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Typical interatomic distances: organic compounds
Allen, F. H., Watson, D. G., Brammer, L., Orpen, A. G. and Taylor, R.  International Tables for Crystallography (2006). Vol. C, ch. 9.5, pp. 790-811 [ doi:10.1107/97809553602060000621 ]
... results obtained by diffraction and spectroscopic methods prior to 1956; a supplementary volume (Sutton, 1965) extended this coverage to 1959. Summary ... Watson, Allen, Isaacs, Motherwell, Pettersen & Town, 1972). More recently, a survey of geometries determined by spectroscopic methods (Harmony, Laurie, Kuczkowski ... crystal structures. This machine-readable file fulfils the function of a comprehensive structure-by-structure compendium of molecular geometries. However, ...

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. and Taylor, R.  International Tables for Crystallography (2006). Vol. C, ch. 9.6, pp. 812-896 [ doi:10.1107/97809553602060000622 ]
... Vol. 3, pp. 699-969. London: Pergamon Press. (8) D. A. Buckingham & C. R. Clark (1987). Comprehensive coordination chemistry, Vol. ... 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. ( ...

Discussion
Orpen, A. G., Brammer, L., Allen, F. H., Watson, D. G. and Taylor, R.  International Tables for Crystallography (2006). Vol. C, Section 9.6.4, pp. 818-884 [ doi:10.1107/97809553602060000622 ]
... Table 9.6.3.3 has been derived from the CSD, and, as a result, does not contain every precisely determined metal-ligand interatomic ... Hundt, Sievers & Brown, 1983). The tabulation given here is a first attempt to obtain average dimensions for (d- and f ... have lower force constants, than the intraligand bonds, leading to a broader distribution of distances whatever the cause of variation. ...

Use of the `Note' column
Orpen, A. G., Brammer, L., Allen, F. H., Watson, D. G. and Taylor, R.  International Tables for Crystallography (2006). Vol. C, Section 9.6.3.3, pp. 817-818 [ doi:10.1107/97809553602060000622 ]
... collected in Appendix 9.6.1. These record additional information as follows: (a) notable features of the distribution of distances, e.g. likely bias ... particular trans ligands; (c) details of exclusion criteria used for a given entry or group of entries, such as the constraint ...
     [more results from section 9.6.3 in volume C]

Statistics
Orpen, A. G., Brammer, L., Allen, F. H., Watson, D. G. and Taylor, R.  International Tables for Crystallography (2006). Vol. C, Section 9.6.2.4, pp. 813-814 [ doi:10.1107/97809553602060000622 ]
... Statistics Where there are less than four independent observations of a given bond length, then each individual observation is given explicitly ... and is the ith observation of the bond length in a total sample of n observations. Recent work (Taylor & Kennard, 1983 ... to the weighted mean, where the ith observation is assigned a weight equal to 1/var(di). This is ...
     [more results from section 9.6.2 in volume C]

Introduction
Orpen, A. G., Brammer, L., Allen, F. H., Watson, D. G. and Taylor, R.  International Tables for Crystallography (2006). Vol. C, Section 9.6.1, p. 812 [ doi:10.1107/97809553602060000622 ]
... results obtained by diffraction and spectroscopic methods prior to 1956; a supplementary volume (Sutton, 1965) extended this coverage to 1959. Summary ... Watson, Allen, Isaacs, Motherwell, Pettersen & Town, 1972). More recently, a survey of geometries determined by spectroscopic methods (Harmony, Laurie, Kuczkowski ... 1979) has extended coverage in this area to mid-1977. A notable compendium of structural data, without geometric information, was ...

Typical interatomic distances: organic compounds
Allen, F. H., Watson, D. G., Brammer, L., Orpen, A. G. and Taylor, R.  International Tables for Crystallography (2006). Vol. C, ch. 9.5, pp. 790-811 [ doi:10.1107/97809553602060000621 ]
... Inorg. Chem. 20 3071 1981 BARRIV Acta Chem. Scand. Ser. A 35 433 1981 BAWFUA Cryst. Struct. Commun. 10 1345 1981 ... Chem. Soc. 104 1683 1982 BETUTE10 Acta Chem. Scand. Ser. A 30 719 1976 BIBLAZ Zh. Strukt. Khim. 22 118-4 ... Allg. Chem. 493 53 1982 BOJPUL Acta Chem. Scand. Ser. A 36 829 1982 BOPFER Chem. Ber. 116 146 1983 ...

Typical interatomic distances: organic compounds
Allen, F. H., Watson, D. G., Brammer, L., Orpen, A. G. and Taylor, R.  International Tables for Crystallography (2006). Vol. C, ch. 9.5, pp. 790-811 [ doi:10.1107/97809553602060000621 ]
... Bsp2 and Nsp2 coplanar ([tau]BN = 0 ± 15°) predominates. See G. Schmidt, R. Boese & D. Bläser [Z. Naturforsch. Teil B ... individual values depend on substituents on B and O. For a discussion of borinic acid adducts, see S. J. Rettig & J. ... the nine subgroups is 1.538 ([sigma] = 0.022)Å. (7)See (a) F. H. Allen [Acta Cryst. (1980), B36, 81-96] ...

Discussion
Allen, F. H., Watson, D. G., Brammer, L., Orpen, A. G. and Taylor, R.  International Tables for Crystallography (2006). Vol. C, Section 9.5.4, p. 794 [ doi:10.1107/97809553602060000621 ]
... from the organic section of CSD. We are aware that a number of organic bond types which occur very frequently in ... Inorganic Crystal Structure Database (Bergerhoff, Hundt, Sievers & Brown, 1983) for a machine-readable compendium of more relevant structural data. The tabulation given here represents the first stage in a major project designed to obtain the average geometries of ...

Use of the `Note' column
Allen, F. H., Watson, D. G., Brammer, L., Orpen, A. G. and Taylor, R.  International Tables for Crystallography (2006). Vol. C, Section 9.5.3.3, pp. 793-794 [ doi:10.1107/97809553602060000621 ]
... collected in Appendix 9.5.1. These record additional information as follows: (a) additional details concerning the chemical definition of substructures, e.g. the ... N, torsional constraints in conjugated systems; (c) any peculiarities of a particular bond-length distribution, e.g. sample dominated by C* = methyl ...
     [more results from section 9.5.3 in volume C]

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