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

International Tables for Crystallography (2006). Vol. C. ch. 9.6, pp. 818-883

Table 9.6.3.3 

A. G. Orpen,a L. Brammer,b F. H. Allen,c D. G. Watsonc and R. Taylorc

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

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

Bond Substructure (coordination number, oxidation state, comment) d m σ ql qu 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 ql qu 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 ql qu 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 ql qu 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 ql qu 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 ql qu 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, η1′-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 ql qu 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 ql qu 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 ql qu 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 ql qu n Note
3.1.1.1 Carbide (μ4-C) 34, 35
Hg—C see FAHGME (2.042)              

Bond Substructure (coordination number, oxidation state, comment) d m σ ql qu 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 ql qu 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 ql qu 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 ql qu 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 ql qu n Note
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 ql qu n Note
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 ql qu 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 ql qu 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 ql qu n Note
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 ql qu 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 ql qu 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 ql qu 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 ql qu 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 ql qu 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 ql qu n Note
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 ql qu 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 ql qu 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 ql qu 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 ql qu n Note
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 ql qu n Note
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) d m σ ql qu n 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 ql qu 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 ql qu 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 ql qu 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 ql qu 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 ql qu 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 Substructure (coordination number, oxidation state, comment) d m σ ql qu n Note
3.10.1.2 Vinyls (η2-CRCR2)§  
Cα—Cβ   1.408 1.407 0.013 1.418 1.442 8  
Mo—Cα   1.936 1.937 0.020 1.917 1.954 4  
—Cβ   2.292 2.293 0.027 2.265 2.316 4  
W—Cα   1.918 1.907 0.030 1.898 1.949 4  
—Cβ   2.251 2.249 0.078 2.181 2.324 4  

Bond Substructure (coordination number, oxidation state, comment) d m σ ql qu n Note
3.10.1.3 Vinyls (μ2-η1, η2-CRCR2)§ 39
Cα—Cβ   1.408 1.407 0.022 1.395 1.421 43  
Mn1—Cα see BOWYOB (2.058, 2.053)              
Mn2—Cα see BOWYOB (2.086, 2.102)              
—Cβ see BOWYOB (2.263, 2.263)              
Fel—Cα   1.996 2.004 0.036 2.000 2.009 8  
Fe2—Cα   2.102 2.095 0.039 2.079 2.111 8  
Fe2—Cβ   2.219 2.197 0.046 2.183 2.260 8  
Co1—Cα see BOCCOC (1.973, 1.968), BULYOW (1.981)              
Co2—Cα see BOCCOC (2.009, 2.011), BULYOW (1.995)              
—Cβ see BOCCOC (2.132, 2.115), BULYOW (2.127)              
Mo1—Cα see BEDDAP (2.151, 2.140), CAMKIK (2.141)              
Mo2—Cα see BEDDAP (2.181, 2.181), CAMKIK (2.232)              
—Cβ see BEDDAP (2.301, 2.301), CAMKIK (2.446)              
Ru1—Cα   2.079 2.075 0.043 2.060 2.089 13  
Ru2—Cα   2.221 2.227 0.057 2.191 2.260 13  
—Cβ   2.276 2.276 0.042 2.247 2.284 13  
Rh1—Cα see BATNIT (2.045), FMPENR (2.025, 2.028)              
Rh2—Cα see BATNIT (2.100), FMPENR (2.058, 2.102)              
—Cβ see BATNIT (2.222), FMPENR (2.139, 2.205)              
W1—Cα (6, 7), (0, II, IV): all 2.158 2.145 0.043 2.128 2.203 6  
W2—Cα (6), (IV): excluding 2.266, 2.124 2.412 2.412 0.034 2.380 2.445 4  
—Cβ (6), (II, IV): excluding 1 at 2.220 2.458 2.470 0.047 2.410 2.500 5  
Re1—Cα see COTFAS (2.170, 2.098)              
Re2—Cα see COTFAS (2.359, 2.255)              
—Cβ see COTFAS (2.352, 2.307)              
Os21Cα see CHVINO (2.108), HPETOS (2.154), UCHXOS (2.170)              
Os2—Cα see CHVINO (2.273), HPETOS (2.151), UCHXOS (2.188)              
—Cβ see CHVINO (2.362), HPETOS (2.300), UCHXOS (2.311)              

Bond Substructure (coordination number, oxidation state, comment) d m σ ql qu n Note
3.11.1.1 σ-Aryls (η1-Ar)§  
Cl—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 ql qu n Note
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 ql qu n Note
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 ql qu 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 ql qu 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 ql qu 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 ql qu 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