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)
|
|
|
|
|
|
|
|
Os2—1Cα
|
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 | |