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.


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