TABLE S9
Bond lengths (Å) and angles (°) in trans ruthenium(II) S-bonded sulfoxide complexes a
| Lb | L' c | Ru-S | S-O | S-C | Ru-S-O | Ru-S-C | C-S-C | O-S-C | Ref. |
| S | S2Cl2 1 | 2.298(4) | 1.46(1) | 1.81(2) | 119.9(6) | 111.8(6) | 102.6(8) | 105.1(7) | 234 |
| 1.83(2) | 111.1(5) | 104.7(8) | |||||||
| 2 | 2.352(2) | 1.491(5) | 1.780(5) | 112.5(2) | 115.4(2) | 100.3(2) | 106.0(2) | 245 | |
| 2.353(1) | 1.492(4) | 1.800(4) | 112.9(1) | 115.1(1) | 100.5(3) | 106.0(2) | 52 | ||
| 3 | 2.308(2) | 1.489(5) | 1.780(7) | 119.4(2) | 107.2(2) | 98.1(3) | 107.0(3) | 54 | |
| 1.855(7) | 114.3(2) | 108.5(3) | |||||||
| 2.305(2) | 1.495(7) | 1.808(7) | 118.4(3) | 104.1(2) | 101.2(3) | 107.4(4) | |||
| 1.791(6) | 115.0(2) | 108.8(4) | |||||||
| 2.315(2) | 1.466(6) | 1.840(6) | 119.8(2) | 102.0(2) | 106.3(3) | 109.8(3) | |||
| 1.717(7) | 114.3(3) | 103.9(3) | |||||||
| 2.319(2) | 1.453(6) | 1.812(6) | 120.4(3) | 104.6(2) | 100.6(4) | 110.8(4) | |||
| 1.748(8) | 114.4(3) | 104.4(4) | |||||||
| 4 | 2.300(4) | 1.47(1) | 1.911(6) | 120.6(2) | 100.4(2) | 89.3(6) | 114.8(6) | 54 | |
| 1.80(1) | 117.8(4) | 109.2(8) | |||||||
| 2.319(3) | 1.44(1) | 1.747(6) | 118.1(5) | 106.5(2) | 112.1(6) | 99.5(6) | |||
| 1.74(1) | 114.5(6) | 105(1) | |||||||
| 5 | 2.302(1) | 1.476(2) | 1.814(3) | 117.5(1) | 104.2(1) | 102.3(2) | 109.3(1) | 54 | |
| 1.796(3) | 114.8(1) | 107.5(2) | |||||||
| 2.299(1) | 1.478(2) | 1.809(3) | 117.2(1) | 104.4(1) | 102.5(1) | 108.3(1) | |||
| 1.796(3) | 115.4(1) | 107.8(1) | |||||||
| 2.308(1) | 1.473(2) | 1.806(3) | 120.4(1) | 103.0(1) | 102.8(1) | 107.7(1) | |||
| 1.796(3) | 113.4(1) | 107.8(1) | |||||||
| 2.297(1) | 1.482(2) | 1.807(3) | 116.3(1) | 104.8(1) | 101.9(1) | 108.8(1) | |||
| 1.791(3) | 115.9(1) | 107.9(1) | |||||||
| 6 | 2.357(1) | 1.473(2) | 1.794(3) | 116.1(1) | 115.5(1) | 98.9(2) | 105.5(1) | 54 | |
| 1.780(3) | 112.3(1) | 106.7(1) | |||||||
| 2.352(1) | 1.480(2) | 1.789(3) | 116.5(1) | 115.1(1) | 100.6(1) | 104.9(1) | |||
| 1.773(3) | 111.2(1) | 107.1(1) | |||||||
| 7 | 2.350(2) | 1.475(4) | 1.823(6) | 116.5(2) | 111.7(3) | 92.7(2) | 108.4(3) | 55 | |
| 1.821(4) | 118.3(2) | 106.6(2) | |||||||
| 2.359(2) | 1.475(3) | 1.819(4) | 116.2(2) | 111.8(2) | 93.2(2) | 107.5(3) | |||
| 1.806(4) | 117.9(2) | 107.5(2) | |||||||
| 8 | 2.364(1) | 1.467(4) | 1.772(7) | 114.9(2) | 110.5(2) | 100.3(3) | 109.4(3) | 241 | |
| 1.779(6) | 112.5(2) | 108.3(3) | |||||||
| 2.354(1) | 1.460(4) | 1.771(7) | 115.0(2) | 112.4(2) | 101.3(3) | 108.4(3) | |||
| 1.766(7) | 110.3(2) | 108.5(3) | |||||||
| 2.358(1) | 1.463(4) | 1.766(5) | 113.6(2) | 111.4(3) | 101.3(3) | 109.1(3) | |||
| 1.769(6) | 112.3(2) | 108.5(3) | |||||||
| 2.355(1) | 1.476(4) | 1.785(6) | 115.1(2) | 111.9(2) | 99.5(3) | 108.9(3) | |||
| 1.776(6) | 111.5(2) | 108.8(3) | |||||||
| S | S2Br2 9 | 2.321(1) | 1.471(4) | 1.810(7) | 117.4(2) | 112.5(2) | 98.4(3) | 107.2(3) | 252 |
| 1.809(5) | 113.6(2) | 105.9(2) | |||||||
| 2.355(1) | 1.477(2) | 1.797(5) | 118.2(2) | 113.1(2) | 98.3(3) | 106.3(2) | |||
| 1.808(6) | 112.4(2) | 106.6(2) | |||||||
| 10 | 2.335(1) | 1.466(3) | 1.805(3) | 113.3(1) | 118.1(1) | 93.9(2) | 105.5(2) | 54 | |
| 11 | 2.360(1) | 1.484(3) | 1.789(3) | 112.5(1) | 116.0(1) | 99.6(2) | 105.7(1) | 253 | |
| S | N2Cl2 12 | 2.290(1) | 1.479(3) | 1.780(4) | 118.8(1) | 112.9(1) | 99.4(2) | 105.8(2) | 254 |
| 1.773(4) | 111.3(2) | 106.7(2) | |||||||
| S | SOCCl2 13 | 2.314(3) | 1.48(1) | 1.77(2) | 113.4(5) | 110.5(7) | 102(1) | 108.5(9) | 241 |
| 1.74(2) | 115.0(7) | 106.4(8) | |||||||
| 2.339(3) | 1.49(1) | 1.78(2) | 117.1(4) | 112.5(6) | 99.4(8) | 107.2(8) | |||
| 1.77(2) | 109.7(6) | 109.4(7) | |||||||
| 2.337(3) | 1.45(1) | 1.73(2) | 116.6(4) | 111.4(5) | 100(1) | 107.0(9) | |||
| 1.73(2) | 115.0(6) | 105.3(7) | |||||||
| 2.334(3) | 1.48(1) | 1.77(2) | 115.4(4) | 110.7(5) | 100.5(8) | 107.2(7) | |||
| 1.78(2) | 114.5(5) | 107.3(6) |
__________________________________________________________________________________________
| n | 30 | 30 | 46 | 30 | 56 | 27 | 56 |
| s | 0.024 | 0.013 | 0.031 | 2.5 | 4.2 | 3.6 | 2.1 |
| <x>s | 2.330 | 1.475 | 1.794 | 116.7 | 111.8 | 100.7 | 107.3 |
| s<x>s | 0.004 | 0.002 | 0.005 | 0.4 | 0.6 | 0.7 | 0.3 |
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.
1 trans-RuCl2(DTCSO)2. 2 trans-RuCl2(DMSO)4. 3 trans-RuCl2(BMSE)2. 4 trans-RuCl2(BPSE)2. 5 cis-RuCl2(BESE)2. 6 cis-RuCl2(BMSP)2. 7 cis-RuCl2(TMSO)4. 8 cis,trans,cis-RuCl2(DMSO)2(CO)2. 9 cis-RuBr2(tetrahydrothiophene)(EPSS). 10 trans-RuBr2(TMSO)4. 11 trans-RuBr2(DMSO)4. 12 trans-RuCl2(DMSO)2(imidazole)2. 13 trans,trans,trans-RuCl2(DMSO)2(DMSO)(CO).
