TABLE S8
Bond lengths (Å) and angles (°) in ruthenium(II) non-trans S-bonded sulfoxide complexes a
L b | L' c | Ru-S | S-O | S-C | Ru-S-O | Ru-S-C | C-S-C | O-S-C | Ref. |
N d | N4 1 | 2.188(3) | 1.512(7) | 1.82(1) | 114.9(3) | 114.8(4) | 99.4(6) | 105.0(5) | 230 |
1.81(1) | 117.4(4) | 103.4(4) | |||||||
2 | 2.212(1) | 1.497(5) | 1.800(8) | 118.8(2) | 114.2(3) | 98.3(4) | 104.8(4) | 231 | |
1.798(7) | 113.4(3) | 105.1(4) | |||||||
3 | 2.257(3) | 1.479(7) | 1.78(1) | 112.9(3) | 115.5(4) | 100.6(6) | 106.5(5) | 232 | |
1.77(1) | 113.9(4) | 106.3(5) | |||||||
Cl d | P2Cl2 4 | 2.244(1) | 1.474(3) | 1.788(5) | 120.8(1) | 112.6(2) | 97.5(3) | 105.6(2) | 233 |
1.792(5) | 112.7(2) | 104.9(2) | |||||||
S4 5 | 2.269(2) | 1.45(2) | 1.827(9) | 118.4(7) | 111.3(3) | 101.1(4) | 110.4(8) | 234 | |
1.804(9) | 111.6(3) | 102.4(8) | |||||||
C d | PC3 6 | 2.324(2) | 1.475(7) | 1.79(1) | 116.9(3) | 108.1(4) | 102.8(5) | 106.9(4) | 235 |
1.87(1) | 115.9(3) | 102.5(5) | |||||||
P d | PCCl2 7 | 2.380(2) | 1.479(3) | 1.783(5) | 113.3(1) | 114.6(2) | 99.1(3) | 107.3(2) | 236 |
1.780(6) | 112.9(2) | 108.6(3) | |||||||
Cl e | SCl3 8 | 2.225(1) | 1.474(3) | 1.779(4) | 118.6(1) | 109.1(1) | 98.8(2) | 106.3(2) | 237 |
1.782(4) | 115.0(1) | 107.1(2) | |||||||
2.228(1) | 1.479(3) | 1.770(4) | 120.2(1) | 111.1(1) | 98.8(2) | 107.2(2) | |||
1.776(4) | 111.6(1) | 105.7(2) | |||||||
S3Cl 9 | 2.239(3) | 1.485(8) | 1.80(1) | 120.1(3) | 110.3(4) | 98.7(6) | 102.7(5) | 234 | |
1.81(1) | 114.2(4) | 108.1(6) | |||||||
SN2Cl 10 | 2.244(1) | 1.470(3) | 1.784(3) | 120.5(1) | 113.4(1) | 96.8(2) | 106.5(2) | 238 | |
1.786(4) | 111.1(1) | 105.7(2) | |||||||
11 | 2.254(1) | 1.478(2) | 1.781(4) | 120.2(1) | 111.1(1) | 98.9(2) | 105.3(1) | 239 | |
1.782(3) | 113.7(1) | 105.3(1) | |||||||
12 | 2.265(1) | 1.477(2) | 1.786(3) | 117.7(1) | 111.7(1) | 97.3(2) | 105.7(2) | 240 | |
1.780(3) | 107.1(1) | ||||||||
2.262(1) | 1.474(2) | 1.784(3) | 119.0(1) | 113.0(1) | 98.1(2) | 107.4(2) | |||
1.785(3) | 112.0(1) | 105.2(2) | |||||||
SOClC 13 | 2.279(2) | 1.469(4) | 1.773(8) | 116.6(2) | 111.0(3) | 100.1(4) | 108.3(3) | 241 | |
1.777(8) | 113.4(2) | 106.2(3) | |||||||
2.297(2) | 1.461(5) | 1.767(8) | 117.4(2) | 111.6(2) | 97.9(4) | 107.3(3) | |||
1.781(6) | 112.5(2) | 108.4(3) | |||||||
2.278(2) | 1.464(4) | 1.784(8) | 117.5(2) | 112.2(2) | 100.6(4) | 106.8(3) | |||
1.781(8) | 110.5(3) | 107.8(3) | |||||||
2.303(2) | 1.469(5) | 1.774(6) | 117.1(2) | 111.9(3) | 98.5(4) | 108.1(3) | |||
1.764(8) | 112.3(2) | 107.2(3) | |||||||
Br e | S3Br 14 | 2.235(2) | 1.481(6) | 1.795(8) | 119.5(3) | 109.9(3) | 98.3(4) | 107.0(4) | 242 |
1.805(9) | 113.3(3) | 106.5(4) | |||||||
2.275(2) | 1.463(6) | 1.779(8) | 117.4(3) | 114.2(3) | 97.1(4) | 106.1(4) | |||
1.77(1) | 112.8(4) | 107.1(5) | |||||||
N e | SNCl2 10 | 2.243(1) | 1.474(3) | 1.773(4) | 120.1(1) | 111.8(1) | 98.8(2) | 104.9(2) | 238 |
1.781(4) | 112.1(2) | 106.8(2) | |||||||
11 | 2.258(1) | 1.479(2) | 1.783(3) | 117.3(1) | 113.7(1) | 98.4(2) | 106.4(1) | 239 | |
1.781(3) | 113.8(1) | 105.3(1) | |||||||
15 | 2.235(1) | 1.484(3) | 1.790(4) | 117.2(1) | 111.0(1) | 98.8(2) | 106.2(2) | 240 | |
1.789(4) | 116.6(2) | 105.0(2) | |||||||
2.267(1) | 1.483(2) | 1.788(4) | 114.5(1) | 115.5(1) | 98.2(2) | 105.4(2) | |||
1.779(4) | 115.5(1) | 105.9(2) | |||||||
16 | 2.235(1) | 1.508(3) | 1.781(3) | 114.6(1) | 115.0(2) | 99.8(1) | 105.6(1) | 243 | |
1.779(3) | 114.6(1) | 105.7(1) | |||||||
2.247(1) | 1.492(2) | 1.781(4) | 119.6(1) | 112.5(1) | 98.3(2) | 105.5(2) | |||
1.788(3) | 113.5(1) | 105.0(2) | |||||||
17 | 2.257(1) | * | * | * | * | * | * | 244 | |
2.267(1) | * | * | * | * | * | * | |||
SN2Cl2 18 | 2.261(1) | 1.474(3) | 1.778(3) | 115.8(1) | 113.9(1) | 98.6(2) | 105.6(2) | 240 | |
1.781(4) | 114.7(1) | 106.5(2) | |||||||
2.240(1) | 1.477(3) | 1.783(4) | 119.4(1) | 114.7(1) | 98.4(2) | 105.8(2) | |||
1.780(4) | 110.8(1) | 105.4(2) | |||||||
O f | S2Cl2 19 | 2.245(1) | 1.469(3) | 1.781(6) | 119.0(2) | 115.1(2) | 98.1(3) | 105.8(2) | 245 |
1.791(6) | 111.0(2) | 105.4(3) | |||||||
2.248(2) | 1.473(7) | 1.79(1) | 119.5(3) | 112.9(3) | 101.9(5) | 106.3(4) | 246 | ||
1.90(1) | 110.0(4) | 104.4(5) | |||||||
2.252(1) | 1.483(5) | 1.808(6) | 120.9(2) | 112.6(2) | 98.6(3) | 106.3(3) | 247 | ||
1.779(8) | 110.0(2) | 106.0(4) | |||||||
S2Br2 20 | 2.253(2) | 1.471(5) | 1.796(9) | 118.5(3) | 115.0(4) | 99.0(4) | 105.5(4) | 245 | |
1.81(1) | 112.1(3) | 106.1(4) | |||||||
S2O2 21 | 2.237(3) | 1.475(7) | 1.77(1) | 118.8(3) | 111.1(4) | 100.0(6) | 106.4(5) | 248 | |
1.77(1) | 112.3(4) | 106.5(5) | |||||||
2.260(3) | 1.492(7) | 1.76(1) | 113.0(3) | 111.8(4) | 99.4(5) | 107.9(5) | |||
1.77(1) | 117.5(4) | 106.1(5) | |||||||
2.260(3) | 1.479(7) | 1.77(1) | 112.7(3) | 111.1(4) | 98.2(6) | 106.5(5) | |||
1.78(1) | 120.3(4) | 106.5(5) | |||||||
Cl f | S2NCl 22 | 2.246(1) | 1.486(2) | 1.781(3) | 117.5(1) | 115.6(1) | 98.7(1) | 106.1(1) | 243 |
1.790(3) | 110.6(1) | 106.4(1) | |||||||
2.277(1) | 1.491(2) | 1.784(2) | 113.0(1) | 114.9(1) | 97.7(2) | 106.6(1) | |||
1.788(2) | 116.7(1) | 106.4(2) | |||||||
23 | 2.281(2) | * | * | 116.4(4) | 115.7(5) | * | 107.2(5) | 244 | |
2.286(3) | * | * | 117.7(5) | 113.2(4) | 96.6(6) | 105.5(6) | |||
S2Cl2 24 | 2.256(4) | 1.48(1) | 1.79(2) | 118.9(6) | 111.8(8) | 103(1) | 104.4(9) | 249 | |
1.86(2) | 112.8(7) | 104.6(9) | |||||||
2.261(5) | 1.49(1) | 1.80(2) | 119.8(5) | 113.0(7) | 101(1) | 105.3(8) | |||
1.81(2) | 111.1(8) | 105(1) | |||||||
2.252(4) | 1.50(1) | 1.78(2) | 115.7(5) | 112.7(8) | 100(1) | 107(1) | |||
1.80(2) | 113.8(7) | 107.1(9) | |||||||
2.267(4) | 1.47(1) | 1.77(2) | 118.1(6) | 112.6(6) | 99(1) | 108(1) | |||
1.81(2) | 111.4(7) | 106(1) | |||||||
2.273(5) | 1.47(2) | 1.80(2) | 118.2(7) | 110(1) | 98(1) | 109(1) | |||
1.75(2) | 114.8(8) | 105(1) | |||||||
2.260(5) | 1.45(2) | 1.78(3) | 118.2(7) | 115(1) | 98(1) | 104(1) | |||
1.76(3) | 110(1) | 110(1) | |||||||
8 | 2.266(1) | 1.470(3) | 1.775(4) | 119.0(1) | 111.3(1) | 99.6(2) | 106.6(2) | 237 | |
1.778(4) | 112.0(1) | 106.4(2) | |||||||
2.268(1) | 1.467(3) | 1.776(4) | 118.3(1) | 110.6(1) | 99.4(2) | 107.1(2) | |||
1.788(4) | 112.7(1) | 107.1(2) | |||||||
2.270(1) | 1.472(2) | 1.784(3) | 119.3(1) | 110.5(1) | 99.3(2) | 106.1(2) | |||
1.776(4) | 112.8(1) | 106.8(2) | |||||||
S2OCl 19 | 2.277(1) | 1.485(5) | 1.795(7) | 117.7(2) | 112.7(2) | 97.5(3) | 107.7(4) | 247 | |
1.783(6) | 112.2(2) | 106.9(3) | |||||||
2.276(1) | 1.485(5) | 1.787(6) | 120.1(2) | 109.6(2) | 100.1(3) | 106.3(3) | |||
1.794(6) | 112.3(2) | 106.4(3) | |||||||
2.274(1) | 1.479(3) | 1.775(5) | 119.2(2) | 114.9(2) | 98.6(3) | 105.2(2) | 245 | ||
1.787(6) | 110.6(2) | 106.0(2) | |||||||
2.284(1) | 1.461(5) | 1.780(6) | 115.2(1) | 114.8(2) | 97.5(3) | 106.1(3) | |||
1.789(5) | 115.0(2) | 106.4(3) | |||||||
2.279(2) | 1.472(7) | 1.79(1) | 120.3(3) | 111.5(3) | 97.9(5) | 106.7(4) | 246 | ||
1.779(9) | 111.5(3) | 106.6(4) | |||||||
2.269(2) | 1.489(6) | 1.787(9) | 119.6(2) | 110.1(3) | 98.4(4) | 106.6(4) | |||
1.785(9) | 113.1(3) | 106.8(4) | |||||||
Br f | S2Br2 25 | 2.23(1) | 1.50(2) | 1.83(4) | 115(1) | 113(1) | 96(2) | 109(1) | 250 |
1.82(4) | 116(1) | 105(1) | |||||||
2.283(7) | 1.45(3) | 1.76(4) | 119(1) | 115(1) | 99(2) | 104(2) | |||
1.81(3) | 110(1) | 109(1) | |||||||
2.279(9) | 1.48(2) | 1.78(5) | 119(1) | 113(1) | 98(2) | 104(2) | |||
1.79(3) | 114(1) | 107(1) | |||||||
S2OBr 20 | 2.289(2) | 1.487(5) | 1.780(8) | 118.8(3) | 115.8(4) | 99.0(4) | 104.8(4) | 245 | |
1.79(1) | 110.4(3) | 105.9(4) | |||||||
2.301(2) | 1.466(8) | 1.77(1) | 114.4(2) | 116.5(3) | 96.9(4) | 105.0(4) | |||
1.792(9) | 115.4(3) | 106.7(4) | |||||||
N f | S2Cl2 22 | 2.288(1) | 1.493(2) | 1.782(3) | 119.1(1) | 113.8(1) | 99.1(1) | 106.7(1) | 243 |
1.793(3) | 109.9(1) | 106.2(1) | |||||||
23 | 2.310(2) | * | * | * | * | * | * | 244 | |
Cl g | S3Cl 26 | 2.272(1) | 1.476(3) | 1.810(5) | 116.3(1) | 114.8(2) | 93.4(3) | 105.8(3) | 55 |
1.810(5) | 117.8(1) | 105.9(2) | |||||||
2.273(1) | 1.478(3) | 1.805(5) | 116.0(1) | 115.0(2) | 93.3(3) | 105.6(2) | |||
1.812(5) | 118.1(1) | 106.1(2) | |||||||
2.274(1) | 1.475(3) | 1.807(4) | 116.2(1) | 114.7(1) | 93.2(3) | 105.9(2) | 251 | ||
1.811(4) | 117.7(1) | 106.3(2) | |||||||
2.274(1) | 1.478(3) | 1.818(4) | 116.0(1) | 114.8(1) | 92.9(3) | 106.4(2) | |||
1.819(4) | 117.9(1) | 106.0(2) | |||||||
2.276(1) | 1.479(3) | 1.807(4) | 115.8(1) | 114.8(1) | 93.2(3) | 105.7(2) | |||
1.812(4) | 118.1(1) | 106.5(2) | |||||||
27 | 2.270(1) | 1.479(2) | 1.806(3) | 119.5(1) | 105.0(1) | 102.2(2) | 107.3(1) | 54 | |
1.808(3) | 114.4(1) | 106.9(1) | |||||||
2.264(1) | 1.470(2) | 1.814(3) | 118.9(1) | 104.8(1) | 102.7(1) | 107.4(1) | |||
1.796(3) | 115.3(1) | 106.3(1) | |||||||
2.274(1) | 1.480(2) | 1.808(3) | 118.8(1) | 104.7(1) | 101.7(1) | 107.6(1) | |||
1.802(3) | 115.8(1) | 101.7(1) | |||||||
2.271(1) | 1.473(2) | 1.807(3) | 119.2(1) | 104.1(1) | 100.0(1) | 107.6(1) | |||
1.802(3) | 117.3(1) | 106.6(1) | |||||||
28 | 2.271(1) | 1.476(2) | 1.801(3) | 115.1(1) | 115.3(1) | 99.3(1) | 105.9(1) | 54 | |
1.780(3) | 113.3(1) | 106.4(1) | |||||||
2.268(1) | 1.480(2) | 1.796(3) | 113.9(1) | 115.8(1) | 99.9(1) | 105.5(1) | |||
1.780(3) | 113.6(1) | 106.8(1) |
______________________________________________________________________________________
n | 74 | 63 | 120 | 71 | 139 | 67 | 138 |
s | 0.026 | 0.010 | 0.019 | 2.2 | 2.6 | 2.1 | 1.3 |
<x>s | 2.265 | 1.478 | 1.790 | 117.6 | 113.1 | 98.6 | 106.2 |
s(<x>s) | 0.003 | 0.001 | 0.002 | 0.3 | 0.2 | 0.3 | 0.1 |
a Figures in italics are not included in the calculation of the mean, referring to TMSO. b Ligand trans to S-bonded sulfoxide. c Other donor atoms. d One S-bonded sulfoxide per metal atom. e Two cis S-bonded sulfoxides per metal atom. f Three fac S-bonded sulfoxides per metal atom. g Four S-bonded sulfoxides per metal atom.
* Data not available.
1 [Ru(DMSO)(NH3)5](PF6)2. 2 [Ru(pyrazolyl)2(pyrazole)3(DMSO). 3 [trans-Ru(2,2'-bipyridine)2(4-Et-py)(DMSO)](PF6)2·0.5DMF. 4 [Ru2Cl4(diphenylbutanediphosphine)2(DMSO)]·0.76Et2O·0.33CH2Cl2. 5 [RuCl (tetrahydrothiophene)(1,5-dithiacyclooctane)(DTCSO)(BPh4). 6 [(Cp)Ru(CO)(PPh3)(tBMSO)][SbF6]·MeOH. 7 cis-RuCl2(DMSO)(CO)(o-phenylenebis{methyl(phenyl)phosphine)}. 8 Ru2Cl4(DMSO)5. 9 trans-RuCl2(DTCSO)2. 10 cis-RuCl2(DMSO)2(trimethylbenzimidazole)2. 11 cis-RuCl2(DMSO)2 (trimethyl benzimidazole)(pyridine). 12 cis-RuCl2(DMSO)2(3,5-lutidine)2. 13 cis,cis,trans-RuCl2(DMSO)2(DMSO)(CO). 14 cis-RuBr2(DMSO)(ETPSO). 15 trans,cis,cis-RuCl2(DMSO)2(benzimidazole)2. 16 trans,cis,cis-RuCl2(DMSO)2(NH3)2. 17 [trans,cis-RuCl2(pyrazole)2(DMSO)2. 18 trans,cis,cis-RuCl2(DMSO)2(trimethyl benzimidazole)2. 19 cis-RuCl2(DMSO)3(DMSO). 20 cis-RuBr2(DMSO)3 (DMSO). 21 [fac-Ru(DMSO)3(DMSO)3][BF4]. 22 cis,fac-RuCl2(DMSO)3(NH3). 23 [cis,fac-RuCl2(DMSO)3(pyrazole)]. 24 [NH2Me2][fac-RuCl3(DMSO)3]. 25 [NEt4][fac-RuBr3(DMSO)3]·0.5MeOH. 26 cis-RuCl2(TMSO)4. 27 cis-RuCl2(BESE)2. 28 cis-RuCl2(BMSP)2.