sect. B	30	1370	1974
APIMCO	Koord. Khim.	5	762	1979
APIMNI	Koord. Khim.	5	762	1979
APROCU	Finn. Chem. Lett.		71	1978
APRPIR	Cryst. Struct. Commun.	3	721	1974
APXLAP	J. Chem. Soc. Dalton Trans.		376	1980
AQACAL	Inorg. Chem.	7	2295	1968
AQNCZN	Koord. Khim.	5	1889	1979
AQOURI	Inorg. Chem.	19	1067	1980
AQOXCU	Acta Cryst. Sect. B	36	1650	1980
AQSUMN	Acta Cryst. Sect. B	37	1214	1981
ASCETU	Inorg. Chem.	12	2140	1973
ASMETE	Inorg. Chem.	20	1617	1981
ATCTPR	Z. Anorg. Allg. Chem.	456	163	1979
AUDETC	Cryst. Struct. Commun.	2	81	1973
AXEXAC	Inorg. Chem.	18	3015	1979
AZBCTI10	Gazz. Chim. Ital.	110	423	1980
AZBRHA10	J. Chem. Soc. Dalton Trans.		2138	1972
AZCPTI	Acta Cryst. Sect. B	33	578	1977
AZENPD10	J. Chem. Soc. Dalton Trans.		725	1976
AZMLMN	Chem. Ber.	114	276	1981
AZNPYD	Acta Cryst. Sect. B	30	628	1974
AZPPBW10	J. Chem. Soc. Dalton Trans.		1150	1980
AZTLAW	Gazz. Chim. Ital.	108	627	1978
BABFOZ	Acta Cryst. Sect. B	37	1656	1981
BABNAT	Zh. Strukt. Khim.	22	113-3	1981
BABTUT	Inorg. Chem.	20	1545	1981
BABWAC	Inorg. Chem.	20	2023	1981
BACREC10	Acta Cryst. Sect. B	38	1738	1982
BACVOQ10	Acta Cryst. Sect. B	38	2047	1982
BAGBUG	J. Organomet. Chem.	206	C33	1981
BAGWAH	J. Chem. Soc. Dalton Trans.		1798	1981
BAHHOH	J. Chem. Soc. Dalton Trans.		1879	1981
BAHPEF	Nouv. J. Chim.	5	423	1981
BAHVAH	J. Chem. Soc. Dalton Trans.		1997	1981
BAJZAN	J. Organomet. Chem.	220	125	1981
BAJZER	J. Organomet. Chem.	220	45	1981
BAKDOG	J. Am. Chem. Soc.	103	5747	1981
BAKDUM	J. Am. Chem. Soc.	103	5747	1981
BAKPUY	Proc. Natl Sci. Counc. B, ROC	5	139	1981
BALJIH	J. Am. Chem. Soc.	103	1927	1981
BALWUG	Chem. Ber.	114	2754	1981
BALZUJ	Acta Cryst. Sect. B	37	2062	1981
BAMCIB10	J. Am. Chem. Soc.	106	2328	1984
BAMCOH	Chem. Ber.	114	3220	1981
BAMDOI10	Nouv. J. Chim.	7	545	1983
BAMHUS	Inorg. Chem.	20	2872	1981
BAMTAK10	Inorg. Chem.	23	2303	1984
BAMVUG	Inorg. Chem.	20	2869	1981
BAMZUK	J. Chem. Soc. Chem. Commun.		1190	1981
BANDAV	Zh. Neorg. Khim.	26	718	1981
BANGIG10	Inorg. Chem.	21	3741	1982
BANVUH10	J. Am. Chem. Soc.	106	2041	1984
BAPHAB	Inorg. Chem.	20	2390	1981
BAPKEI	Inorg. Chem.	20	2372	1981
BAPPIR	Inorg. Chem.	20	2386	1981
BASLIQ10	Inorg. Chem.	23	2823	1984
BASMOX	J. Am. Chem. Soc.	103	4255	1981
BASSAP	Z. Anorg. Allg. Chem.	479	113	1981
BATLPT10	J. Chem. Soc. A		1873	1970
BATNIT	J. Chem. Soc. Dalton Trans.		2321	1981
BATPER	J. Chem. Soc. Dalton Trans.		2471	1981
BATZIF	Can. J. Chem.	59	2391	1981
BAVHEL	Cryst. Struct. Commun.	10	1523	1981
BAVJOX10	J. Am. Chem. Soc.	105	4671	1983
BAVKAK	Cryst. Struct. Commun.	10	1259	1981
BAVKIS	Inorg. Chem.	20	3819	1981
BAVLAL11	Z. Naturforsch. Teil B	37	1437	1982
BAVMUG	Acta Cryst. Sect. B	37	2223	1981
BAVSIA	Inorg. Chem.	20	3598	1981
BAWBUW01	Inorg. Chem.	20	3571	1981
BAWDIM10	Chem. Lett.		1501	1981
BAWKUF	Inorg. Chem.	20	3271	1981
BAWLAM	Inorg. Chem.	20	3271	1981
BAWLEQ	Inorg. Chem.	20	3271	1981
BAWRIA	Acta Cryst. Sect. B	38	105	1982
BAWTOI	J. Chem. Soc. Chem. Commun.		27	1982
BAWZUU	Cryst. Struct. Commun.	10	1227	1981
BAXFEL	J. Chem. Soc. Chem. Commun.		75	1982
BAXFOV	Z. Anorg. Allg. Chem.	482	113	1981
BAXHEN	Inorg. Chem.	20	3890	1981
BAXJOZ	Acta Cryst. Sect. B	38	96	1982
BAXLER	J. Organomet. Chem.	218	C39	1981
BAYCOS	J. Chem. Soc. Chem. Commun.		750	1979
BAYDIO	Acta Cryst. Sect. B	38	262	1982
BAYJAM	Sci. Sin.	24	1111	1981
BCATMO	Inorg. Chem.	18	1616	1979
BCAZWB	J. Chem. Soc. Chem. Commun.		879	1980
BCBXMO	J. Am. Chem. Soc.	100	1727	1978
BCETPN	J. Am. Chem. Soc.	99	8102	1977
BDMFRU	J. Organomet. Chem.	117	171	1976
BDODFE	J. Am. Chem. Soc.	97	5739	1975
BDTCBR	J. Am. Chem. Soc.	95	774	1973
BEAMRH	Inorg. Chem.	18	129	1979
BEBGEU	J. Chem. Soc. Dalton Trans.		207	1982
BEBHIZ	J. Chem. Soc. Dalton Trans.		25	1982
BEBHUL	J. Chem. Soc. Dalton Trans.		25	1982
BEBREF	Z. Naturforsch. Teil B	36	1580	1981
BEBTUX	J. Chem. Soc. Chem. Commun.		215	1982
BECTIM	J. Chem. Soc. Dalton Trans.		129	1982
BECVOU	J. Chem. Soc. Dalton Trans.		319	1982
BECXIQ	J. Organomet. Chem.	222	343	1981
BEDBUH	J. Am. Chem. Soc.	103	7398	1981
BEDDAP	J. Chem. Soc. Dalton Trans.		187	1982
BEDGAS	J. Organomet. Chem.	226	C1	1982
BEDZAL	Zh. Strukt. Khim.	22	120-5	1981
BEFBIX	Inorg. Chem.	21	237	1982
BEFJIF10	J. Am. Chem. Soc.	106	3727	1984
BEGBIY01	Inorg. Chem.	21	192	1982
BEGFEY	Inorg. Chem.	21	431	1982
BEGKAZ	Inorg. Chem.	20	4361	1981
BEGNAC	Acta Cryst. Sect. B	38	942	1982
BEGNUW	J. Chem. Soc. Dalton Trans.		493	1982
BEGPUY	J. Chem. Soc. Dalton Trans.		607	1982
BEGYAN	J. Chem. Soc. Chem. Commun.		287	1982
BEHGAW	J. Organomet. Chem.	221	183	1981
BEHHIF	Inorg. Chem.	21	223	1982
BEHLOP	Chem. Ber.	115	738	1982
BEHMOQ	J. Chem. Soc. Dalton Trans.		407	1982
BEHYUI	Acta Cryst. Sect. B	38	1318	1982
BEJBEX	J. Am. Chem. Soc.	104	922	1982
BEJGAY	Inorg. Chem.	21	218	1982
BEJGIG	Inorg. Chem.	20	4293	1981
BEJHUT	Inorg. Chim. Acta	57	29	1982
BEJJAB	Inorg. Chim. Acta	57	29	1982
BEJNIN	Acta Cryst. Sect. B	38	1165	1982
BEJTIT	Acta Cryst. Sect. B	38	1288	1982
BEKPUC	Aust. J. Chem.	34	2061	1981
BELFUT	Z. Naturforsch. Teil B	37	13	1982
BELGOO10	Khim. Fiz.		1459	1983
BELJEH	J. Chem. Soc. Dalton Trans.		713	1982
BELLEJ	Zh. Strukt. Khim.	22	124-6	1981
BELTIV10	Inorg. Chem.	21	4166	1982
BELTUH	Organometallics	1	302	1982
BEMLAG10	Chem. Ber.	115	3830	1982
BEMLUA	Chem. Ber.	115	1004	1982
BEMNIQ	Z. Naturforsch. Teil B	37	341	1982
BEMPOY10	Koord. Khim.	7	1880	1981
BENDAZ	J. Am. Chem. Soc.	104	994	1982
BENDED	Inorg. Chem.	21	1014	1982
BENFEF	J. Chem. Soc. Chem. Commun.		493	1982
BENIIB	J. Organomet. Chem.	169	219	1979
BENLOV	Inorg. Chem.	21	987	1982
BENNOX	J. Organomet. Chem.	221	375	1981
BENRAN	J. Organomet. Chem.	228	153	1982
BEPDEF	Inorg. Chem.	21	1208	1982
BEPJIP	Koord. Khim.	8	111	1982
BEPZEB	Cryst. Struct. Commun.	11	175	1982
BEPZIF	Cryst. Struct. Commun.	11	169	1982
BERTAT	Cryst. Struct. Commun.	11	305	1982
BESBEG	Z. Anorg. Allg. Chem.	485	81	1982
BESBIK10	Z. Naturforsch. Teil B	38	747	1983
BESBOQ10	Z. Naturforsch. Teil B	38	747	1983
BESFOU	J. Am. Chem. Soc.	104	1272	1982
BESHAI	J. Am. Chem. Soc.	104	1756	1982
BESJOY	Inorg. Chem.	21	917	1982
BESPIY	J. Am. Chem. Soc.	104	1710	1982
BESSAT	J. Am. Chem. Soc.	104	1290	1982
BESSEX	J. Am. Chem. Soc.	104	1426	1982
BESXRU	Inorg. Chem.	15	2270	1976
BETCUY10	J. Am. Chem. Soc.	105	4662	1983
BEVMAQ	Acta Cryst. Sect. B	38	1603	1982
BEVYIK	Chem. Ber.	115	2271	1982
BEWMAR	J. Chem. Soc. Dalton Trans.		1013	1982
BEWVEE	Can. J. Chem.	59	3123	1981
BEXJUJ	J. Chem. Soc. Dalton Trans.		899	1982
BEXLEV	Polyhedron	1	89	1982
BEXTON	Bull. Soc. Chim. Belg.	91	171	1982
BEYFEQ	J. Organomet. Chem.	232	229	1982
BEYGAN	J. Organomet. Chem.	232	41	1982
BHZEPT	J. Chem. Soc. Dalton Trans.		2386	1976
BIBFUN	J. Am. Chem. Soc.	104	2147	1982
BIBJAX	Polyhedron	1	37	1982
BIBJEB	Polyhedron	1	37	1982
BIBSAG	Cryst. Struct. Commun.	11	733	1982
BICPDB	J. Chem. Soc. Dalton Trans.		2263	1975
BIDCAS	J. Am. Chem. Soc.	104	2329	1982
BIDNEH	Koord. Khim.	8	402	1982
BIFYUK	Acta Cryst. Sect. B	38	2155	1982
BIFZEV	Acta Cryst. Sect. B	38	2155	1982
BIGFAY01	J. Am. Chem. Soc.	104	2165	1982
BIGHAA	Chem. Ber.	115	2035	1982
BIGLAE	J. Chem. Soc. Dalton Trans.		1465	1982
BIGLUY	J. Chem. Soc. Dalton Trans.		1401	1982
BIPOW	Inorg. Chem.	21	2444	1982
BIGVAO	Inorg. Chim. Acta	52	169	1981
BIHCUQ	Inorg. Chem.	21	2350	1982
BIHFAZ	Inorg. Chem.	21	2257	1982
BIHGOO	J. Chem. Soc. Chem. Commun.		932	1982
BIHJOR10	Koord. Khim.	10	844	1984
BIHLOT01	Inorg. Chem.	21	3284	1982
BIHSAM	Inorg. Chem.	21	2624	1982
BIHWUK	J. Chem. Soc. Chem. Commun.		805	1982
BIHYEW	Am. Cryst. Assoc. Ser. 2	10	16	1982
BIJJAF	J. Chem. Soc. Chem. Commun.		1006	1982
BIJJUZ10	J. Am. Chem. Soc.	105	7295	1983
BIJKOU	J. Am. Chem. Soc.	104	3722	1982
BIJPAL	Inorg. Chem.	21	3090	1982
BIJWEW	Inorg. Chem.	21	3173	1982
BIKTIY	Inorg. Chem.	21	2647	1982
BILDIJ	Organometallics	1	38	1982
BILMUE	Inorg. Chem.	21	2578	1982
BILRET	J. Chem. Soc. Chem. Commun.		1025	1982
BILSIY	Inorg. Chem.	21	2867	1982
BILWIC	J. Am. Chem. Soc.	103	7358	1981
BIMAOU10	Acta Cryst. Sect. B	30	2659	1974
BIMMOZ	Bull. Chem. Soc. Jpn	55	2083	1982
BIMTCU	Inorg. Chem.	18	141	1979
BIMTEW	J. Organomet. Chem.	235	105	1982
BINFUZ	J. Am. Chem. Soc.	104	4278	1982
BINHUB	Inorg. Chem.	21	3186	1982
BINJEN	Inorg. Chem.	21	2889	1982
BINRAR	Acta Cryst. Sect. B	38	2468	1982
BIPFUB10	Acta Cryst. Sect. C	39	42	1983
BIPHHG	Cryst. Struct. Commun.	10	613	1981
BIPTAV	Inorg. Chim. Acta	52	205	1981
BIPYHG	Cryst. Struct. Commun.	7	165	1978
BIRJUH	Kristallografiya	27	489	1982
BIRLIX	Chem. Ber.	115	3049	1982
BIRXIJ	Cryst. Struct. Commun.	11	847	1982
BIRYOO10	Z. Anorg. Allg. Chem.	498	85	1983
BISCEL	Inorg. Chim. Acta	59	225	1982
BISHUG	Cryst. Struct. Commun.	11	1163	1982
BISIPT	J. Chem. Soc. Dalton Trans.		1294	1979
BISJOC	Cryst. Struct. Commun.	11	1049	1982
BISKOD	Acta Cryst. Sect. B	38	2674	1982
BISNEW	Chem. Ber.	115	3224	1982
BISPAU	Acta Chem. Scand. Ser. A	35	739	1981
BISZIM	Cryst. Struct. Commun.	11	861	1982
BITKIY	Chem. Ber.	115	3152	1982
BITRAX	J. Chem. Soc. Chem. Commun.		1081	1982
BITSAY	Z. Kristallogr.	159	173	1982
BITYIM	Z. Naturforsch. Teil B	37	944	1982
BIVGAO	J. Chem. Soc. Chem. Commun.		1039	1982
BIVWIM	Acta Chem. Scand. Ser. A	36	767	1982
BIWBEO	J. Organomet. Chem.	229	169	1982
BIWLAU	Inorg. Chim. Acta	60	141	1982
BIWVEI	Inorg. Chim. Acta	61	195	1982
BIXBUF10	J. Organomet. Chem.	269	91	1984
BIYCUH	Angew. Chem. Int. Ed. Engl.	21	705	1982
BIYHOG	Inorg. Chem.	21	3270	1982
BIYJIC	J. Am. Chem. Soc.	104	3773	1982
BIYPAA	Acta Cryst. Sect. B	38	2886	1982
BIYVIO	J. Organomet. Chem.	220	251	1981
BIYWUB	Inorg. Chim. Acta	61	255	1982
BIYXAI	Inorg. Chem.	21	3295	1982
BIYYOX	J. Chem. Soc. Dalton Trans.		1809	1982
BIYYUD	J. Chem. Soc. Dalton Trans.		1809	1982
BIZJEZ	J. Organomet. Chem.	238	223	1982
BIZZAL	J. Chem. Soc. Dalton Trans.		2065	1982
BMCPTI	Inorg. Chem.	16	1645	1977
BMTCFE	J. Chem. Soc. Chem. Commun.		506	1978
BNTLFE	Acta Cryst. Sect. B	36	1950	1980
BNZCTC	J. Organomet. Chem.	73	103	1974
BOBSUG	J. Am. Chem. Soc.	104	5250	1982
BOBTOB	Organometallics	1	1013	1982
BOBWAQ	Organometallics	1	998	1982
BOBXOF	J. Am. Chem. Soc.	104	4879	1982
BOBXUL	J. Am. Chem. Soc.	104	4879	1982
BOBYAS	J. Am. Chem. Soc.	104	4865	1982
BOBZUN	J. Chem. Soc. Chem. Commun.		1421	1982
BOCCOC	Inorg. Chem.	17	1995	1978
BOCLOU	Acta Cryst. Sect. B	38	3081	1982
BOCWAR	Organometallics	1	1085	1982
BOCWEV	Organometallics	1	1066	1982
BODGUW10	J. Am. Chem. Soc.	106	5926	1984
BODYEY	J. Am. Chem. Soc.	104	5515	1982
BODZEZ	Bull. Chem. Soc. Jpn	55	2840	1982
BOFCEE	J. Chem. Soc. Dalton Trans.		1795	1982
BOFJIP	J. Chem. Soc. Dalton Trans.		2343	1982
BOFMOY	Z. Naturforsch. Teil B	37	1289	1982
BOGFOS	J. Chem. Soc. Chem. Commun.		5	1983
BOGPIW	Z. Naturforsch. Teil B	37	1234	1982
BOHBIJ	Inorg. Chem.	21	3811	1982
BOHDUX	Inorg. Chem.	21	3666	1982
BOHGAG	Acta Cryst. Sect. C	39	49	1983
BOHPUJ	J. Chem. Soc. Dalton Trans.		1	1983
BOHYEC	Ko Hsueh Tung Pao	27	728	1982
BOJJUF	J. Chem. Soc. Dalton Trans.		2203	1982
BOJSUO	Z. Anorg. Allg. Chem.	491	73	1982
BOKPEW	J. Chem. Soc. Chem. Commun.		69	1983
BOKXEE	Chem. Ber.	115	3830	1982
BOLCIO10	J. Am. Chem. Soc.	106	3214	1984
BOLJAN	Inorg. Chem.	21	4096	1982
BOLRID	Acta Cryst. Sect. C	39	188	1983
BOMMEV	Cryst. Struct. Commun.	11	1655	1982
BONCIQ01	Organometallics	2	350	1983
BONSUS	Z. Naturforsch. Teil B	38	67	1983
BOPFOB	Chem. Ber.	116	46	1983
BOPPAX10	J. Am. Chem. Soc.	105	4826	1983
BOPPIF10	Acta Cryst. Sect. C	40	1322	1984
BOPSII	J. Am. Chem. Soc.	104	6360	1982
BOPTEF	Acta Cryst. Sect. C	39	181	1983
BOPWAE	Inorg. Chem.	21	4301	1982
BOPWEI	Inorg. Chem.	21	3903	1982
BORVIN	Inorg. Chem.	21	4050	1982
BOSKUP	J. Am. Chem. Soc.	104	6961	1982
BOSNEC	Inorg. Chem.	21	3923	1982
BOSRUW	J. Am. Chem. Soc.	104	6161	1982
BOTFOF	Koord. Khim.	8	1700	1982
BOTGAS	J. Am. Chem. Soc.	104	7378	1982
BOTPCU	J. Chem. Soc. Dalton Trans.		37	1977
BOTTAF	J. Am. Chem. Soc.	104	7325	1982
BOTVIP10	Inorg. Chim. Acta	87	129	1984
BOTWUC	Zh. Strukt. Khim.	23	135-3	1982
BOVCAQ	J. Chem. Soc. Chem. Commun.		206	1983
BOVGAU	Koord. Khim.	8	1527	1982
BOVLED	J. Chem. Soc. Chem. Commun.		267	1983
BOVLUT	J. Chem. Soc. Chem. Commun.		222	1983
BOVYUG	Inorg. Chem.	22	759	1983
BOWCAR10	J. Chem. Soc. Dalton Trans.		1557	1983
BOWLII	Polyhedron	1	840	1982
BOWLUU	Polyhedron	1	561	1982
BOWYOB	J. Chem. Soc. Dalton Trans.		205	1983
BOXHUR	Polyhedron	1	617	1982
BOXNEH	Inorg. Chem.	22	45	1983
BOYLUW	J. Struct. Chem.	1	73-1	1982
BOYTOY	Organometallics	1	1074	1982
BOYZOE	J. Chem. Soc. Chem. Commun.		356	1983
BOZBOH	J. Chem. Soc. Dalton Trans.		253	1983
BOZDID	Koord. Khim.	8	1561	1982
BOZMIM	J. Am. Chem. Soc.	105	416	1983
BOZNEJ	Inorg. Chem.	22	171	1983
BOZRAJ	Inorg. Chem.	22	395	1983
BOZYIY	Inorg. Chem.	22	884	1983
BPBRNI10	Cryst. Struct. Commun.	11	1713	1982
BPEPFE	Inorg. Chem.	17	810	1978
BPESNI	Inorg. Chem.	14	1773	1975
BPHPRH10	Acta Cryst. Sect. B	30	738	1974
BPNICU	Acta Cryst. Sect. B	33	1669	1977
BPYAGN	Cryst. Struct. Commun.	2	279	1973
BPYCPT	J. Chem. Soc. Dalton Trans.		1002	1974
BPYMNA	Inorg. Chim. Acta	53	L197	1981
BQAPPD	J. Chem. Soc. Dalton Trans.		1490	1978
BRFOSA10	J. Organomet. Chem.	249	149	1983
BRNOCR	Inorg. Chem.	19	3626	1980
BRNPIR	Inorg. Chem.	19	1803	1980
BSEMEP	J. Chem. Soc. Chem. Commun.		713	1979
BTCMAN	J. Cryst. Mol. Struct.	1	155	1971
BTCPTI	Z. Anorg. Allg. Chem.	390	195	1972
BTPCRE10	J. Chem. Soc. Dalton Trans.		1189	1978
BTPPFE	Aust. J. Chem.	30	2655	1977
BTZDNI	J. Chem. Soc. Dalton Trans.		2382	1976
BUBBAB	Inorg. Chem.	22	371	1983
BUBKUE	J. Chem. Soc. Chem. Commun.		420	1983
BUCBEG	Inorg. Chem.	22	628	1983
BUCBUW	J. Am. Chem. Soc.	105	976	1983
BUCLUG	Inorg. Chem.	22	868	1983
BUCTOI	Inorg. Chem.	22	560	1983
BUCZOO	Chem. Ber.	116	951	1983
BUDBEH	Z. Naturforsch. Teil B	38	417	1983
BUDTEZ	Z. Naturforsch. Teil B	38	454	1983
BUDZEF	J. Organomet. Chem.	247	39	1983
BUFFUD	Acta Cryst. Sect. C	39	573	1983
BUFLET	Chem. Ber.	116	1070	1983
BUFNOF	J. Am. Chem. Soc.	105	1401	1983
BUFPUN01	Inorg. Chem.	22	4091	1983
BUGFUE	J. Chem. Soc. Dalton Trans.		799	1983
BUGGAL	J. Chem. Soc. Dalton Trans.		799	1983
BUGRIE	J. Chem. Soc. Chem. Commun.		634	1983
BUHIPI	Gazz. Chim. Ital.	105	529	1975
BUHTON	Bull. Chem. Soc. Jpn	56	657	1983
BUHVOP	Acta Cryst. Sect. C	39	540	1983
BUIMWA	J. Am. Chem. Soc.	103	357	1981
BUIMWB	J. Am. Chem. Soc.	103	357	1981
BUJBIR	Angew. Chem. Int. Ed. Engl.	22	314	1983
BUJFIV	J. Chem. Soc. Chem. Commun.		673	1983
BUJFUH	J. Chem. Soc. Chem. Commun.		648	1983
BUJNOJ	Phosphorus Sulfur	14	161	1983
BUJXAF	J. Chem. Soc. Dalton Trans.		809	1983
BIJYIO	Organometallics	1	1709	1982
BUKGET	Organometallics	1	1567	1982
BUKMID	Polyhedron	1	441	1982
BULLFE	Chem. Ber.	105	3936	1972
BULPED	J. Chem. Soc. Dalton Trans.		1131	1983
BULTEH	J. Chem. Soc. Dalton Trans.		911	1983
BULYOW	Inorg. Chim. Acta	71	141	1983
BULZIR	Inorg. Chim. Acta	70	29	1983
BUMCER	Aust. J. Chem.	35	2413	1982
BUMEMO	J. Am. Chem. Soc.	102	1759	1980
BUNKAW	Organometallics	1	1538	1982
BUNKEA	J. Am. Chem. Soc.	105	2927	1983
BUNKIE	J. Am. Chem. Soc.	105	2927	1983
BUNMEC	J. Chem. Soc. Dalton Trans.		1479	1983
BUNZOZ	Inorg. Chem.	22	1221	1983
BUPCEU	Inorg. Chem.	22	1168	1983
BUPCIY	Inorg. Chem.	22	1168	1983
BUPCRH	Chem. Ber.	110	1020	1977
BUPJAX	J. Am. Chem. Soc.	105	2085	1983
BUPLAZ10	Organometallics	3	599	1984
BUPMOO	Acta Cryst. Sect. C	39	838	1983
BUPPUX	Acta Cryst. Sect. C	39	858	1983
BUPSUA	Inorg. Chim. Acta	69	29	1983
BUPTEL	J. Organomet. Chem.	250	517	1983
BUPVUD	J. Organomet. Chem.	249	273	1983
BUPWOY10	J. Chem. Soc. Dalton Trans.		1555	1984
BUPYOA	J. Organomet. Chem.	248	171	1983
BUPYUG	J. Organomet. Chem.	248	171	1983
BUPZIV	Z. Anorg. Allg. Chem.	495	127	1982
BURFOJ	J. Organomet. Chem.	249	127	1983
BURPEJ	Inorg. Chim. Acta	69	77	1983
BUSHEC	Z. Naturforsch. Teil B	38	733	1983
BUSLEG	J. Organomet. Chem.	250	183	1983
BUSRIQ	J. Chem. Soc. Dalton Trans.		1305	1983
BUSYIX	J. Chem. Soc. Dalton Trans.		1003	1983
BUTKUW	Inorg. Chem.	22	1409	1983
BUTTOZ	Organometallics	2	515	1983
BUVCAW10	Z. Anorg. Allg. Chem.	514	25	1984
BUVGII	Inorg. Chem.	22	1865	1983
BUVLEJ	Organometallics	2	506	1983
BUVNIP	J. Cryst. Spectrosc.	13	303	1983
BUVNUB	J. Am. Chem. Soc.	105	2680	1983
BUVROZ	J. Chem. Soc. Chem. Commun.		951	1983
BUVSOA	Organometallics	1	1204	1982
BUWBAW	Zh. Strukt. Khim.	24	66-2	1983
BUWJUY	J. Organomet. Chem.	250	537	1983
BUWMAH	Organometallics	2	44	1983
BUWWOF01	J. Chem. Soc. Dalton Trans.		2333	1983
BUWYIB	Bull. Chem. Soc. Jpn	56	1982	1983
BUXGAC	Inorg. Chem.	22	1603	1983
BUXLEL	J. Am. Chem. Soc.	105	3353	1983
BUXMIQ	Inorg. Chem.	22	1306	1983
BUXTAP	Inorg. Chem.	22	1825	1983
BUYBUS	Polyhedron	2	185	1983
BUYKIP	J. Am. Chem. Soc.	105	4487	1983
BUYMAJ	J. Am. Chem. Soc.	105	4104	1983
BUYNEO	J. Am. Chem. Soc.	105	4092	1983
BUZMUE	J. Organomet. Chem.	251	413	1983
BUZPIV	Chem. Ber.	116	2994	1983
BUZRAP	Chem. Ber.	116	2765	1983
BUZYAW	J. Organomet. Chem.	252	71	1983
BUZZAX	J. Organomet. Chem.	252	231	1983
BVINBF	Isr. J. Chem.	10	201	1972
BXCAPD	J. Am. Chem. Soc.	102	1047	1980
BXZPCO	Inorg. Chem.	16	1665	1977
BZBCUA	Zh. Strukt. Khim.	20	89	1979
BZCPRU	Cryst. Struct. Commun.	7	583	1978
BZDTNB10	Inorg. Chem.	15	1589	1976
BZDTZR10	Inorg. Chem.	15	1595	1976
BZHREC	Chem. Ber.	111	3740	1978
BZHXDB	Inorg. Chem.	20	890	1981
BZTCDN	J. Am. Chem. Soc.	95	8566	1973
BZTCOV	Acta Cryst. Sect. B	36	304	1980
CABHIW	J Struct. Chem.	2	29	1983
CABYIN	J. Chem. Soc. Dalton Trans.		1571	1983
CABYUZ	J. Chem. Soc. Dalton Trans.		2025	1983
CABZAG	J. Chem. Soc. Dalton Trans.		2025	1983
CACFUH	J. Chem. Soc. Chem. Commun.		963	1981
CACLUN	J. Chem. Soc. Dalton Trans.		2091	1983
CACMIC	J. Chem. Soc. Dalton Trans.		2011	1983
CACPIF	J. Chem. Soc. Dalton Trans.		1679	1983
CACRIH	Polyhedron	2	843	1983
CACWOS	Organometallics	2	535	1983
CADHOE	Acta Cryst. Sect. C	39	997	1983
CADMAV	Z. Anorg. Allg. Chem.	502	35	1983
CADPEC	Can. J. Chem.	61	1146	1983
CADYAH	Angew. Chem. Int. Ed. Engl.	22	503	1983
CAFCUH	Organometallics	2	935	1983
CAFFEU	Organometallics	2	938	1983
CAFFIY	Organometallics	2	938	1983
CAFJUO	Acta Cryst. Sect. C	39	1197	1983
CAFLAW	J. Organomet. Chem.	253	53	1983
CAFLEA	J. Organomet. Chem.	253	53	1983
CAFNOM	Acta Cryst. Sect. C	39	1041	1983
CAFSOR	Acta Cryst. Sect. C	39	1210	1983
CAFZUE	J. Organomet. Chem.	248	C26	1983
CAGKEA	Organometallics	2	558	1983
CAGSAE	Acta Cryst. Sect. C	39	1367	1983
CAGSIM	J. Chem. Soc. Dalton Trans.		1873	1983
CAHGOH	Inorg. Chem.	22	1897	1983
CAHGUN	Inorg. Chem.	22	1794	1983
CAHHAU	Inorg. Chem.	22	1791	1983
CAHJIE	Inorg. Chem.	22	1744	1983
CAHRUY	J. Chem. Soc. Dalton Trans.		2117	1983
CAHZAM	J. Am. Chem. Soc.	105	5834	1983
CAHZUG	J. Am. Chem. Soc.	105	5804	1983
CAIMCO	J. Chem. Soc. A		2558	1970
CAJCEV	Transition Met. Chem.	8	127	1983
CAJFAU	Inorg. Chem.	22	1887	1983
CAJGEZ	J. Am. Chem. Soc.	105	5137	1983
CAJHOK	J. Chem. Soc. Chem. Commun.		1163	1983
CAKCIA	Inorg. Chem.	22	1739	1983
CAKGAW	J. Chem. Soc. Dalton Trans.		1789	1983
CAKGIE	Inorg. Chem.	22	1695	1983
CAKNEH01	Inorg. Chem.	23	122	1984
CAKNIL10	Inorg. Chim. Acta	75	199	1983
CAKSOW	Organometallics	2	1049	1983
CAKTUD	J. Am. Chem. Soc.	105	4955	1983
CALCEX	J. Am. Chem. Soc.	103	6507	1981
CALGAX	Inorg. Chem.	20	3904	1981
CALHIG	J. Chem. Soc. Chem. Commun.		1177	1983
CALNUY	J. Chem. Soc. Chem. Commun.		1283	1983
CAMCUO	Inorg. Chim. Acta	75	103	1983
CAMKIK	Organometallics	2	1172	1983
CAMLAD	Organometallics	2	1167	1983
CAMROX	Inorg. Chem.	22	2356	1983
CAMSOB	Rev. Chim. Minér.	16	555	1979
CAMTEP	J. Am. Chem. Soc.	105	5939	1983
CAMVER	J. Am. Chem. Soc.	105	5954	1983
CAMWOC	Angew. Chem. Int. Ed. Engl.	22	498	1983
CAMXOD	Nouv. J. Chim.	7	467	1983
CANBRU	J. Organomet. Chem.	72	247	1974
CANFAY	Inorg. Chem.	22	2351	1983
CANHAA	J. Organomet. Chem.	255	231	1984
CANZUM	J. Chem. Soc. Chem. Commun.		1377	1983
CAPFOO	J. Am. Chem. Soc.	105	6163	1983
CAPSOB	Inorg. Chim. Acta	75	173	1983
CARJOU	Organometallics	2	1369	1983
CARKIP	Organometallics	2	1437	1983
CARWAT	J. Chem. Soc. Chem. Commun.		1358	1983
CASDIJ	Z. Naturforsch. Teil B	38	1454	1983
CASPIV	Z. Anorg. Allg. Chem.	504	7	1983
CASVIB	J. Organomet. Chem.	256	349	1983
CASYEA	J. Chem. Soc. Chem. Commun.		1366	1983
CATETH	J. Am. Chem. Soc.	100	7882	1978
CATGEJ	J. Organomet. Chem.	256	111	1983
CATKOX	J. Chem. Soc. Chem. Commun.		1351	1983
CATKUD	J. Chem. Soc. Chem. Commun.		1351	1983
CATMIT	Inorg. Chem.	22	2736	1983
CATSEV	Z. Naturforsch. Teil B	38	1406	1983
CATSUL	Z. Naturforsch. Teil B	38	1488	1983
CAVMOB	J. Chem. Soc. Chem. Commun.		1490	1983
CAVREW	J. Am. Chem. Soc.	105	6162	1983
CAVVEA	J. Chem. Soc. Dalton Trans.		2375	1983
CAVYON	Koord. Khim.	9	986	1983
CAWBAD	Koord. Khim.	9	1114	1983
CAWGAI	Inorg. Chem.	22	2903	1983
CAWJAL	Inorg. Chem.	22	2892	1983
CAWLIV	Angew. Chem. Int. Ed. Engl.	22	774	1983
CAWSUO	Inorg. Chem.	22	3361	1983
CAWTAV	Inorg. Chem.	22	3355	1983
CAXMIX	Acta Cryst. Sect. C	39	1643	1983
CAXPUM	Acta Cryst. Sect. C	39	1620	1983
CAXYOP	Inorg. Chim. Acta	80	57	1983
CAYFAJ	J. Am. Chem. Soc.	105	7460	1983
CAYGAK	J. Organomet. Chem.	258	357	1983
CAYGOY	J. Am. Chem. Soc.	105	7280	1983
CAYJAN	Can. J. Chem.	61	2141	1983
CAYLAP	Angew. Chem. Int. Ed. Engl.	22	790	1983
CAYMAQ	Angew. Chem. Int. Ed. Engl.	22	414	1983
CAYXAB	Inorg. Chim. Acta	73	261	1983
CAZCIP	J. Sci. Hiroshima Univ. A	47	1	1983
CAZGUF	Jilin Daxue Ziran Kex. Xue		103-2	1983
CAZHAM	Jilin Daxue Ziran Kex. Xue		103-2	1983
CAZJAO10	Z. Naturforsch. Teil B	39	880	1984
CAZJES10	Z. Naturforsch. Teil B	39	880	1984
CAZZAE	Inorg. Chem.	22	3090	1983
CBACRC	J. Chem. Soc. Dalton Trans.		52	1980
CBFPPT10	Inorg. Chem.	12	1663	1973
CBUTIR	Cryst. Struct. Commun.	2	527	1973
CBZTET10	Polyhedron	2	1031	1983
CBZYTA	J. Am. Chem. Soc.	100	3793	1978
CCHXPC	Inorg. Chem.	18	166	1979
CCPZRA	Inorg. Chem.	19	3812	1980
CDACET	J. Chem. Soc. Dalton Trans.		956	1972
CDCYAC	J. Chem. Soc. Dalton Trans.		285	1974
CDMALD	J. Chem. Soc. Dalton Trans.		674	1974
CDMSOR	J. Chem. Soc. Dalton Trans.		2480	1975
CEBDIW	Acta Chem. Scand. Ser. A	37	697	1983
CEBREG	Finn. Chem. Lett.		120	1983
CECATI	Inorg. Chem.	18	1611	1979
CECCIW	Angew. Chem. Int. Ed. Engl.	22	996	1983
CECGOG	Angew. Chem. Int. Ed. Engl.	22	1000	1983
CECGUM	Angew. Chem. Int. Ed. Engl.	22	984	1983
CECKOK	Organometallics	2	1458	1983
CECLEB10	Koord. Khim.	10	123	1984
CECLIF10	Koord. Khim.	10	1128	1984
CECROR	Organometallics	2	1505	1983
CECWEM	Z. Kristallogr.	164	237	1983
CEDHUO	J. Chem. Soc. Commun.		175	1984
CEDMON	Organometallics	2	1595	1983
CEDNOO	Polyhedron	2	1031	1983
CEDXEO	Inorg. Chem.	22	3424	1983
CEFCUL	Inorg. Chem.	22	3480	1983
CEFHEA	Organometallics	2	1763	1983
CEFHOK	Kristallografiya	28	886	1983
CEFMAB	Polyhedron	2	1317	1983
CEFMIJ	Polyhedron	2	1201	1983
CEFNOQ	S. Afr. J. Chem.	36	97	1983
CEFPEI	Organometallics	2	1889	1983
CEFSIP	Angew. Chem. Int. Ed. Engl.	23	68	1984
CEFVIS	J. Chem. Soc. Chem. Commun.		282	1984
CEFVOY	J. Am. Chem. Soc.	106	329	1984
CEFVUE	J. Am. Chem. Soc.	105	7789	1983
CEFYAN	Inorg. Chem.	22	3671	1983
CEGCIA	J. Chem. Soc. Dalton Trans.		55	1984
CEGCOG	J. Chem. Soc. Dalton Trans.		55	1984
CEGGUQ	Inorg. Chem.	22	3654	1983
CEGHAX	J. Am. Chem. Soc.	105	7750	1983
CEGHEB	J. Am. Chem. Soc.	105	7750	1983
CEGNAD	Z. Kristallogr.	164	259	1983
CEHFEA	J. Chem. Soc. Chem. Commun.		240	1984
CEHMOR	J. Am. Chem. Soc.	106	410	1984
CEHTUE	J. Am. Chem. Soc.	105	6763	1983
CEHXAO	Inorg. Chem.	22	3489	1983
CEJDEA	J. Am. Chem. Soc.	106	451	1984
CEJPEM	Acta Cryst. Sect. C	40	82	1984
CEKGEE	Organometallics	3	293	1984
CEKGII	Organometallics	3	293	1984
CEKGOO	Acta Cryst. Sect. C	40	409	1984
CELJEI	Acta Cryst. Sect. C	40	354	1984
CELLAG	Acta Cryst. Sect. C	40	359	1984
CEMCUS	Inorg. Chim. Acta	72	141	1983
CEMMIQ	Inorg. Chem.	22	3706	1983
CEMSES	Inorg. Chem.	22	4091	1983
CEMSIW	Inorg. Chem.	22	4091	1983
CEMSUI	Inorg. Chem.	23	88	1984
CEMTIX	Inorg. Chem.	23	99	1984
CEMWEW	Inorg. Chem.	22	3911	1983
CEMXIB	J. Am. Chem. Soc.	105	7751	1983
CENFAC01	J. Chem. Soc. Dalton Trans.		1917	1983
CENRES	Inorg. Chem.	22	3776	1983
CENSUJ	J. Chem. Soc. Dalton Trans.		229	1984
CENTAQ	J. Chem. Soc. Dalton Trans.		229	1984
CEPBII	J. Chem. Soc. Chem. Commun.		434	1984
CEPFPP	J. Chem. Soc. Dalton Trans.		2043	1977
CEPGUZ	J. Inorg. Biochem.	19	237	1983
CEPHOU	Inorg. Chem.	23	227	1984
CEPHUA	Inorg. Chem.	23	227	1984
CEPLUE	J. Chem. Soc. Chem. Commun.		485	1984
CEPMAL	Aust. J. Chem.	36	1107	1983
CEPMOZ	J. Am. Chem. Soc.	96	5427	1974
CEPYIF	J. Organomet. Chem.	262	123	1984
CERCUX	Acta Cryst. Sect. C	40	616	1984
CERDAE	Acta Cryst. Sect. C	40	619	1984
CERFAG	Acta Cryst. Sect. C	40	635	1984
CERFEK	Acta Cryst. Sect. C	40	635	1984
CERJIS	J. Organomet. Chem.	264	327	1984
CERKUF	J. Chem. Soc. Chem. Commun.		425	1984
CESGAI10	Organometallics	3	1003	1984
CESJOZ	J. Cryst. Spectrosc.	14	21	1984
CESKIU	J. Cryst. Spectrosc.	14	143	1984
CESNAP	J. Chem. Soc. Dalton Trans.		735	1984
CESNET	J. Chem. Soc. Dalton Trans.		719	1984
CESTOJ	J. Am. Chem. Soc.	106	1699	1984
CESVUR	J. Am. Chem. Soc.	106	1853	1984
CESXUT	J. Chem. Soc. Chem. Commun.		501	1984
CESYAA	J. Chem. Soc. Chem. Commun.		501	1984
CESYII	Inorg. Chem.	22	3251	1983
CESZOP	Can. J. Chem.	62	332	1984
CESZUV	Can. J. Chem.	62	332	1984
CETGEN	Inorg. Chim. Acta	70	159	1983
CETGIR	Inorg. Chim. Acta	70	159	1983
CETKUH	J. Chem. Soc. Dalton Trans.		833	1984
CETMRH	Inorg. Chem.	18	2438	1979
CETPIR	J. Organomet. Chem.	90	101	1975
CETSIR	Acta Cryst. Sect. B	36	1206	1980
CEVFUE10	J. Am. Chem. Soc.	106	5934	1984
CEVHOA	J. Am. Chem. Soc.	106	1323	1984
CEVLAQ	J. Chem. Soc. Dalton Trans.		785	1984
CEWZIN10	Acta Cryst. Sect. C	40	1544	1984
CEXHUI	Inorg. Chem.	23	349	1984
CEXKAR	Inorg. Chem.	23	363	1984
CEXKUL	Inorg. Chem.	23	359	1984
CEXLUM	Inorg. Chem.	23	354	1984
CEXNAU	Organometallics	3	596	1984
CEXSAZ	Inorg. Chem.	23	511	1984
CEXTII	Organometallics	3	599	1984
CEXZIO	Inorg. Chem.	23	343	1984
CEXZOU	Inorg. Chem.	23	343	1984
CEYBEN	Inorg. Chem.	23	338	1984
CEYBIR	Inorg. Chem.	23	409	1984
CEYCOY	J. Chem. Soc. Dalton Trans.		399	1984
CEYCUE	J. Chem. Soc. Dalton Trans.		399	1984
CEYPEB	J. Organomet. Chem.	266	45	1984
CEYRON	Acta Cryst. Sect. C	40	795	1984
CEZKEX	Acta Cryst. Sect. C	40	751	1984
CEZMUP	Acta Cryst. Sect. C	40	746	1984
CEZNIE	Inorg. Chim. Acta	85	L19	1984
CEZWEJ	Inorg. Chim. Acta	84	57	1984
CEZWOT	Inorg. Chim. Acta	84	179	1984
CEZXAG	Inorg. Chim. Acta	84	179	1984
CEZYUB	Inorg. Chim. Acta	84	187	1984
CFBYRH	Acta Cryst. Sect. B	35	2321	1979
CFTPVP	J. Organomet. Chem.	150	157	1978
CHBPTC	J. Am. Chem. Soc.	101	4581	1979
CHDQOS	J. Chem. Soc. Chem. Commun.		853	1978
CHGACA	Acta Cryst. Sect. B	35	1239	1979
CHGALD	J. Chem. Soc. Dalton Trans.		1573	1978
CHPCUP	Can. J. Chem.	53	1949	1975
CHPECI	J. Organomet. Chem.	149	345	1978
CHPMOC	Acta Cryst. Sect. B	34	2439	1978
CHPRUS10	J. Chem. Soc. Dalton Trans.		2220	1981
CHVINO	Acta Cryst. Sect. B	34	2466	1978
CHXPCO	Aust. J. Chem.	31	47	1978
CIBGEZ	J. Chem. Soc. Chem. Commun.		799	1984
CIBHAW	Inorg. Chim. Acta	81	47	1984
CIBKED	Z. Naturforsch. Teil B	39	590	1984
CIBLUU	Z. Naturforsch. Teil B	39	538	1984
CIBYOB	Inorg. Chim. Acta	82	167	1984
CIBZAO	Inorg. Chim. Acta	82	167	1984
CICBOF	Inorg. Chim. Acta	82	161	1984
CICBUL	Inorg. Chim. Acta	82	161	1984
CICFID	Inorg. Chim. Acta	81	147	1984
CICLOP	Z. Naturforsch. Teil B	39	582	1984
CICYAO	Acta Cryst.	40	935	1984
CIDBAS	Inorg. Chem.	23	936	1984
CIDBEW	Inorg. Chem.	23	945	1984
CIDBOG	Chem. Ber.	117	1052	1984
CIDHEC	J. Am. Chem. Soc.	106	2990	1984
CIDJEE	J. Am. Chem. Soc.	106	2965	1984
CIFCAV	J. Chem. Soc. Chem. Commun.		710	1984
CIFGON	Inorg. Chem.	23	914	1984
CIFMAF	J. Chem. Soc. Dalton Trans.		845	1984
CIFNIO	Inorg. Chem.	23	938	1984
CIFXOE	J. Chem. Soc. Chem. Commun.		841	1984
CIGCOK	Angew. Chem. Int. Ed. Engl.	23	377	1984
CIGRAL	Inorg. Chim. Acta	92	151	1984
CIGVET	Inorg. Chem.	23	1009	1984
CIHLIO	Acta Cryst. Sect. C	40	1186	1984
CIHNEM	Acta Cryst. Sect. C	40	1161	1984
CIHRIU	Angew. Chem. Int. Ed. Engl.	23	311	1984
CIHXIA	J. Organomet. Chem.	263	C33	1984
CIHYOH	J. Am. Chem. Soc.	106	3054	1984
CIJDAA	J. Struct. Chem.	3	57	1984
CIJLUC	J. Organomet. Chem.	265	249	1984
CIJWIB	Angew. Chem. Int. Ed. Engl.	23	376	1984
CIJYOJ	Acta Cryst. Sect. C	40	1172	1984
CIKHOT	J. Struct. Chem.	3	13	1984
CIKJUB	J. Am. Chem. Soc.	106	2579	1984
CIKKAI	J. Am. Chem. Soc.	106	2583	1984
CIKPUH	Angew. Chem. Int. Ed. Engl.	22	977	1983
CIKTOF	Inorg. Chim. Acta	84	221	1984
CILCUV	Organometallics	3	939	1984
CILYAX	Acta Cryst. Sect. C	40	1320	1984
CIMGEK	Acta Cryst. Sect. C	40	1357	1984
CIMINU10	J. Am. Chem. Soc.	97	4519	1975
CIMVID	J. Chem. Soc. Chem. Commun.		1141	1984
CINKAL	J. Chem. Soc. Chem. Commun.		1000	1984
CINKUF	Inorg. Chem.	23	1387	1984
CINLAM	J. Organomet. Chem.	265	C19	1984
CINREW	Koord. Khim.	10	850	1984
CIPDIO	J. Am. Chem. Soc.	106	3356	1984
CIPGAJ	Acta Cryst. Sect. C	40	1552	1984
CIPNEU	J. Am. Chem. Soc.	106	3527	1984
CIPTAW	Inorg. Chim. Acta	83	75	1984
CIPTMN	J. Chem. Soc. Dalton Trans.		1625	1980
CIRDAI	Polyhedron	3	651	1984
CIRHUG	Polyhedron	3	505	1984
CIRJAO	Polyhedron	3	385	1984
CIRMAR	Acta Cryst. Sect. C	40	1533	1984
CIRNOG	J. Chem. Soc. Dalton Trans.		2039	1984
CIRNUM	J. Chem. Soc. Dalton Trans.		2039	1984
CIRSAX	Inorg. Chem.	23	1739	1984
CIRSEB	Inorg. Chem.	23	1739	1984
CIRVOO	Acta Cryst. Sect. C	40	1562	1984
CISZOT	J. Chem. Soc. Chem. Commun.		1082	1984
CITCIR	J. Am. Chem. Soc.	106	3371	1984
CITDEO	Polyhedron	3	303	1984
CITKIZ	Aust. J. Chem.	36	2175	1983
CIXHEW	Inorg. Chem.	23	2271	1984
CIXJIC	J. Chem. Soc. Dalton Trans.		1675	1984
CIXKAV	Inorg. Chem.	23	2286	1984
CIXLIE	J. Am. Chem. Soc.	106	4460	1984
CIXRUW	Can. J. Chem.	62	696	1984
CIXTUY	Angew. Chem. Int. Ed. Engl.	23	522	1984
CIXYAJ	Teor. Eksp. Khim.	19	685	1983
CIYBAN	Inorg. Chem.	23	2303	1984
CIYKAW	Organometallics	3	1223	1984
CIYMEC	Organometallics	3	1312	1984
CIYMIG	Organometallics	3	1310	1984
CIYTUZ01	Organometallics	3	1158	1984
CIZBES	J. Chem. Soc. Chem. Commun.		1317	1984
CIZBOC	J. Chem. Soc. Dalton Trans.		1731	1984
CIZGIB02	Kristallografiya	29	455	1984
CIZNUU	J. Chem. Soc. Dalton Trans.		1059	1984
CIZTEK	J. Organomet. Chem.	270	C49	1984
CLBCNV	Inorg. Chem.	19	3379	1980
CLCAME01	Zh. Neorg. Khim.	28	597	1983
CLFORE10	Koord. Khim.	6	963	1980
CLOSMO	Transition Met. Chem.	5	172	1980
CLPDZN	Bull. Chem. Soc. Jpn	53	1101	1980
CLPHTI	Inorg. Chem.	5	1782	1966
CLPOZN	Acta Cryst. Sect. B	36	2409	1980
CLPRCV	Acta Cryst. Sect. B	37	945	1981
CLPZIR	J. Inorg. Nucl. Chem.	35	4103	1973
CLTIMN	Inorg. Chem.	17	1848	1978
CLTPOC01	To be published			1980
CLZRAL	J. Organomet. Chem.	208	327	1981
CMASNI	Inorg. Chim. Acta	40	171	1980
CMNCBR	J. Am. Chem. Soc.	97	3053	1975
CMPORZ	J. Am. Chem. Soc.	100	3025	1978
CMURAG	J. Cryst. Mol. Struct.	2	125	1972
CMZTFE	J. Am. Chem. Soc.	96	7826	1974
CNBPAC	J. Organomet. Chem.	165	39	1979
CNBRUB	J. Chem. Soc. Chem. Commun.		271	1981
CNCOPP10	Inorg. Chem.	12	1304	1973
CNMPRE	Inorg. Chem.	10	578	1971
CNOFEA	Koord. Khim.	7	949	1981
CNOFEB	Koord. Khim.	7	949	1981
CNOPIR	Inorg. Chem.	7	2345	1968
CNPLPT	J. Chem. Soc. Dalton Trans.		973	1980
CNPRCV	J. Cryst. Mol. Struct.	10	61	1980
CNTPCP	J. Chem. Soc. Dalton Trans.		1932	1980
COBDUS	J. Chem. Soc. Dalton Trans.		1069	1984
COBGIJ	J. Chem. Soc. Dalton Trans.		1659	1984
COBHGA	Inorg. Chem.	20	863	1981
COBLIO	J. Am. Chem. Soc.	106	4749	1984
COBSOB	J. Organomet. Chem.	272	C17	1984
COBXOG	J. Chem. Soc. Chem. Commun.		1400	1984
COCKAG	Inorg. Chem.	23	2207	1984
COCKOU	J. Chem. Soc. Chem. Commun.		1362	1984
COCLEL	J. Chem. Soc. Chem. Commun.		1351	1984
COCNAJ	Angew. Chem. Int. Ed. Engl.	23	77	1984
COCPOZ	Acta Cryst. Sect. C	40	1699	1984
COCTCE	Inorg. Chem.	11	171	1972
COCTFT10	Inorg. Chem.	19	2560	1980
COCXOH	J. Organomet. Chem.	272	C62	1984
COCZEZ	Inorg. Chim. Acta	86	101	1984
CODCON	J. Chem. Soc. Chem. Commun.		1402	1984
CODHIM	J. Cryst. Spectrosc.	14	383	1984
CODJAG	Organometallics	3	1414	1984
CODJIO	Organometallics	3	1444	1984
CODPIR10	Inorg. Chem.	12	260	1973
COFVIC	Z. Naturforsch. Teil B	39	1076	1984
COFZEC	Inorg. Chim. Acta	86	L65	1984
COGHEL	J. Chem. Soc. Dalton Trans.		2081	1984
COGSIA	Gazz. Chim. Ital.	113	761	1983
COGWOK	Inorg. Chem.	23	2838	1984
COGXOL	Inorg. Chem.	23	2732	1984
COGXRU	Inorg. Chem.	19	3343	1980
COGXUR	Inorg. Chem.	23	2732	1984
COHCUX	Aust. J. Chem.	37	1395	1984
COHHIQ	Inorg. Chem.	23	2803	1984
COHNUI	Inorg. Chim. Acta	87	115	1984
COHTOI	J. Chem. Soc. Chem. Commun.		1425	1984
COJBOS	J. Chem. Soc. Chem. Commun.		1508	1984
COJDOU	Z. Naturforsch. Teil B	39	1199	1984
COJDUA	Z. Naturforsch. Teil B	39	1199	1984
COJYEF	Koord. Khim.	10	1116	1984
COKCIO	Acta Cryst. Sect. C	40	1820	1984
COKDUB	Acta Cryst. Sect. C	40	1836	1984
COKPIB	Inorg. Chim. Acta	95	147	1984
COKTIF	J. Chem. Soc. Chem. Commun.		1398	1984
COKZAD	Inorg. Chim. Acta	95	217	1984
COLDIQ	Angew. Chem. Int. Ed. Engl.	23	721	1984
COLDOW	Inorg. Chem.	23	2459	1984
COLDUC	Inorg. Chem.	23	2459	1984
COLFEO	Angew. Chem. Int. Ed. Engl.	23	726	1984
COLNAS	J. Am. Chem. Soc.	106	2033	1984
COLNEW	J. Am. Chem. Soc.	106	2033	1984
COLPIC	J. Am. Chem. Soc.	106	5561	1984
COLPOI	J. Am. Chem. Soc.	106	5561	1984
COLSEB	Inorg. Chem.	23	2519	1984
COLVII	Inorg. Chem.	23	2575	1984
COLWAB	Aust. J. Chem.	37	35	1984
COLZEI	Angew. Chem. Int. Ed. Engl.	23	735	1984
COMMAS	J. Organomet. Chem.	276	287	1984
COMPEZ	Koord. Khim.	10	1266	1984
COMPRH	Z. Naturforsch. Teil B	35	1104	1980
COMSUS	J. Chem. Soc. Chem. Commun.		1689	1984
COMTBH	Inorg. Chem.	18	3037	1979
COMYUY	Organometallics	3	1495	1984
CONBIQ	J. Organomet. Chem.	276	99	1984
CONFEQ01	J. Am. Chem. Soc.	106	5458	1984
CONKEV	J. Chem. Soc. Dalton Trans.		1343	1984
CONSON	J. Chem. Soc. Dalton Trans.		1781	1984
CONSUT	J. Chem. Soc. Dalton Trans.		1781	1984
CONTEE	J. Chem. Soc. Chem. Commun.		1283	1984
COPFOC	Acta Cryst. Sect. C	40	2030	1984
COPGAP	Acta Cryst. Sect. C	40	2035	1984
COPHAV	Acta Cryst. Sect. B	36	304	1980
COPKEX	J. Chem. Soc. Chem. Commun.		16	1985
COPLEY	J. Am. Chem. Soc.	106	5729	1984
COPMEZ	J. Organomet. Chem.	273	C29	1984
COPMID	J. Organomet. Chem.	273	C39	1984
COPNIR	J. Organomet. Chem.	197	95	1980
COPVIM	J. Am. Chem. Soc.	106	5178	1984
COPVOS	J. Am. Chem. Soc.	106	5178	1984
COPXIO	J. Am. Chem. Soc.	106	6305	1984
CORHOG	J. Am. Chem. Soc.	106	4478	1984
COSLAX	Bull. Chem. Soc. Jpn	57	1809	1984
COSLEB	Bull. Chem. Soc. Jpn	57	1809	1984
COSLIF	Bull. Chem. Soc. Jpn	57	1809	1984
COSMOM	J. Chem. Soc. Chem. Commun.		1710	1984
COSROR	J. Organomet. Chem.	275	63	1984
COSSAE	J. Organomet. Chem.	273	221	1984
COSSOS	Angew. Chem. Int. Ed. Engl.	23	640	1984
COSTEJ	Angew. Chem. Int. Ed. Engl.	23	626	1984
COSTIN	J. Organomet. Chem.	276	79	1984
COSWUC	Acta Cryst. Sect. C	41	27	1985
COSZOZ	J. Am. Chem. Soc.	106	6841	1984
COTDOE	J. Organomet. Chem.	270	365	1984
COTFAS	J. Organomet. Chem.	273	333	1984
COTFEW	J. Organomet. Chem.	273	111	1984
COTFPT	J. Chem. Soc. Dalton Trans.		2095	1980
COTGEX	Inorg. Chem.	23	2867	1984
COTPOQ01	Acta Cryst. Sect. B	40	606	1984
COTROP	J. Chem. Soc. Dalton Trans.		1898	1975
COTROQ	Aust. J. Chem.	32	1219	1979
COTSEJ	Angew. Chem. Int. Ed. Engl.	23	160	1984
COTTIC10	J. Organomet Chem.	92	329	1975
COTZRF	J. Organomet. Chem.	42	129	1972
COTZRH10	Inorg. Chem.	14	3053	1975
COVBIY	Inorg. Chem.	23	2853	1984
COVROU	J. Chem. Soc. Chem. Commun.		1585	1984
COVVUE	J. Organomet. Chem.	273	361	1984
COVYIV	J. Chem. Soc. Chem. Commun.		178	1985
COWGEA	Angew. Chem. Int. Ed. Engl.	23	740	1984
COWSOW	Acta Cryst. Sect. C	41	55	1985
CPAINC	J. Chem. Soc. Dalton Trans.		83	1979
CPASRU	Inorg. Chem.	18	2658	1979
CPBORN	Z. Naturforsch. Teil B	33	1410	1978
CPBUMO	J. Chem. Soc. Dalton Trans.		2629	1973
CPBZTB	J. Am. Chem. Soc.	102	6744	1980
CPCBCR	Chem. Ber.	112	1320	1979
CPCDSV	J. Chem. Soc. Dalton Trans.		1612	1979
CPCFEA10	Inorg. Chem.	21	1321	1982
CPCLBT	Zh. Strukt. Khim.	17	1073	1976
CPCMZW	Inorg. Chem.	18	2423	1979
CPCOPT	J. Am. Chem. Soc.	95	2175	1973
CPDYSW10	J. Cryst. Mol. Struct.	2	135	1972
CPETNB	J. Am. Chem. Soc.	96	5420	1974
CPFMPI10	J. Chem. Soc. Dalton Trans.		291	1975
CPFPEY	J. Chem. Soc. Dalton Trans.		2025	1974
CPFPTI10	J. Am. Chem. Soc.	105	416	1983
CPFVLV	J. Organomet. Chem.	197	217	1980
CPFYBA10	Inorg. Chem.	19	2999	1980
CPHMOC	J. Organomet. Chem.	212	77	1981
CPHSTH	Acta Cryst. Sect. B	36	292	1980
CPHSVB	Inorg. Chem.	19	2755	1980
CPITTI	Acta Cryst. Sect. B	32	909	1976
CPMNTI	Acta Cryst. Sect. B	32	909	1976
CPMPTA	J. Chem. Soc. Dalton Trans.		793	1981
CPNOCC10	J. Chem. Soc. A		605	1970
CPOMOA	J. Am. Chem. Soc.	103	1269	1981
CPPHZR	J. Organomet. Chem.	204	67	1981
CPPYMO10	Acta Cryst. Sect. B	33	2608	1977
CPPYYB01	Inorg. Chem.	16	2710	1977
CPSENI	Inorg. Chim. Acta	39	111	1980
CPSNBA	Acta Cryst. Sect. B	36	2986	1980
CPSNBB	Acta Cryst. Sect. B	36	2986	1980
CPSXER	Inorg. Chem.	15	797	1976
CPTCFF	J. Organomet. Chem.	179	187	1979
CPTHGD10	J. Organomet. Chem.	192	65	1980
CPTICN10	J. Chem. Soc. Dalton Trans.		152	1979
CPTIOO	J. Am. Chem. Soc.	99	5829	1977
CPTOMN	J. Chem. Soc. Chem. Commun.		404	1977
CPTPHF	J. Am. Chem. Soc.	98	2454	1976
CPYBHF	J. Chem. Soc. Chem. Commun.		810	1980
CPYRTI10	Inorg. Chem.	19	2368	1980
CPZHZN	J. Chem. Soc. Dalton Trans.		447	1976
CPZRHF10	Inorg. Chem.	14	352	1975
CRMTBH	Inorg. Chem.	18	3037	1979
CROPPH10	Inorg. Chem.	21	657	1982
CSACTI	Cryst. Struct. Commun.	9	469	1980
CSCREC	Inorg. Chem.	5	1189	1966
CSTPRH	Inorg. Chem.	8	1921	1969
CTAZPD10	Inorg. Chem.	15	2428	1976
CTDPIR	Inorg. Chem.	19	2733	1980
CTENCO20	Acta Cryst. Sect. B	31	85	1975
CTERUC	J. Am. Chem. Soc.	90	5412	1968
CTHUCO10	Inorg. Chem.	8	2367	1969
CTMPTC	J. Chem. Soc. Dalton Trans.		125	1976
CTMSIC	J. Chem. Soc. Dalton Trans.		2010	1980
CTNSCR10	Inorg. Chem.	18	3548	1979
CTPIRB	J. Chem. Soc. Dalton Trans.		117	1979
CTZPRU	Inorg. Chem.	12	1676	1973
CUCOES	Bull. Chem. Soc. Jpn	51	2920	1978
CUDPTZ10	Aust. J. Chem.	28	2377	1975
CUMPCO	J. Organomet. Chem.	113	57	1976
CUSGAY	Inorg. Chem.	23	4758	1984
CUTROP01	Acta Cryst. Sect. B	34	3071	1978
CVMOMP10	Inorg. Chem.	13	1667	1974
CXFMPR	J. Chem. Soc. Dalton Trans.		390	1976
CXINPR10	J. Organomet. Chem.	120	361	1976
CXPHOW	Acta Cryst. Sect. B	34	762	1978
CXPORH	J. Organomet. Chem.	71	125	1974
CYCRTF	J. Organomet. Chem.	131	65	1977
CYPRMO	Inorg. Chem.	14	98	1975
CYPRZR10	Inorg. Chem.	19	2368	1980
CYSFAC10	Inorg. Chem.	7	1770	1968
CYZNIC10	Koord. Khim.	5	585	1979
DAESCO	Acta Chem. Scand. Ser. A	32	501	1978
DAPRCX	Finn. Chem. Lett.		58	1978
DAPSCR10	Inorg. Chem.	15	1814	1976
DAPSMO	Aust. J. Chem.	32	1199	1979
DASTCA10	Acta Cryst. Sect. B	36	1662	1980
DAZHCF	J. Am. Chem. Soc.	99	3293	1977
DAZRUC10	J. Am. Chem. Soc.	99	6588	1977
DBEZHG	Acta Cryst. Sect. B	35	746	1979
DCAZPD	Inorg. Chem.	14	2475	1975
DCHPDY10	J. Chem. Soc. Dalton Trans.		1300	1980
DCHPLU10	J. Chem. Soc. Dalton Trans.		1300	1980
DCMCPD	Inorg. Chem.	16	2403	1977
DEDTFE10	Inorg. Chem.	16	2691	1977
DETSOK	J. Am. Chem. Soc.	107	7212	1985
DFBENV	Inorg. Chem.	15	2976	1976
DIPNIP	Z. Naturforsch. Teil B	34	1289	1979
DMDECO01	Acta Cryst. Sect. B	35	2547	1979
DMDTPN10	Acta Cryst. Sect. B	25	1939	1969
DMHERU01	J. Chem. Soc. Dalton Trans.		1040	1978
DMPCOV	Chem. Ber.	111	3472	1978
DMPMPW10	Inorg. Chem.	18	2454	1979
DMPZCO	Can. J. Chem.	57	3119	1979
DMPZFE	Can. J. Chem.	57	3119	1979
DMSOHG	Acta Chem. Scand. Ser. A	32	95	1978
DMXPMO10	Inorg. Chem.	17	2087	1978
DPCBWC	J. Am. Chem. Soc.	99	2127	1977
DPCLRE10	Koord. Khim.	3	1060	1977
DPEPOW	J. Organomet. Chem.	34	353	1972
DPINRE	Chem. Ber.	111	2067	1978
DPKEVB	Inorg. Chem.	20	1173	1981
DPPTCC	Acta Cryst. Sect. B	36	159	1980
DPSCMN	J. Am. Chem. Soc.	95	783	1973
DPSEHG01	Z. Naturforsch. Teil B	33	1227	1978
DSENCO	Inorg. Chem.	19	2545	1980
DTCPPD10	J. Chem. Soc. Dalton Trans.		572	1976
DTHCUC	J. Chem. Soc. Dalton Trans.		416	1978
DTPANI10	J. Chem. Soc. Dalton Trans.		2315	1977
EAPZNI	Can. J. Chem.	57	3099	1979
ECYFTI	J. Coord. Chem.	4	71	1974
EDTCIR	J. Chem. Soc. Dalton Trans.		32	1976
EDTCMO	Inorg. Chem.	12	2179	1973
EFASCO01	Acta Cryst. Sect. B	38	2541	1982
EFMCPV	Inorg. Chem.	18	2282	1979
EFUMNI	J. Organomet. Chem.	110	129	1976
EINICI	Inorg. Chem.	18	1109	1979
EMABOB	J. Organomet. Chem.	191	15	1980
EMASOU10	J. Inorg. Nucl. Chem.	36	1999	1974
EMTCTJ	J. Am. Chem. Soc.	101	5268	1979
EMTCZR	Inorg. Chem.	17	2120	1978
ENAZPU10	Inorg. Chem.	9	2768	1970
ENGUPD	Can. J. Chem.	58	381	1980
ENSPAU	Acta Cryst. Sect. B	31	370	1975
EOBCPT10	J. Chem. Soc. Dalton Trans.		684	1979
EPAILA	J. Chem. Soc. Chem. Commun.		774	1979
EPMSPN11	Acta Cryst. Sect. B	38	748	1982
EPPTPD	Acta Cryst. Sect. B	31	2691	1975
ESALTJ	J. Chem. Soc. Dalton Trans.		545	1978
ESCTHW20	J. Chem. Soc. Dalton Trans.		506	1981
ESEXFE10	Inorg. Chem.	9	2775	1970
ESICRE	Inorg. Chem.	16	2321	1977
ESITCO	J. Am. Chem. Soc.	93	7156	1971
ETACHG	Aust. J. Chem.	32	311	1979
ETCOXV	J. Chem. Soc. Dalton Trans.		26	1976
ETDYRE	Chem. Ber.	114	867	1981
ETNTCD	Koord. Khim.	6	1606	1980
ETPSCO10	Chem. Ber.	116	1441	1983
ETPSTI	Z. Anorg. Allg. Chem.	472	133	1981
ETXACR10	Acta Cryst. Sect. B	30	2788	1974
EXAPYZ	Aust. J. Chem.	29	731	1976
EXPHCO	J. Organomet. Chem.	150	279	1978
EXPNCD	Aust. J. Chem.	29	739	1976
EYCCMN	Inorg. Chem.	18	3483	1979
EYPCOS	Inorg. Chem.	18	156	1979
EYPIPD	J. Organomet. Chem.	129	273	1977
FACCRE	Inorg. Chem.	17	176	1978
FACMNB	Inorg. Chem.	20	1287	1981
FACTNI	Acta Cryst. Sect. B	37	240	1981
FAHGME	J. Chem. Soc. Chem. Commun.		646	1974
FAHGME10	Cryst. Struct. Commun.	11	565	1982
FAMPMO	J. Am. Chem. Soc.	102	1558	1980
FAPZTH10	Inorg. Chem.	15	1827	1976
FATBOS10	J. Organomet. Chem.	259	215	1983
FBSIMO	Inorg. Chem.	20	199	1981
FDMSON	J. Chem. Soc. Dalton Trans.		2171	1975
FEBUTS10	Inorg. Chem.	9	2430	1970
FEFRMT	Acta Cryst. Sect. B	36	3107	1980
FEHPYO	Aust. J. Chem.	31	713	1978
FEPICA	Inorg. Chem.	19	658	1980
FLCPNI	J. Fluorine Chem.	16	339	1980
FLDXCO10	J. Chem. Soc. Dalton Trans.		337	1982
FLMECE	Inorg. Chem.	19	3553	1980
FMBCNI	J. Chem. Soc. Dalton Trans.		2466	1975
FMBTMO	J. Chem. Soc. Chem. Commun.		410	1979
FMEACA10	J. Organomet. Chem.	220	239	1981
FMPENR	Acta Cryst. Sect. B	33	319	1977
FMPHNI	Inorg. Chem.	17	3478	1978
FMPZCO	Cryst. Struct. Commun.	5	441	1976
FMSEPD	Inorg. Chem.	18	1129	1979
FMTPHG	Acta Cryst. Sect. B	35	1770	1979
FPCYTP10	Koord. Khim.	2	278	1976
FPOTIP	Helv. Chim. Acta	55	2990	1972
FSCUCO	Inorg. Chem.	19	2945	1980
FSMICO	J. Am. Chem. Soc.	98	5153	1976
FTLAMN	Inorg. Chem.	19	2740	1980
GEIAYB10	Koord. Khim.	9	1131	1983
HAPZPT10	J. Am. Chem. Soc.	99	5277	1977
HBHOSM	J. Chem. Soc. Dalton Trans.		1983	1979
HBMPMO	J. Chem. Soc. Dalton Trans.		467	1980
HBTHFY	Inorg. Chem.	17	844	1978
HBUPRH	J. Chem. Soc. Chem. Commun.		498	1979
HCYPMO02	Inorg. Chem.	16	3303	1977
HDYCMN	J. Chem. Soc. Dalton Trans.		1630	1979
HENAEB	Zh. Neorg. Khim.	25	1999	1980
HEPPTB	Can. J. Chem.	56	1773	1978
HETALA11	Koord. Khim.	8	1688	1982
HETCRB10	J. Am. Chem. Soc.	103	6073	1981
HETPOS	J. Chem. Soc. Chem. Commun.		801	1981
HETSRE	Inorg. Chem.	16	2325	1977
HETXCU	Inorg. Chem.	17	3034	1978
HFCATH	Inorg. Chem.	18	1611	1979
HFURMN	J. Organomet. Chem.	197	357	1980
HGETCB10	Acta Cryst. Sect. B	29	2115	1973
HGTXZO	Acta Cryst. Sect. B	35	1702	1979
HGXIMC	J. Chem. Soc. Dalton Trans.		96	1976
HIMPDA	J. Chem. Soc. Dalton Trans.		1992	1980
HISTPD	Acta Cryst. Sect. B	32	2472	1976
HMPCIC01	J. Am. Chem. Soc.	100	3071	1978
HMPEZR	J. Am. Chem. Soc.	102	4941	1980
HMTCRC10	Acta Cryst. Sect. B	31	423	1975
HMTNRH	Cryst. Struct. Commun.	8	1011	1979
HMTZCR	Inorg. Chem.	16	1055	1977
HMYCFE01	J. Am. Chem. Soc.	103	1485	1981
HNBPRH10	Inorg. Chem.	15	2462	1976
HOSTBC10	Inorg. Chem.	18	1909	1979
HPCXNI	Inorg. Chem.	16	1127	1977
HPETOS	J. Chem. Soc. Dalton Trans.		788	1981
HPHOMO10	Acta Cryst. Sect. B	28	1278	1972
HPMCRH11	Inorg. Chem.	23	1828	1984
HPMXCW10	Z. Anorg. Allg. Chem.	455	43	1979
HPNONI	Acta Cryst. Sect. B	36	1944	1980
HPSCIR	Acta Cryst. Sect. B	32	1513	1976
HPZPOS	Inorg. Chem.	14	2617	1975
HTEMOA	Z. Anorg. Allg. Chem.	473	91	1981
HTSIXI10	J. Organomet. Chem.	164	371	1979
HXETOW10	J. Am. Chem. Soc.	103	6093	1981
HYBIOS	Inorg. Chem.	18	2255	1979
HZBTFE	Z. Naturforsch. Teil B	33	1341	1978
IATCNI	Rec. J. P. Neth. Chem. Soc.	99	65	1980
IBTCPT	Inorg. Chem.	17	394	1978
ICNPCU10	Acta Cryst. Sect. B	38	2145	1982
ICNPIR	Inorg. Chem.	8	1282	1969
ICPNMN	Acta Cryst. Sect. B	36	1933	1980
IFPPAU	J. Chem. Soc. Dalton Trans.		1481	1972
IMDZAG	J. Chem. Soc. Dalton Trans.		1682	1980
IMIDZA	Z. Anorg. Allg. Chem.	464	187	1980
IMNPTA10	Inorg. Chem.	20	2899	1981
IMZCUN	J. Chem. Soc. Dalton Trans.		263	1975
IMZZNN	J. Am. Chem. Soc.	100	6063	1978
INDCEP	Acta Cryst. Sect. B	35	457	1979
INDMTI	Inorg. Chem.	14	1757	1975
INDRHA	J. Chem. Soc. Dalton Trans.		400	1981
INDRHB	J. Chem. Soc. Dalton Trans.		400	1981
IPHPRU	J. Chem. Soc. Dalton Trans.		366	1977
IPPHWH01	Inorg. Chem.	23	4103	1984
IPRNIP	Tetrahedron Lett.		1457	1972
IPTXMO	Inorg. Chem.	17	414	1978
IPVRUB	J. Chem. Soc. Chem. Commun.		476	1981
IRCNIR	Inorg. Chem.	19	3168	1980
IRTCPP10	J. Am. Chem. Soc.	93	2391	1971
ISNHSM	Inorg. Chem.	18	2045	1979
ITDASC	Inorg. Chem.	14	624	1975
KCPTCR01	Inorg. Chem.	20	158	1981
KCUDED10	Inorg. Chem.	15	1853	1976
KOXHFP10	Acta Cryst. Sect. B	33	3126	1977
KXOXRE	Acta Cryst. Sect. B	31	1594	1975
LDHPCR10	J. Chem. Soc. Dalton Trans.		1604	1977
LIBCRC	J. Chem. Soc. Dalton Trans.		1863	1980
MABUMO10	J. Organomet. Chem.	129	91	1977
MADCZB10	Acta Cryst. Sect. B	32	1687	1976
MAEMAZ11	Acta Cryst. Sect. B	36	2950	1980
MALCDB	Koord. Khim.	6	793	1980
MALLPT	J. Organomet. Chem.	90	111	1975
MAMPZN	Acta Cryst. Sect. B	33	1310	1977
MAQUNI10	J. Chem. Soc. Dalton Trans.		2494	1975
MARHAA10	J. Chem. Soc. A		817	1971
MASBCM	J. Chem. Soc. Dalton Trans.		783	1974
MAUFMS	Inorg. Chem.	16	2138	1977
MAZCOC	J. Am. Chem. Soc.	103	1431	1981
MBZACR	Inorg. Chem.	18	3566	1979
MBZCRC	J. Organomet. Chem.	94	409	1975
MBZCRP	J. Organomet. Chem.	101	209	1975
MCBCMN	J. Organomet. Chem.	139	C68	1977
MCECZN	J. Am. Chem. Soc.	95	1170	1973
MCENCR	Inorg. Chem.	12	2690	1973
MCETMN	J. Chem. Soc. Dalton Trans.		1077	1977
MCHFHB10	J. Am. Chem. Soc.	100	2709	1978
MCPEIR	Inorg. Chem.	15	58	1976
MCPNZR	J. Am. Chem. Soc.	98	8351	1976
MCPYBC	Inorg. Chem.	14	1376	1975
MCTCEW	J. Chem. Soc. Chem. Commun.		30	1979
MCYTAG10	Inorg. Chem.	18	240	1979
MDNCAZ10	Inorg. Chem.	17	444	1978
MEAZAU	Inorg. Chem.	20	853	1981
MEDOFE10	J. Org. Chem.	46	3630	1981
MEGUHG	J. Chem. Soc. Dalton Trans.		1693	1980
MEIMMN	Acta Cryst. Sect. B	32	687	1976
MEKTMO	Acta Cryst. Sect. B	31	297	1975
MENTFE	J. Am. Chem. Soc.	96	6519	1974
MEOBFE	J. Organomet. Chem.	208	353	1981
MEORHC	J. Chem. Soc. Dalton Trans.		2467	1980
MEPEFE10	Organometallics	2	1220	1983
MEPGFE	Can. J. Chem.	57	3113	1979
MEPOSW	J. Am. Chem. Soc.	103	817	1981
MEPRUA	J. Chem. Soc. Dalton Trans.		1771	1980
MEPZFE	Inorg. Chem.	19	3655	1980
MERQCD10	Latv. PSR Zinat. Akad. Vestis. Kim. Sec.		259	1979
MESACV	Acta Cryst. Sect. B	34	1842	1978
MESOCO	Inorg. Chem.	15	2758	1976
MESTCR	J. Organomet. Chem.	210	211	1981
METHGD	Aust. J. Chem.	32	1165	1979
MICPIR10	J. Chem. Soc. Dalton Trans.		1119	1978
MICCNI	J. Coord. Chem.	1	275	1971
MNACAZ30	Inorg. Chem.	14	722	1975
MNAZHG	Transition Met. Chem.	6	86	1981
MNMTBH	Inorg. Chem.	18	3037	1979
MNPHCY03	Acta Cryst. Sect. B	36	2963	1980
MNPROP	Acta Cryst. Sect. B	33	2964	1977
MNTPPI10	J. Am. Chem. Soc.	99	2557	1977
MNXCMN	J. Organomet. Chem.	146	39	1978
MOBOCO10	J. Chem. Soc. Dalton Trans.		1876	1974
MODIPT	Inorg. Chem.	20	633	1981
MOPAZW	Inorg. Chem.	19	1450	1980
MORTMN	J. Am. Chem. Soc.	98	5159	1976
MOSHIS10	J. Chem. Soc. Dalton Trans.		1077	1975
MOTCMN	J. Chem. Soc. Dalton Trans.		2517	1975
MOTCRH	J. Chem. Soc. Dalton Trans.		2517	1975
MPASCO	Can. J. Chem.	55	438	1977
MPAUSN	Acta Cryst. Sect. B	34	278	1978
MPBMOE10	J. Chem. Soc. Dalton Trans.		429	1982
MPCRCO	Chem. Ber.	111	3472	1978
MPEYCR10	J. Chem. Soc. Dalton Trans.		671	1983
MPFPNI	J. Chem. Soc. Dalton Trans.		670	1972
MPMYRU	J. Am. Chem. Soc.	101	4128	1979
MPNDAG	Inorg. Chem.	14	632	1975
MPORFE10	Inorg. Chem.	22	2982	1983
MPPCDC	Inorg. Chim. Acta	38	191	1980
MPPDBN	J. Chem. Soc. Chem. Commun.		322	1978
MPRUAC	S. Afr. J. Chem.	31	155	1978
MPTBRH	J. Chem. Soc. Dalton Trans.		804	1980
MPTCRH	J. Chem. Soc. Dalton Trans.		1713	1976
MPYOER10	Cryst. Struct. Commun.	10	703	1981
MPZHZN	J. Chem. Soc. Dalton Trans.		447	1976
MSEUHG	J. Organomet. Chem.	172	201	1979
MSIPEP	J. Chem. Soc. Dalton Trans.		1749	1979
MSISMN	J. Organomet. Chem.	47	403	1973
MSORHB	Inorg. Chem.	19	2347	1980
MSTPPT	Transition Met. Chem.	4	147	1979
MTPAPT	Acta Cryst. Sect. B	27	73	1971
MTXPVE	J. Am. Chem. Soc.	95	6046	1973
MXOXRE10	J. Chem. Soc. Dalton Trans.		2467	1980
MYCCMN10	Inorg. Chem.	21	645	1982
NBCZNB10	Koord. Khim.	5	1103	1979
NBPCCO	Acta Cryst. Sect. B	34	1978	1978
NBPMOX	Inorg. Chem.	15	1196	1976
NCPRHB	J. Organomet. Chem.	192	235	1980
NEPPRE	Inorg. Chem.	6	197	1967
NETNIP02	Inorg. Chem.	21	1729	1982
NETPRE	Inorg. Chem.	6	204	1967
NIAQAC03	Kristallografiya	25	287	1980
NIPHTI	J. Am. Chem. Soc.	102	6702	1980
NMEDNI10	Aust. J. Chem.	34	2047	1981
NMSPEM	Acta Cryst. Sect. B	30	2778	1974
NOMPRE	J. Am. Chem. Soc.	102	6154	1980
NPHZIR	Inorg. Chem.	16	2462	1977
NPMCMN	Chem. Ber.	105	1230	1972
NPMCTI	J. Am. Chem. Soc.	98	8358	1976
NPNTAB	J. Am. Chem. Soc.	103	169	1981
NRBIRB	Inorg. Chem.	19	3755	1980
NREDTC10	J. Chem. Soc. Dalton Trans.		1079	1972
NSDPRH10	Inorg. Chem.	16	2473	1977
NSMEDT02	Acta Cryst. Sect. C	40	1687	1984
NSOSPP10	J. Chem. Soc. Dalton Trans.		463	1975
NTPAAG	Z. Kristallogr.	152	253	1980
NTPHCU	J. Chem. Soc. Dalton Trans.		1993	1975
NTPOCE	Inorg. Chem.	10	115	1971
NTPYCR	Inorg. Chim. Acta	22	81	1977
OACPMN	J. Chem. Soc. Chem. Commun.		62	1978
OACTUR	Acta Cryst. Sect. B	32	2707	1976
OAMSCO	Inorg. Chem.	18	125	1979
OATURE	Acta Cryst. Sect. B	33	944	1977
OAZPMN10	Acta Cryst. Sect. B	30	1635	1974
OCBTZR	J. Organomet. Chem.	166	179	1979
OCHTPI	J. Am. Chem. Soc.	96	5070	1974
OCPPRE	Inorg. Chem.	7	1784	1968
OCTCMO10	J. Chem. Soc. Dalton Trans.		187	1982
ODACND	Acta Chem. Scand.	24	3257	1970
ODMNBR	Inorg. Chem.	19	1801	1980
OHCPLU	J. Chem. Soc. Chem. Commun.		706	1981
ONBCBU	Koord. Khim.	3	1600	1977
OPENBO10	Acta Cryst. Sect. B	27	1582	1971
OTPCHG	Can. J. Chem.	57	2217	1979
OTPHMO	Inorg. Chem.	19	2061	1980
OXBUDC10	Inorg. Chem.	17	1976	1978
OXCFOR	Transition Met. Chem.	1	151	1976
OXCOCP10	Chem. Ber.	112	1731	1979
OXCPSM10	J. Chem. Soc. Dalton Trans.		1350	1978
OXMCHF	Inorg. Chem.	15	2284	1976
OXMCUA	Inorg. Chem.	20	537	1981
OXPTCC	J. Am. Chem. Soc.	102	1570	1980
PABZTA	Inorg. Chem.	14	1358	1975
PACPRH10	Inorg. Chem.	15	97	1976
PAIDMO	Inorg. Chem.	18	1634	1979
PAPMCO10	Inorg. Chem.	9	2211	1970
PASACR	Acta Cryst. Sect. B	35	951	1979
PASETI	Inorg. Chim. Acta	50	125	1981
PASMRE	Aust. J. Chem.	28	1201	1975
PAUELI10	Inorg. Chem.	16	1090	1977
PAZHGN	Z. Anorg. Allg. Chem.	409	1	1974
PAZMPI	J. Am. Chem. Soc.	98	7608	1976
PAZPPT10	Inorg. Chem.	15	2794	1976
PBARTC	Inorg. Chem.	14	2027	1975
PBUDRI10	Inorg. Chem.	19	3590	1980
PCBASC	J. Organomet. Chem.	142	195	1977
PCFMRU10	J. Cryst. Mol. Struct.	5	163	1975
PCHIRH10	Inorg. Chem.	21	1307	1982
PCLPIR	Inorg. Chem.	19	1231	1980
PCLTCA10	Inorg. Chem.	21	1941	1982
PCOPIM10	J. Organomet. Chem.	172	251	1979
PCPCOS	Inorg. Chem.	19	134	1980
PCPHYB	Inorg. Chem.	15	2226	1976
PCRNIB	Z. Anorg. Allg. Chem.	475	109	1981
PCTATL10	Inorg. Chem.	19	2352	1980
PCTXCR	Cryst. Struct. Commun.	6	835	1977
PDDMSX10	Acta Cryst.	23	788	1967
PDPMNC	Z. Naturforsch. Teil B	31	1166	1976
PDPMZR10	J. Am. Chem. Soc.	99	6645	1977
PDTHBA10	J. Chem. Soc. Dalton Trans.		2250	1975
PEAMNI	Inorg. Chem.	16	1669	1977
PEYEPP	J. Organomet. Chem.	117	91	1976
PEYHGP	Acta Cryst. Sect. B	34	3382	1978
PFPBTI	Inorg. Chem.	17	3257	1978
PGECBC	J. Organomet. Chem.	179	215	1979
PHACCS	Koord. Khim.	6	1407	1980
PHCORE	J. Organomet. Chem.	188	367	1980
PHGMQU	Aust. J. Chem.	31	537	1978
PHGTFA	Izv. Jugosl. Cent. Krist. Ser. A	11	32	1976
PHHGAC01	Croat. Chem. Acta	57	145	1984
PHIMDW	J. Chem. Soc. Chem. Commun.		103	1981
PHPCIR10	S. Afr. J. Chem.	36	85	1983
PHPECU01	J. Organomet. Chem.	159	441	1978
PHPNCD	J. Chem. Soc. Chem. Commun.		492	1980
PHQUMO	Inorg. Chem.	16	2970	1977
PHRLCU	Acta Cryst. Sect. B	36	2407	1980
PHSNFE	J. Organomet. Chem.	205	193	1981
PHTHCU01	Cryst. Struct. Commun.	11	1495	1982
PHTPRE	J. Chem. Soc. Chem. Commun.		825	1978
PHYZMN	Koord. Khim.	5	909	1979
PIVMNB10	J. Am. Chem. Soc.	97	2712	1975
PMBPAG10	Inorg. Chem.	22	2356	1983
PMCBTI	Inorg. Chem.	18	1215	1979
PMCMNB	Inorg. Chem.	12	2262	1973
PMCPUC10	Organometallics	1	170	1982
PMCZNE	Inorg. Chem.	17	388	1978
PMDTTI10	Inorg. Chem.	18	3069	1979
PMECAC	Inorg. Chem.	16	2367	1977
PMENIB20	Inorg. Chem.	17	632	1978
PMISNI	Inorg. Chem.	13	2529	1974
PMPDCU	Acta Cryst. Sect. B	35	3058	1979
PMPZAG10	Acta Cryst. Sect. B	35	177	1979
PMYPCW	Inorg. Chem.	12	2923	1973
PNENCO10	Inorg. Chem.	15	2989	1976
PNMNCP	J. Am. Chem. Soc.	100	6766	1978
PNOLTI	J. Am. Chem. Soc.	102	5969	1980
PNPMOA	J. Am. Chem. Soc.	103	398	1981
POIRID	Transition Met. Chem.	5	222	1980
POSHRH10	J. Chem. Soc. Dalton Trans.		515	1981
POTCDR	Inorg. Chem.	11	161	1972
PPCOCO01	J. Organomet. Chem.	193	247	1980
PPEAUC	Chem. Ber.	110	2751	1977
PPHCHN10	Inorg. Chem.	8	2719	1969
PPMEIR	Inorg. Chim. Acta	37	L543	1979
PPMERH	Inorg. Chim. Acta	37	L543	1979
PPZBNI	Inorg. Chim. Acta	17	121	1976
PRNRHC	Inorg. Chem.	20	600	1981
PRNRHD	Inorg. Chem.	20	600	1981
PRXHQV	Inorg. Chem.	12	1758	1973
PRZBAG	J. Chem. Soc. Dalton Trans.		956	1981
PSIBTI	Inorg. Chem.	17	3257	1978
PSMNPC10	Inorg. Chem.	14	1138	1975
PSNIMO	Acta Cryst. Sect. B	37	439	1981
PSTOSA	J. Am. Chem. Soc.	102	6346	1980
PTCDNI20	J. Am. Chem. Soc.	94	7323	1972
PTHCZN	J. Am. Chem. Soc.	99	1101	1977
PTHFFE	J. Am. Chem. Soc.	102	2302	1980
PTOCNI10	J. Chem. Soc. Dalton Trans.		575	1984
PXBURE	Can. J. Chem.	51	1116	1973
PXTCMO10	J. Chem. Soc. Dalton Trans.		356	1977
PYAZCU10	Acta Cryst. Sect. B	28	1052	1972
PYBPIR	J. Chem. Soc. Chem. Commun.		589	1977
PYDSCU10	J. Am. Chem. Soc.	98	7569	1976
PYHGAN10	Cryst. Struct. Commun.	5	149	1976
PYMCXC	Z. Anorg. Allg. Chem.	432	203	1977
PYMOPH	Inorg. Chem.	18	3562	1979
PYRCUD	J. Chem. Soc. Chem. Commun.		906	1980
PYRMNC	J. Am. Chem. Soc.	98	1166	1976
PYRZNI	Koord. Khim.	6	1891	1980
PYSLCU	Inorg. Chem.	16	310	1977
PYXCDC	J. Inorg. Nucl. Chem.	40	1259	1978
PYZBNI	Cryst. Struct. Commun.	8	965	1979
PYZCUA01	Acta Cryst. Sect. B	31	762	1975
PYZRUA	Inorg. Chem.	20	1522	1981
PYZTCI	J. Am. Chem. Soc.	96	3438	1974
PZALPD10	J. Cryst. Mol. Struct.	7	137	1977
PZBZRU10	Inorg. Chem.	14	3046	1975
PZCPTI	Inorg. Chem.	17	2074	1978
RACCAF	J. Chem. Soc. Chem. Commun.		186	1980
REPETD10	Inorg. Chem.	5	411	1966
RUCABO	J. Am. Chem. Soc.	102	5782	1980
RUNCPP10	Helv. Chim. Acta	62	2159	1979
SALASM10	Inorg. Chem.	16	289	1977
SALEZN	Chem. Pharm. Bull.	27	424	1979
SAZPZR	Inorg. Chem.	18	2908	1979
SCATUR	J. Am. Chem. Soc.	100	7882	1978
SCLIRA10	Inorg. Chem.	20	2691	1981
SCPDCC	Inorg. Chem.	18	3542	1979
SCQUCO	J. Chem. Soc. Dalton Trans.		1504	1981
SCYSCR	Inorg. Chem.	16	1494	1977
SDAPOU20	Acta Cryst. Sect. B	35	3091	1979
SECPOS	J. Am. Chem. Soc.	101	6577	1979
SFSTPD	Koord. Khim.	6	1115	1980
SIBONI	J. Organomet. Chem.	191	27	1980
SMHXAZ10	Inorg. Chem.	18	3044	1979
SMNICD	J. Am. Chem. Soc.	94	1858	1972
SNCOCR	Cryst. Struct. Commun.	9	383	1980
SNSCRB	J. Organomet. Chem.	216	245	1981
SNTLHF	J. Chem. Soc. Chem. Commun.		117	1981
SOCPRH	Chem. Ber.	114	716	1981
SPCNFE	J. Chem. Soc. Dalton Trans.		1965	1980
SPHFEC10	Inorg. Chem.	17	2568	1978
SPPEIR	J. Am. Chem. Soc.	94	3413	1972
STAETC	Inorg. Chem.	17	1410	1978
STETCU	Inorg. Chem.	8	2763	1969
SULPDC10	Acta Cryst. Sect. B	32	669	1976
SULPMS	Inorg. Chem.	15	1807	1976
SXPMNI01	Inorg. Chem.	15	2768	1976
TABYCP10	Inorg. Chem.	18	171	1979
TACDRH10	Zh. Neorg. Khim.	23	1044	1978
TACNIH10	Acta Chem. Scand. Ser. A	31	501	1977
TACPTH	J. Am. Chem. Soc.	99	1775	1977
TACTHB	Acta Cryst. Sect. B	34	3770	1978
TAMHGC	Cryst. Struct. Commun.	6	157	1977
TAMPHG	J. Am. Chem. Soc.	101	7729	1979
TAZCFE	Isr. J. Chem.	15	165	1977
TAZOCO10	Inorg. Chem.	16	271	1977
TAZRUP10	Inorg. Chem.	15	2788	1976
TAZTDG	J. Chem. Soc. Dalton Trans.		144	1975
TBARHC	Inorg. Chem.	10	566	1971
TBCBFE	Chem. Ber.	111	3530	1978
TBIAZR	Inorg. Chem.	18	2030	1979
TBPAHG10	J. Chem. Soc. Dalton Trans.		253	1978
TBPCFE	J. Organomet. Chem.	107	241	1976
TCACTC	J. Chem. Soc. Dalton Trans.		1837	1977
TCACTC01	Acta Cryst. Sect. B	34	3359	1978
TCATPD	Inorg. Chem.	14	343	1975
TCBPNB	Inorg. Chem.	15	309	1976
TCBPZR	Inorg. Chem.	15	309	1976
TCHXPH10	J. Chem. Soc. Dalton Trans.		1845	1977
TCMIPD10	Acta Cryst. Sect. C	39	186	1983
TCMNET10	Phys. Rev. B	19	306	1979
TCMOFM	Transition Met. Chem.	1	2	1975
TCPDNI01	J. Am. Chem. Soc.	103	1942	1981
TCPMNN10	Inorg. Chem.	13	1037	1974
TCPNIH11	J. Am. Chem. Soc.	101	5631	1979
TCPPHG01	Can. J. Chem.	57	2555	1979
TCTPOS	Inorg. Chem.	8	1078	1969
TCTPPU	Inorg. Chem.	17	394	1978
TCXNTI	J. Chem. Soc. Dalton Trans.		1176	1978
TCYENI10	Finn. Chem. Lett.		71	1977
TCYPSC10	J. Am. Chem. Soc.	95	1488	1973
TCYPTI10	J. Am. Chem. Soc.	93	3592	1971
TDACCD10	Acta Cryst. Sect. B	31	2531	1975
TDCURF	Transition Met. Chem.	4	82	1979
TEPPMN01	Cryst. Struct. Commun.	10	1263	1981
TEPPTB	J. Chem. Soc. Dalton Trans.		1737	1980
TESTHG	Acta Cryst. Sect. B	24	935	1968
TETCPD	J. Am. Chem. Soc.	95	8566	1973
TFMESM	J. Chem. Soc. A		2285	1971
THMPOS01	J. Am. Chem. Soc.	99	7557	1977
THUPDC	Bull. Chem. Soc. Jpn	33	861	1960
TIMCUS	Acta Chem. Scand. Ser. A	28	578	1974
TIOUNB	Inorg. Chem.	8	424	1969
TIUREA01	Inorg. Chem.	9	1111	1970
TLCSCR	Cryst. Struct. Commun.	9	821	1980
TLTZMO	Inorg. Chem.	20	171	1981
TMAFMN	J. Chem. Soc. Dalton Trans.		1512	1979
TMANB01	Acta Cryst. Sect. B	34	1970	1978
TMDPHG	Cryst. Struct. Commun.	6	359	1977
TMENSN	Finn. Chem. Lett.		75	1977
TMPCUB01	J. Am. Chem. Soc.	103	5165	1981
TMPHWE	J. Am. Chem. Soc.	102	1431	1980
TMSCCU	Inorg. Chem.	18	761	1979
TMTCPC	Inorg. Chem.	13	1674	1974
TMTCZN10	J. Chem. Soc. Dalton Trans.		1945	1980
TNBPMN	Can. J. Chem.	50	3332	1972
TOPFCO10	Inorg. Chem.	19	1221	1980
TPACUB	J. Chem. Soc. Chem. Commun.		192	1980
TPCPTW	J. Am. Chem. Soc.	101	7618	1979
TPCUBF	J. Am. Chem. Soc.	101	754	1979
TPCUMZ	J. Am. Chem. Soc.	94	7323	1972
TPCYCU	J. Am. Chem. Soc.	92	2353	1970
TPHCOA	Inorg. Chem.	19	2968	1980
TPHGDI10	Acta Cryst. Sect. B	34	2300	1978
TPICBO	J. Chem. Soc. Chem. Commun.		80	1980
TPMCDB10	J. Chem. Soc. Dalton Trans.		619	1979
TPPMRH10	Inorg. Chem.	19	2726	1980
TPPTCC	J. Am. Chem. Soc.	97	3952	1975
TPPTCP01	J. Chem. Soc. A		2770	1970
TPRUET21	J. Cryst. Mol. Struct.	4	43	1974
TPTHCC	Acta Cryst. Sect. B	33	619	1977
TPYCLV	Cryst. Struct. Commun.	2	421	1973
TPYRPR	Inorg. Chem.	10	1463	1971
TRENCM	Inorg. Chem.	17	457	1978
TROPRH	Inorg. Chim. Acta	42	105	1980
TROPTH	J. Am. Chem. Soc.	92	3626	1970
TROPUE	J. Cryst. Mol. Struct.	3	221	1973
TTHPHG	J. Chem. Soc. Chem. Commun.		140	1979
TTPPDB	Zh. Strukt. Khim.	17	135	1976
TTZZOU10	J. Am. Chem. Soc.	106	93	1984
TUNCPF10	Acta Cryst. Sect. B	30	1357	1974
TURURS01	Inorg. Chem.	19	776	1980
TXPCPD	Inorg. Chem.	17	22	1978
TZTDAG01	Inorg. Chem.	17	49	1978
UCHXOS	J. Chem. Soc. Dalton Trans.		562	1979
UHXAPY10	Inorg. Chem.	15	1827	1976
URCLNI	Acta Cryst. Sect. B	36	2251	1980
URDEAM10	Inorg. Chem.	15	2498	1976
UREAZN	Cryst. Struct. Commun.	1	257	1972
URMSUL	Acta Cryst. Sect. B	34	2302	1978
URSCNI	Kristallografiya	23	1196	1978
URSDUR03	Inorg. Chem.	22	1557	1983
VCPRUA10	J. Chem. Soc. Dalton Trans.		2661	1983
VCPRUB10	J. Chem. Soc. Dalton Trans.		2661	1983
VIBONI	J. Organomet. Chem.	215	255	1981
VPHTHC	J. Chem. Soc. Dalton Trans.		2300	1980
XAXASP	Cryst. Struct. Commun.	7	219	1978
YBAENI	Inorg. Chem.	16	1623	1977
ZEGCET	J. Chem. Soc. Dalton Trans.		1531	1982
ZEGGUN	Inorg. Chem.	22	888	1983
ZEGNOP	J. Am. Chem. Soc.	106	801	1984
ZEGPEG	Inorg. Chim. Acta	82	35	1984
ZNACAT10	Acta Cryst. Sect. B	24	904	1968
ZTANPB	Inorg. Chem.	14	604	1975
ZZZARD01	Acta Cryst. Sect. C	40	781	1984
ZZZCCG10	Acta Cryst. Sect. B	36	1938	1980

References

Allen, F. H., Bellard, S., Brice, M. D., Cartwright, B. A., Doubleday, A., Higgs, H., Hummelink, T., Hummelink-Peters, B. G., Kennard, O., Motherwell, W. D. S., Rodgers, J. R. & Watson, D. G. (1979). The Cambridge Crystallographic Data Centre: computer-based search, retrieval, analysis and display of information. Acta Cryst. B35, 2331–2339.Google Scholar

Bergerhoff, G., Hundt, R., Sievers, R. & Brown, I. D. (1983). The Inorganic Crystal Structure Database. J. Chem. Inf. Comput. Sci. 23, 66–70.Google Scholar

Brown, I. D., Brown, M. C. & Hawthorne, F. C. (1982). BIDICS-1981, Bond index to the determinations of inorganic crystal structures. Institute for Materials Research, Hamilton, Ontario, Canada.Google Scholar

Bruce, M. I. (1981). Comprehensive organometallic chemistry, Vol. 9, pp. 1209–1520. London: Pergamon Press.Google Scholar

Harmony, M. D., Laurie, R. W., Kuczkowski, R. L., Schwendemann, R. H., Ramsay, D. A., Lovas, F. J., Lafferty, W. J. & Maki, A. G. (1979). Molecular structures of gas-phase polyatomic molecules determined by spectroscopic methods. J. Phys. Chem. Ref. Data, 8, 619–721.Google Scholar

Kennard, O. (1962). Tables of bond lengths between carbon and other elements. International tables for X-ray crystallography, Vol. III, pp. 275–276. Birmingham: Kynoch Press.Google Scholar

Kennard, O., Watson, D. G., Allen, F. H., Isaacs, N. W., Motherwell, W. D. S., Pettersen, R. C. & Town, W. G. (1972). Molecular structures and dimensions, Vol. A1. Interatomic distances, 1960–65. Utrecht: Oosthoek.Google Scholar

Murray-Rust, P. & Raftery, J. (1985a). J. Mol. Graphics, 3, 50–59.Google Scholar

Murray-Rust, P. & Raftery, J. (1985b). J. Mol. Graphics, 3, 60–68.Google Scholar

Russell, D. R. (1988). Specialist periodical reports, organometallic chemistry, pp. 427–525. London: Royal Society of Chemistry.Google Scholar

Sutton, L. E. (1958). Tables of interatomic distances and configuration in molecules and ions. Spec. Publ. No. 11. London: Chemical Society.Google Scholar

Sutton, L. E. (1965). Tables of interatomic distances and configuration in molecules and ions. Spec. Publ. No. 18. London: Chemical Society.Google Scholar

Taylor, R. & Kennard, O. (1983). The estimation of average molecular dimensions from crystallographic data. Acta Cryst. B39, 517–525.Google Scholar

Taylor, R. & Kennard, O. (1985). The estimation of average molecular dimensions. 2. Hypothesis testing with weighted and unweighted means. Acta Cryst. A41, 85–89.Google Scholar

Taylor, R. & Kennard, O. (1986). Cambridge Crystallographic Data Centre. 7. Estimating average molecular dimensions from the Cambridge Structural Database. J. Chem. Inf. Comput. Sci. 26, 28–32.Google Scholar

International Tables for Crystallography (2006). Vol. C. ch. 9.6, pp. 812-896
https://doi.org/10.1107/97809553602060000622