| Literature DB >> 21588546 |
Omar Bin Shawkataly, Imthyaz Ahmed Khan, Siti Syaida Sirat, Chin Sing Yeap, Hoong-Kun Fun.
Abstract
The asymmetric unit of the title triangulo-triruthenium compound, 2[Ru(3)(C(21)H(21)AsS(3))(C(25)H(22)P(2))(CO)(9)]·CH(2)Cl(2), consists of one triangulo-triruthenium complex mol-ecule and one half of a dichloro-methane mol-ecule which lies across a crystallographic inversion center, leading to the disorder of this mol-ecule over two positions of equal occupancy. The bis-(diphenyl-phosphino)methane ligand bridges an Ru-Ru bond and the monodentate arsine ligand bonds to the third Ru atom. Both the arsine and phosphine ligands are equatorial with respect to the Ru(3) triangle. Each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three arsine-substituted benzene rings make dihedral angles of 82.69 (9), 70.43 (9) and 89.45 (9)° with each other. The dihedral angles between the two benzene rings are 85.14 (11) and 77.61 (10)° for the two diphenyl-phosphino groups. In the crystal packing, mol-ecules are linked together into dimers via inter-molecular C-H⋯O hydrogen bonds and these dimers are stacked along the a axis. Weak inter-molecular C-H⋯π inter-actions are also present.Entities:
Year: 2010 PMID: 21588546 PMCID: PMC3008007 DOI: 10.1107/S160053681003093X
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| 2[Ru3(C21H21AsS3)(C25H22P2)(CO)9]·CH2Cl2 | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 9102 reflections | |
| θ = 2.3–34.9° | |
| µ = 1.70 mm−1 | |
| α = 94.539 (1)° | |
| β = 98.228 (1)° | Block, purple |
| γ = 103.212 (1)° | 0.36 × 0.31 × 0.15 mm |
| Bruker SMART APEXII CCD area-detector diffractometer | 24183 independent reflections |
| Radiation source: fine-focus sealed tube | 20753 reflections with |
| graphite | |
| φ and ω scans | θmax = 35.2°, θmin = 1.7° |
| Absorption correction: multi-scan ( | |
| 305620 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 24183 reflections | (Δ/σ)max = 0.005 |
| 679 parameters | Δρmax = 1.50 e Å−3 |
| 0 restraints | Δρmin = −1.34 e Å−3 |
| Experimental. The crystal was placed in the cold stream of an Oxford Cryosystems Cobra open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K. |
| Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
| Refinement. Refinement of |
| Occ. (<1) | |||||
| Ru1 | 0.789717 (12) | 1.074563 (10) | 0.230124 (6) | 0.01282 (2) | |
| Ru2 | 0.955747 (12) | 1.014066 (10) | 0.331223 (6) | 0.01201 (2) | |
| Ru3 | 0.732672 (12) | 0.856245 (10) | 0.269877 (6) | 0.01296 (2) | |
| As1 | 0.515421 (16) | 0.749783 (13) | 0.220967 (8) | 0.01364 (3) | |
| P1 | 0.87864 (4) | 1.26009 (3) | 0.26392 (2) | 0.01301 (7) | |
| P2 | 1.10728 (4) | 1.17749 (3) | 0.33137 (2) | 0.01262 (7) | |
| S1 | 0.14677 (5) | 0.91123 (5) | −0.00329 (2) | 0.02511 (9) | |
| S2 | 0.53088 (5) | 0.31201 (4) | 0.03880 (2) | 0.02334 (9) | |
| S3 | 0.17287 (5) | 0.55384 (4) | 0.43536 (2) | 0.02273 (9) | |
| O1 | 0.99444 (14) | 1.04100 (12) | 0.14713 (7) | 0.0213 (2) | |
| O2 | 0.61722 (15) | 1.10054 (13) | 0.10736 (8) | 0.0279 (3) | |
| O3 | 0.56621 (14) | 1.07036 (13) | 0.30652 (8) | 0.0258 (3) | |
| O4 | 0.80979 (13) | 1.13552 (12) | 0.41588 (7) | 0.0218 (3) | |
| O5 | 1.06190 (17) | 0.91808 (14) | 0.44992 (8) | 0.0303 (3) | |
| O6 | 1.07660 (14) | 0.86993 (12) | 0.24560 (7) | 0.0240 (3) | |
| O7 | 0.82395 (15) | 0.81171 (12) | 0.14058 (7) | 0.0254 (3) | |
| O8 | 0.85901 (15) | 0.68341 (12) | 0.32256 (8) | 0.0260 (3) | |
| O9 | 0.63093 (15) | 0.90166 (12) | 0.39677 (7) | 0.0247 (3) | |
| C1 | 0.92078 (17) | 1.35527 (14) | 0.20399 (9) | 0.0167 (3) | |
| C2 | 0.96341 (19) | 1.46840 (15) | 0.22417 (10) | 0.0225 (3) | |
| H2A | 0.9733 | 1.4940 | 0.2679 | 0.027* | |
| C3 | 0.9908 (2) | 1.54212 (17) | 0.17939 (12) | 0.0316 (5) | |
| H3A | 1.0196 | 1.6168 | 0.1932 | 0.038* | |
| C4 | 0.9752 (3) | 1.50426 (19) | 0.11383 (13) | 0.0355 (5) | |
| H4A | 0.9941 | 1.5536 | 0.0838 | 0.043* | |
| C5 | 0.9316 (2) | 1.39300 (19) | 0.09312 (11) | 0.0308 (4) | |
| H5A | 0.9198 | 1.3681 | 0.0492 | 0.037* | |
| C6 | 0.9052 (2) | 1.31822 (16) | 0.13816 (9) | 0.0215 (3) | |
| H6A | 0.8773 | 1.2436 | 0.1242 | 0.026* | |
| C7 | 0.77484 (16) | 1.33157 (13) | 0.30306 (8) | 0.0155 (3) | |
| C8 | 0.81545 (18) | 1.40218 (15) | 0.36071 (9) | 0.0192 (3) | |
| H8A | 0.8990 | 1.4122 | 0.3829 | 0.023* | |
| C9 | 0.73212 (19) | 1.45786 (16) | 0.38536 (9) | 0.0215 (3) | |
| H9A | 0.7598 | 1.5044 | 0.4240 | 0.026* | |
| C10 | 0.60814 (19) | 1.44401 (15) | 0.35230 (10) | 0.0216 (3) | |
| H10A | 0.5525 | 1.4812 | 0.3688 | 0.026* | |
| C11 | 0.56677 (18) | 1.37492 (16) | 0.29474 (10) | 0.0223 (3) | |
| H11A | 0.4836 | 1.3663 | 0.2725 | 0.027* | |
| C12 | 0.64908 (17) | 1.31841 (15) | 0.27014 (9) | 0.0190 (3) | |
| H12A | 0.6206 | 1.2716 | 0.2316 | 0.023* | |
| C13 | 1.02687 (16) | 1.29086 (13) | 0.32548 (8) | 0.0150 (3) | |
| H13A | 1.0870 | 1.3544 | 0.3151 | 0.018* | |
| H13B | 1.0051 | 1.3099 | 0.3675 | 0.018* | |
| C14 | 1.20348 (16) | 1.18633 (14) | 0.26653 (8) | 0.0149 (3) | |
| C15 | 1.20290 (17) | 1.26488 (15) | 0.22314 (9) | 0.0186 (3) | |
| H15A | 1.1591 | 1.3193 | 0.2295 | 0.022* | |
| C16 | 1.26785 (19) | 1.26183 (18) | 0.17042 (10) | 0.0243 (4) | |
| H16A | 1.2673 | 1.3144 | 0.1418 | 0.029* | |
| C17 | 1.33347 (19) | 1.18084 (18) | 0.16030 (10) | 0.0246 (4) | |
| H17A | 1.3747 | 1.1780 | 0.1244 | 0.030* | |
| C18 | 1.33699 (18) | 1.10422 (17) | 0.20416 (9) | 0.0216 (3) | |
| H18A | 1.3822 | 1.0508 | 0.1981 | 0.026* | |
| C19 | 1.27308 (17) | 1.10715 (14) | 0.25718 (9) | 0.0174 (3) | |
| H19A | 1.2767 | 1.0561 | 0.2866 | 0.021* | |
| C20 | 1.22350 (16) | 1.22969 (13) | 0.40601 (8) | 0.0150 (3) | |
| C21 | 1.35464 (18) | 1.27053 (16) | 0.40655 (9) | 0.0208 (3) | |
| H21A | 1.3871 | 1.2704 | 0.3678 | 0.025* | |
| C22 | 1.4378 (2) | 1.31169 (18) | 0.46514 (10) | 0.0261 (4) | |
| H22A | 1.5255 | 1.3384 | 0.4652 | 0.031* | |
| C23 | 1.3905 (2) | 1.31285 (17) | 0.52300 (10) | 0.0249 (4) | |
| H23A | 1.4460 | 1.3405 | 0.5619 | 0.030* | |
| C24 | 1.2597 (2) | 1.27251 (17) | 0.52274 (9) | 0.0229 (3) | |
| H24A | 1.2276 | 1.2738 | 0.5616 | 0.027* | |
| C25 | 1.17665 (18) | 1.23034 (15) | 0.46504 (9) | 0.0194 (3) | |
| H25A | 1.0894 | 1.2023 | 0.4655 | 0.023* | |
| C26 | 0.39948 (16) | 0.80880 (13) | 0.16213 (8) | 0.0155 (3) | |
| C27 | 0.26723 (17) | 0.78662 (15) | 0.16155 (9) | 0.0193 (3) | |
| H27A | 0.2323 | 0.7505 | 0.1943 | 0.023* | |
| C28 | 0.18649 (18) | 0.81801 (16) | 0.11239 (9) | 0.0207 (3) | |
| H28A | 0.0983 | 0.8037 | 0.1127 | 0.025* | |
| C29 | 0.23805 (18) | 0.87091 (15) | 0.06264 (9) | 0.0188 (3) | |
| C30 | 0.37130 (19) | 0.89558 (16) | 0.06400 (9) | 0.0207 (3) | |
| H30A | 0.4066 | 0.9324 | 0.0316 | 0.025* | |
| C31 | 0.45127 (17) | 0.86529 (14) | 0.11362 (9) | 0.0186 (3) | |
| H31A | 0.5399 | 0.8828 | 0.1145 | 0.022* | |
| C32 | 0.51489 (17) | 0.61810 (13) | 0.16580 (8) | 0.0161 (3) | |
| C33 | 0.41482 (18) | 0.57361 (14) | 0.11431 (9) | 0.0199 (3) | |
| H33A | 0.3458 | 0.6061 | 0.1068 | 0.024* | |
| C34 | 0.41688 (19) | 0.48096 (15) | 0.07386 (9) | 0.0213 (3) | |
| H34A | 0.3500 | 0.4527 | 0.0393 | 0.026* | |
| C35 | 0.51893 (19) | 0.43051 (14) | 0.08509 (9) | 0.0187 (3) | |
| C36 | 0.61985 (19) | 0.47521 (15) | 0.13645 (9) | 0.0212 (3) | |
| H36A | 0.6888 | 0.4427 | 0.1441 | 0.025* | |
| C37 | 0.61745 (18) | 0.56789 (15) | 0.17616 (9) | 0.0205 (3) | |
| H37A | 0.6852 | 0.5970 | 0.2102 | 0.025* | |
| C38 | 0.40518 (16) | 0.69247 (13) | 0.28205 (8) | 0.0154 (3) | |
| C39 | 0.38059 (17) | 0.58160 (14) | 0.29089 (9) | 0.0173 (3) | |
| H39A | 0.4118 | 0.5337 | 0.2651 | 0.021* | |
| C40 | 0.30962 (17) | 0.54248 (14) | 0.33805 (9) | 0.0181 (3) | |
| H40A | 0.2961 | 0.4689 | 0.3445 | 0.022* | |
| C41 | 0.25826 (17) | 0.61239 (14) | 0.37597 (9) | 0.0169 (3) | |
| C42 | 0.28079 (18) | 0.72304 (15) | 0.36634 (9) | 0.0199 (3) | |
| H42A | 0.2460 | 0.7702 | 0.3907 | 0.024* | |
| C43 | 0.35491 (18) | 0.76292 (14) | 0.32052 (9) | 0.0194 (3) | |
| H43A | 0.3714 | 0.8371 | 0.3153 | 0.023* | |
| C44 | −0.0172 (2) | 0.8498 (2) | 0.00396 (11) | 0.0289 (4) | |
| H44A | −0.0741 | 0.8627 | −0.0326 | 0.043* | |
| H44B | −0.0369 | 0.8816 | 0.0433 | 0.043* | |
| H44C | −0.0281 | 0.7724 | 0.0051 | 0.043* | |
| C45 | 0.3761 (2) | 0.26979 (19) | −0.01170 (11) | 0.0306 (4) | |
| H45A | 0.3674 | 0.1993 | −0.0352 | 0.046* | |
| H45B | 0.3677 | 0.3222 | −0.0419 | 0.046* | |
| H45C | 0.3100 | 0.2653 | 0.0148 | 0.046* | |
| C46 | 0.0931 (3) | 0.65660 (19) | 0.46065 (12) | 0.0321 (5) | |
| H46A | 0.0323 | 0.6268 | 0.4877 | 0.048* | |
| H46B | 0.0486 | 0.6793 | 0.4231 | 0.048* | |
| H46C | 0.1558 | 0.7186 | 0.4846 | 0.048* | |
| C47 | 0.92190 (17) | 1.05241 (14) | 0.18044 (8) | 0.0171 (3) | |
| C48 | 0.67963 (17) | 1.08893 (14) | 0.15414 (9) | 0.0185 (3) | |
| C49 | 0.65165 (17) | 1.06542 (15) | 0.28060 (9) | 0.0186 (3) | |
| C50 | 0.85955 (16) | 1.08903 (14) | 0.38234 (8) | 0.0162 (3) | |
| C51 | 1.02419 (17) | 0.95376 (14) | 0.40485 (9) | 0.0179 (3) | |
| C52 | 1.02916 (17) | 0.92561 (14) | 0.27472 (9) | 0.0176 (3) | |
| C53 | 0.79256 (17) | 0.83725 (15) | 0.18851 (9) | 0.0188 (3) | |
| C54 | 0.80506 (18) | 0.74630 (14) | 0.30340 (9) | 0.0184 (3) | |
| C55 | 0.67171 (17) | 0.89014 (14) | 0.35021 (9) | 0.0180 (3) | |
| Cl1 | 0.38996 (8) | 0.00599 (6) | 0.45153 (4) | 0.04883 (17) | |
| C56 | 0.5335 (4) | 0.0655 (3) | 0.4924 (2) | 0.0284 (8) | 0.50 |
| H56A | 0.5271 | 0.1322 | 0.5156 | 0.034* | 0.50 |
| H56B | 0.5897 | 0.0856 | 0.4614 | 0.034* | 0.50 |
| Ru1 | 0.01295 (5) | 0.01199 (5) | 0.01326 (5) | 0.00315 (4) | 0.00049 (4) | 0.00250 (4) |
| Ru2 | 0.01166 (5) | 0.01287 (5) | 0.01219 (5) | 0.00396 (4) | 0.00212 (4) | 0.00244 (4) |
| Ru3 | 0.01298 (5) | 0.01205 (5) | 0.01406 (5) | 0.00286 (4) | 0.00259 (4) | 0.00265 (4) |
| As1 | 0.01331 (7) | 0.01265 (7) | 0.01545 (7) | 0.00372 (5) | 0.00291 (6) | 0.00193 (5) |
| P1 | 0.01247 (16) | 0.01252 (16) | 0.01434 (17) | 0.00372 (13) | 0.00158 (13) | 0.00251 (13) |
| P2 | 0.01157 (16) | 0.01369 (16) | 0.01305 (17) | 0.00384 (13) | 0.00196 (13) | 0.00208 (13) |
| S1 | 0.0250 (2) | 0.0332 (2) | 0.0187 (2) | 0.01099 (19) | 0.00041 (17) | 0.00628 (17) |
| S2 | 0.0308 (2) | 0.01854 (18) | 0.0215 (2) | 0.00746 (17) | 0.00672 (18) | −0.00113 (15) |
| S3 | 0.0260 (2) | 0.02171 (19) | 0.0213 (2) | 0.00338 (16) | 0.00942 (17) | 0.00470 (16) |
| O1 | 0.0219 (6) | 0.0247 (6) | 0.0178 (6) | 0.0056 (5) | 0.0043 (5) | 0.0032 (5) |
| O2 | 0.0261 (7) | 0.0312 (7) | 0.0244 (7) | 0.0054 (6) | −0.0043 (6) | 0.0105 (6) |
| O3 | 0.0198 (6) | 0.0313 (7) | 0.0323 (8) | 0.0116 (5) | 0.0093 (6) | 0.0142 (6) |
| O4 | 0.0199 (6) | 0.0250 (6) | 0.0213 (6) | 0.0074 (5) | 0.0050 (5) | −0.0015 (5) |
| O5 | 0.0349 (8) | 0.0353 (8) | 0.0243 (7) | 0.0141 (7) | 0.0021 (6) | 0.0136 (6) |
| O6 | 0.0220 (6) | 0.0252 (6) | 0.0263 (7) | 0.0090 (5) | 0.0066 (5) | −0.0024 (5) |
| O7 | 0.0267 (7) | 0.0261 (7) | 0.0210 (6) | 0.0005 (5) | 0.0081 (5) | −0.0013 (5) |
| O8 | 0.0302 (7) | 0.0237 (6) | 0.0267 (7) | 0.0123 (6) | 0.0021 (6) | 0.0068 (5) |
| O9 | 0.0306 (7) | 0.0244 (6) | 0.0213 (6) | 0.0073 (5) | 0.0105 (6) | 0.0032 (5) |
| C1 | 0.0154 (7) | 0.0162 (6) | 0.0194 (7) | 0.0042 (5) | 0.0033 (6) | 0.0054 (5) |
| C2 | 0.0240 (8) | 0.0159 (7) | 0.0256 (9) | 0.0004 (6) | 0.0034 (7) | 0.0048 (6) |
| C3 | 0.0351 (11) | 0.0184 (8) | 0.0410 (12) | 0.0015 (8) | 0.0098 (9) | 0.0103 (8) |
| C4 | 0.0466 (14) | 0.0281 (10) | 0.0373 (12) | 0.0084 (9) | 0.0181 (10) | 0.0187 (9) |
| C5 | 0.0428 (13) | 0.0304 (10) | 0.0239 (9) | 0.0114 (9) | 0.0127 (9) | 0.0110 (8) |
| C6 | 0.0264 (9) | 0.0203 (7) | 0.0200 (8) | 0.0069 (6) | 0.0069 (7) | 0.0065 (6) |
| C7 | 0.0140 (6) | 0.0147 (6) | 0.0191 (7) | 0.0053 (5) | 0.0035 (5) | 0.0035 (5) |
| C8 | 0.0178 (7) | 0.0207 (7) | 0.0197 (8) | 0.0080 (6) | 0.0009 (6) | 0.0006 (6) |
| C9 | 0.0234 (8) | 0.0225 (8) | 0.0208 (8) | 0.0108 (7) | 0.0034 (6) | 0.0005 (6) |
| C10 | 0.0204 (8) | 0.0204 (7) | 0.0274 (9) | 0.0096 (6) | 0.0071 (7) | 0.0034 (6) |
| C11 | 0.0150 (7) | 0.0219 (8) | 0.0314 (10) | 0.0075 (6) | 0.0034 (7) | 0.0033 (7) |
| C12 | 0.0158 (7) | 0.0185 (7) | 0.0227 (8) | 0.0056 (6) | 0.0011 (6) | 0.0015 (6) |
| C13 | 0.0136 (6) | 0.0137 (6) | 0.0174 (7) | 0.0041 (5) | 0.0001 (5) | 0.0011 (5) |
| C14 | 0.0119 (6) | 0.0182 (7) | 0.0148 (7) | 0.0035 (5) | 0.0027 (5) | 0.0030 (5) |
| C15 | 0.0161 (7) | 0.0218 (7) | 0.0195 (8) | 0.0052 (6) | 0.0043 (6) | 0.0068 (6) |
| C16 | 0.0215 (8) | 0.0327 (10) | 0.0208 (8) | 0.0057 (7) | 0.0069 (7) | 0.0115 (7) |
| C17 | 0.0197 (8) | 0.0371 (10) | 0.0181 (8) | 0.0057 (7) | 0.0079 (6) | 0.0045 (7) |
| C18 | 0.0176 (8) | 0.0274 (8) | 0.0212 (8) | 0.0073 (6) | 0.0057 (6) | 0.0000 (7) |
| C19 | 0.0151 (7) | 0.0201 (7) | 0.0183 (7) | 0.0052 (6) | 0.0051 (6) | 0.0031 (6) |
| C20 | 0.0157 (7) | 0.0150 (6) | 0.0138 (6) | 0.0042 (5) | 0.0003 (5) | 0.0012 (5) |
| C21 | 0.0155 (7) | 0.0264 (8) | 0.0188 (8) | 0.0018 (6) | 0.0012 (6) | 0.0047 (6) |
| C22 | 0.0183 (8) | 0.0308 (9) | 0.0241 (9) | −0.0009 (7) | −0.0022 (7) | 0.0033 (7) |
| C23 | 0.0263 (9) | 0.0256 (9) | 0.0189 (8) | 0.0051 (7) | −0.0054 (7) | −0.0015 (7) |
| C24 | 0.0267 (9) | 0.0270 (9) | 0.0151 (7) | 0.0089 (7) | 0.0012 (6) | 0.0002 (6) |
| C25 | 0.0181 (7) | 0.0234 (8) | 0.0163 (7) | 0.0052 (6) | 0.0028 (6) | 0.0009 (6) |
| C26 | 0.0154 (7) | 0.0143 (6) | 0.0173 (7) | 0.0048 (5) | 0.0022 (5) | 0.0019 (5) |
| C27 | 0.0172 (7) | 0.0226 (8) | 0.0208 (8) | 0.0075 (6) | 0.0052 (6) | 0.0071 (6) |
| C28 | 0.0163 (7) | 0.0272 (8) | 0.0205 (8) | 0.0081 (6) | 0.0038 (6) | 0.0050 (6) |
| C29 | 0.0211 (8) | 0.0197 (7) | 0.0160 (7) | 0.0074 (6) | 0.0013 (6) | 0.0000 (6) |
| C30 | 0.0213 (8) | 0.0235 (8) | 0.0177 (8) | 0.0049 (6) | 0.0041 (6) | 0.0052 (6) |
| C31 | 0.0167 (7) | 0.0192 (7) | 0.0204 (8) | 0.0044 (6) | 0.0043 (6) | 0.0028 (6) |
| C32 | 0.0174 (7) | 0.0139 (6) | 0.0172 (7) | 0.0044 (5) | 0.0034 (6) | 0.0014 (5) |
| C33 | 0.0208 (8) | 0.0166 (7) | 0.0221 (8) | 0.0060 (6) | 0.0015 (6) | −0.0002 (6) |
| C34 | 0.0237 (8) | 0.0186 (7) | 0.0195 (8) | 0.0045 (6) | 0.0001 (6) | −0.0011 (6) |
| C35 | 0.0246 (8) | 0.0160 (7) | 0.0167 (7) | 0.0048 (6) | 0.0076 (6) | 0.0025 (5) |
| C36 | 0.0213 (8) | 0.0213 (8) | 0.0223 (8) | 0.0092 (6) | 0.0030 (6) | −0.0007 (6) |
| C37 | 0.0202 (8) | 0.0199 (7) | 0.0217 (8) | 0.0079 (6) | 0.0010 (6) | −0.0007 (6) |
| C38 | 0.0146 (7) | 0.0152 (6) | 0.0168 (7) | 0.0043 (5) | 0.0030 (5) | 0.0024 (5) |
| C39 | 0.0168 (7) | 0.0146 (6) | 0.0214 (8) | 0.0043 (5) | 0.0043 (6) | 0.0036 (5) |
| C40 | 0.0169 (7) | 0.0152 (6) | 0.0223 (8) | 0.0032 (5) | 0.0036 (6) | 0.0041 (6) |
| C41 | 0.0152 (7) | 0.0174 (7) | 0.0171 (7) | 0.0021 (5) | 0.0026 (5) | 0.0028 (5) |
| C42 | 0.0226 (8) | 0.0170 (7) | 0.0216 (8) | 0.0051 (6) | 0.0077 (6) | 0.0019 (6) |
| C43 | 0.0233 (8) | 0.0140 (6) | 0.0220 (8) | 0.0041 (6) | 0.0076 (6) | 0.0027 (6) |
| C44 | 0.0236 (9) | 0.0399 (11) | 0.0258 (10) | 0.0139 (8) | 0.0018 (7) | 0.0054 (8) |
| C45 | 0.0329 (11) | 0.0289 (10) | 0.0269 (10) | 0.0046 (8) | 0.0050 (8) | −0.0065 (8) |
| C46 | 0.0414 (13) | 0.0302 (10) | 0.0290 (10) | 0.0113 (9) | 0.0170 (9) | 0.0019 (8) |
| C47 | 0.0185 (7) | 0.0158 (6) | 0.0161 (7) | 0.0040 (5) | −0.0008 (6) | 0.0024 (5) |
| C48 | 0.0180 (7) | 0.0186 (7) | 0.0185 (7) | 0.0043 (6) | 0.0004 (6) | 0.0043 (6) |
| C49 | 0.0157 (7) | 0.0194 (7) | 0.0208 (8) | 0.0044 (6) | 0.0009 (6) | 0.0065 (6) |
| C50 | 0.0153 (7) | 0.0175 (7) | 0.0160 (7) | 0.0045 (5) | 0.0017 (5) | 0.0025 (5) |
| C51 | 0.0175 (7) | 0.0188 (7) | 0.0190 (7) | 0.0066 (6) | 0.0039 (6) | 0.0036 (6) |
| C52 | 0.0171 (7) | 0.0179 (7) | 0.0179 (7) | 0.0049 (6) | 0.0022 (6) | 0.0030 (6) |
| C53 | 0.0166 (7) | 0.0194 (7) | 0.0190 (7) | 0.0020 (6) | 0.0022 (6) | 0.0027 (6) |
| C54 | 0.0194 (7) | 0.0186 (7) | 0.0170 (7) | 0.0041 (6) | 0.0032 (6) | 0.0025 (6) |
| C55 | 0.0190 (7) | 0.0147 (6) | 0.0205 (8) | 0.0040 (5) | 0.0031 (6) | 0.0035 (6) |
| Cl1 | 0.0647 (5) | 0.0448 (4) | 0.0421 (4) | 0.0295 (3) | 0.0040 (3) | −0.0036 (3) |
| C56 | 0.029 (2) | 0.0228 (17) | 0.035 (2) | 0.0055 (15) | 0.0140 (17) | 0.0021 (15) |
| Ru1—C48 | 1.8932 (18) | C15—C16 | 1.393 (3) |
| Ru1—C49 | 1.9365 (19) | C15—H15A | 0.9300 |
| Ru1—C47 | 1.9401 (19) | C16—C17 | 1.390 (3) |
| Ru1—P1 | 2.3280 (4) | C16—H16A | 0.9300 |
| Ru1—Ru2 | 2.84289 (18) | C17—C18 | 1.388 (3) |
| Ru1—Ru3 | 2.89756 (18) | C17—H17A | 0.9300 |
| Ru2—C51 | 1.9030 (18) | C18—C19 | 1.392 (3) |
| Ru2—C50 | 1.9313 (17) | C18—H18A | 0.9300 |
| Ru2—C52 | 1.9340 (18) | C19—H19A | 0.9300 |
| Ru2—P2 | 2.3212 (4) | C20—C21 | 1.391 (2) |
| Ru2—Ru3 | 2.81836 (19) | C20—C25 | 1.402 (2) |
| Ru3—C54 | 1.8770 (18) | C21—C22 | 1.398 (3) |
| Ru3—C53 | 1.9245 (19) | C21—H21A | 0.9300 |
| Ru3—C55 | 1.9445 (19) | C22—C23 | 1.382 (3) |
| Ru3—As1 | 2.4534 (2) | C22—H22A | 0.9300 |
| As1—C38 | 1.9413 (17) | C23—C24 | 1.388 (3) |
| As1—C26 | 1.9425 (17) | C23—H23A | 0.9300 |
| As1—C32 | 1.9459 (17) | C24—C25 | 1.385 (3) |
| P1—C7 | 1.8311 (17) | C24—H24A | 0.9300 |
| P1—C1 | 1.8381 (17) | C25—H25A | 0.9300 |
| P1—C13 | 1.8508 (17) | C26—C27 | 1.390 (2) |
| P2—C14 | 1.8202 (17) | C26—C31 | 1.396 (2) |
| P2—C20 | 1.8311 (17) | C27—C28 | 1.394 (3) |
| P2—C13 | 1.8391 (16) | C27—H27A | 0.9300 |
| S1—C29 | 1.7578 (18) | C28—C29 | 1.396 (3) |
| S1—C44 | 1.798 (2) | C28—H28A | 0.9300 |
| S2—C35 | 1.7571 (18) | C29—C30 | 1.398 (3) |
| S2—C45 | 1.789 (2) | C30—C31 | 1.389 (3) |
| S3—C41 | 1.7629 (18) | C30—H30A | 0.9300 |
| S3—C46 | 1.800 (2) | C31—H31A | 0.9300 |
| O1—C47 | 1.147 (2) | C32—C33 | 1.393 (3) |
| O2—C48 | 1.147 (2) | C32—C37 | 1.397 (2) |
| O3—C49 | 1.147 (2) | C33—C34 | 1.395 (3) |
| O4—C50 | 1.146 (2) | C33—H33A | 0.9300 |
| O5—C51 | 1.141 (2) | C34—C35 | 1.395 (3) |
| O6—C52 | 1.147 (2) | C34—H34A | 0.9300 |
| O7—C53 | 1.150 (2) | C35—C36 | 1.397 (3) |
| O8—C54 | 1.151 (2) | C36—C37 | 1.388 (3) |
| O9—C55 | 1.139 (2) | C36—H36A | 0.9300 |
| C1—C6 | 1.394 (3) | C37—H37A | 0.9300 |
| C1—C2 | 1.406 (3) | C38—C39 | 1.395 (2) |
| C2—C3 | 1.387 (3) | C38—C43 | 1.403 (2) |
| C2—H2A | 0.9300 | C39—C40 | 1.389 (2) |
| C3—C4 | 1.391 (4) | C39—H39A | 0.9300 |
| C3—H3A | 0.9300 | C40—C41 | 1.399 (3) |
| C4—C5 | 1.387 (3) | C40—H40A | 0.9300 |
| C4—H4A | 0.9300 | C41—C42 | 1.397 (2) |
| C5—C6 | 1.399 (3) | C42—C43 | 1.389 (3) |
| C5—H5A | 0.9300 | C42—H42A | 0.9300 |
| C6—H6A | 0.9300 | C43—H43A | 0.9300 |
| C7—C8 | 1.394 (2) | C44—H44A | 0.9600 |
| C7—C12 | 1.400 (2) | C44—H44B | 0.9600 |
| C8—C9 | 1.391 (3) | C44—H44C | 0.9600 |
| C8—H8A | 0.9300 | C45—H45A | 0.9600 |
| C9—C10 | 1.383 (3) | C45—H45B | 0.9600 |
| C9—H9A | 0.9300 | C45—H45C | 0.9600 |
| C10—C11 | 1.384 (3) | C46—H46A | 0.9600 |
| C10—H10A | 0.9300 | C46—H46B | 0.9600 |
| C11—C12 | 1.389 (3) | C46—H46C | 0.9600 |
| C11—H11A | 0.9300 | Cl1—C56 | 1.640 (5) |
| C12—H12A | 0.9300 | Cl1—C56i | 1.763 (5) |
| C13—H13A | 0.9700 | C56—Cl1i | 1.763 (5) |
| C13—H13B | 0.9700 | C56—H56A | 0.9600 |
| C14—C15 | 1.397 (2) | C56—H56B | 0.9600 |
| C14—C19 | 1.399 (2) | ||
| C48—Ru1—C49 | 91.37 (8) | C18—C17—H17A | 120.2 |
| C48—Ru1—C47 | 91.58 (8) | C16—C17—H17A | 120.2 |
| C49—Ru1—C47 | 168.53 (7) | C17—C18—C19 | 120.21 (18) |
| C48—Ru1—P1 | 98.15 (6) | C17—C18—H18A | 119.9 |
| C49—Ru1—P1 | 94.01 (6) | C19—C18—H18A | 119.9 |
| C47—Ru1—P1 | 96.54 (5) | C18—C19—C14 | 120.53 (16) |
| C48—Ru1—Ru2 | 169.01 (6) | C18—C19—H19A | 119.7 |
| C49—Ru1—Ru2 | 93.12 (5) | C14—C19—H19A | 119.7 |
| C47—Ru1—Ru2 | 82.13 (5) | C21—C20—C25 | 118.92 (16) |
| P1—Ru1—Ru2 | 91.541 (11) | C21—C20—P2 | 123.14 (13) |
| C48—Ru1—Ru3 | 113.33 (5) | C25—C20—P2 | 117.93 (13) |
| C49—Ru1—Ru3 | 72.67 (5) | C20—C21—C22 | 120.29 (18) |
| C47—Ru1—Ru3 | 96.00 (5) | C20—C21—H21A | 119.9 |
| P1—Ru1—Ru3 | 145.643 (12) | C22—C21—H21A | 119.9 |
| Ru2—Ru1—Ru3 | 58.799 (4) | C23—C22—C21 | 120.34 (19) |
| C51—Ru2—C50 | 91.76 (7) | C23—C22—H22A | 119.8 |
| C51—Ru2—C52 | 90.74 (7) | C21—C22—H22A | 119.8 |
| C50—Ru2—C52 | 172.03 (7) | C22—C23—C24 | 119.62 (18) |
| C51—Ru2—P2 | 103.48 (6) | C22—C23—H23A | 120.2 |
| C50—Ru2—P2 | 90.49 (5) | C24—C23—H23A | 120.2 |
| C52—Ru2—P2 | 96.28 (5) | C25—C24—C23 | 120.51 (18) |
| C51—Ru2—Ru3 | 106.23 (6) | C25—C24—H24A | 119.7 |
| C50—Ru2—Ru3 | 92.76 (5) | C23—C24—H24A | 119.7 |
| C52—Ru2—Ru3 | 79.28 (5) | C24—C25—C20 | 120.31 (17) |
| P2—Ru2—Ru3 | 149.985 (12) | C24—C25—H25A | 119.8 |
| C51—Ru2—Ru1 | 164.61 (5) | C20—C25—H25A | 119.8 |
| C50—Ru2—Ru1 | 80.11 (5) | C27—C26—C31 | 119.21 (16) |
| C52—Ru2—Ru1 | 95.68 (5) | C27—C26—As1 | 123.23 (13) |
| P2—Ru2—Ru1 | 89.729 (11) | C31—C26—As1 | 117.13 (13) |
| Ru3—Ru2—Ru1 | 61.569 (5) | C26—C27—C28 | 120.64 (17) |
| C54—Ru3—C53 | 92.51 (8) | C26—C27—H27A | 119.7 |
| C54—Ru3—C55 | 92.73 (7) | C28—C27—H27A | 119.7 |
| C53—Ru3—C55 | 174.29 (7) | C27—C28—C29 | 120.00 (17) |
| C54—Ru3—As1 | 101.07 (6) | C27—C28—H28A | 120.0 |
| C53—Ru3—As1 | 90.73 (5) | C29—C28—H28A | 120.0 |
| C55—Ru3—As1 | 90.50 (5) | C28—C29—C30 | 119.40 (17) |
| C54—Ru3—Ru2 | 89.15 (6) | C28—C29—S1 | 124.59 (15) |
| C53—Ru3—Ru2 | 95.37 (5) | C30—C29—S1 | 116.01 (14) |
| C55—Ru3—Ru2 | 82.43 (5) | C31—C30—C29 | 120.22 (17) |
| As1—Ru3—Ru2 | 167.874 (7) | C31—C30—H30A | 119.9 |
| C54—Ru3—Ru1 | 144.62 (6) | C29—C30—H30A | 119.9 |
| C53—Ru3—Ru1 | 75.80 (5) | C30—C31—C26 | 120.48 (17) |
| C55—Ru3—Ru1 | 98.58 (5) | C30—C31—H31A | 119.8 |
| As1—Ru3—Ru1 | 112.165 (7) | C26—C31—H31A | 119.8 |
| Ru2—Ru3—Ru1 | 59.632 (5) | C33—C32—C37 | 118.60 (16) |
| C38—As1—C26 | 101.53 (7) | C33—C32—As1 | 121.12 (13) |
| C38—As1—C32 | 102.50 (7) | C37—C32—As1 | 120.26 (13) |
| C26—As1—C32 | 98.87 (7) | C32—C33—C34 | 120.79 (17) |
| C38—As1—Ru3 | 115.32 (5) | C32—C33—H33A | 119.6 |
| C26—As1—Ru3 | 122.36 (5) | C34—C33—H33A | 119.6 |
| C32—As1—Ru3 | 113.31 (5) | C33—C34—C35 | 120.21 (17) |
| C7—P1—C1 | 98.31 (8) | C33—C34—H34A | 119.9 |
| C7—P1—C13 | 102.25 (8) | C35—C34—H34A | 119.9 |
| C1—P1—C13 | 103.32 (8) | C34—C35—C36 | 119.18 (16) |
| C7—P1—Ru1 | 115.19 (6) | C34—C35—S2 | 124.52 (15) |
| C1—P1—Ru1 | 120.08 (6) | C36—C35—S2 | 116.29 (14) |
| C13—P1—Ru1 | 114.97 (5) | C37—C36—C35 | 120.20 (17) |
| C14—P2—C20 | 105.03 (8) | C37—C36—H36A | 119.9 |
| C14—P2—C13 | 105.42 (8) | C35—C36—H36A | 119.9 |
| C20—P2—C13 | 99.85 (8) | C36—C37—C32 | 121.00 (17) |
| C14—P2—Ru2 | 117.27 (6) | C36—C37—H37A | 119.5 |
| C20—P2—Ru2 | 117.45 (6) | C32—C37—H37A | 119.5 |
| C13—P2—Ru2 | 109.85 (6) | C39—C38—C43 | 118.98 (16) |
| C29—S1—C44 | 103.84 (10) | C39—C38—As1 | 120.45 (13) |
| C35—S2—C45 | 102.34 (10) | C43—C38—As1 | 120.47 (12) |
| C41—S3—C46 | 103.70 (10) | C40—C39—C38 | 120.25 (16) |
| C6—C1—C2 | 119.03 (16) | C40—C39—H39A | 119.9 |
| C6—C1—P1 | 121.32 (13) | C38—C39—H39A | 119.9 |
| C2—C1—P1 | 119.57 (14) | C39—C40—C41 | 120.81 (16) |
| C3—C2—C1 | 120.6 (2) | C39—C40—H40A | 119.6 |
| C3—C2—H2A | 119.7 | C41—C40—H40A | 119.6 |
| C1—C2—H2A | 119.7 | C42—C41—C40 | 118.98 (16) |
| C2—C3—C4 | 119.9 (2) | C42—C41—S3 | 124.37 (14) |
| C2—C3—H3A | 120.0 | C40—C41—S3 | 116.61 (13) |
| C4—C3—H3A | 120.0 | C43—C42—C41 | 120.27 (16) |
| C5—C4—C3 | 120.11 (19) | C43—C42—H42A | 119.9 |
| C5—C4—H4A | 119.9 | C41—C42—H42A | 119.9 |
| C3—C4—H4A | 119.9 | C42—C43—C38 | 120.66 (16) |
| C4—C5—C6 | 120.2 (2) | C42—C43—H43A | 119.7 |
| C4—C5—H5A | 119.9 | C38—C43—H43A | 119.7 |
| C6—C5—H5A | 119.9 | S1—C44—H44A | 109.5 |
| C1—C6—C5 | 120.17 (18) | S1—C44—H44B | 109.5 |
| C1—C6—H6A | 119.9 | H44A—C44—H44B | 109.5 |
| C5—C6—H6A | 119.9 | S1—C44—H44C | 109.5 |
| C8—C7—C12 | 118.82 (16) | H44A—C44—H44C | 109.5 |
| C8—C7—P1 | 124.27 (13) | H44B—C44—H44C | 109.5 |
| C12—C7—P1 | 116.80 (13) | S2—C45—H45A | 109.5 |
| C9—C8—C7 | 120.58 (17) | S2—C45—H45B | 109.5 |
| C9—C8—H8A | 119.7 | H45A—C45—H45B | 109.5 |
| C7—C8—H8A | 119.7 | S2—C45—H45C | 109.5 |
| C10—C9—C8 | 119.95 (18) | H45A—C45—H45C | 109.5 |
| C10—C9—H9A | 120.0 | H45B—C45—H45C | 109.5 |
| C8—C9—H9A | 120.0 | S3—C46—H46A | 109.5 |
| C9—C10—C11 | 120.15 (17) | S3—C46—H46B | 109.5 |
| C9—C10—H10A | 119.9 | H46A—C46—H46B | 109.5 |
| C11—C10—H10A | 119.9 | S3—C46—H46C | 109.5 |
| C10—C11—C12 | 120.19 (17) | H46A—C46—H46C | 109.5 |
| C10—C11—H11A | 119.9 | H46B—C46—H46C | 109.5 |
| C12—C11—H11A | 119.9 | O1—C47—Ru1 | 174.90 (15) |
| C11—C12—C7 | 120.31 (17) | O2—C48—Ru1 | 177.15 (17) |
| C11—C12—H12A | 119.8 | O3—C49—Ru1 | 171.53 (15) |
| C7—C12—H12A | 119.8 | O4—C50—Ru2 | 175.33 (16) |
| P2—C13—P1 | 114.22 (9) | O5—C51—Ru2 | 177.76 (17) |
| P2—C13—H13A | 108.7 | O6—C52—Ru2 | 174.50 (16) |
| P1—C13—H13A | 108.7 | O7—C53—Ru3 | 171.18 (16) |
| P2—C13—H13B | 108.7 | O8—C54—Ru3 | 174.27 (17) |
| P1—C13—H13B | 108.7 | O9—C55—Ru3 | 174.68 (16) |
| H13A—C13—H13B | 107.6 | C56—Cl1—C56i | 60.6 (2) |
| C15—C14—C19 | 119.00 (16) | Cl1—C56—C56i | 63.3 (3) |
| C15—C14—P2 | 122.11 (13) | Cl1—C56—Cl1i | 119.4 (2) |
| C19—C14—P2 | 118.75 (13) | C56i—C56—Cl1i | 56.1 (3) |
| C16—C15—C14 | 120.10 (17) | Cl1—C56—H56A | 107.3 |
| C16—C15—H15A | 119.9 | C56i—C56—H56A | 126.2 |
| C14—C15—H15A | 119.9 | Cl1i—C56—H56A | 107.4 |
| C17—C16—C15 | 120.56 (18) | Cl1—C56—H56B | 107.5 |
| C17—C16—H16A | 119.7 | C56i—C56—H56B | 126.4 |
| C15—C16—H16A | 119.7 | Cl1i—C56—H56B | 107.4 |
| C18—C17—C16 | 119.55 (17) | H56A—C56—H56B | 107.2 |
| C48—Ru1—Ru2—C51 | −86.1 (4) | C7—P1—C1—C6 | −128.05 (16) |
| C49—Ru1—Ru2—C51 | 27.9 (2) | C13—P1—C1—C6 | 127.18 (16) |
| C47—Ru1—Ru2—C51 | −141.6 (2) | Ru1—P1—C1—C6 | −2.49 (18) |
| P1—Ru1—Ru2—C51 | 122.0 (2) | C7—P1—C1—C2 | 48.68 (16) |
| Ru3—Ru1—Ru2—C51 | −39.7 (2) | C13—P1—C1—C2 | −56.08 (16) |
| C48—Ru1—Ru2—C50 | −145.0 (3) | Ru1—P1—C1—C2 | 174.25 (13) |
| C49—Ru1—Ru2—C50 | −31.07 (8) | C6—C1—C2—C3 | −0.6 (3) |
| C47—Ru1—Ru2—C50 | 159.43 (7) | P1—C1—C2—C3 | −177.41 (17) |
| P1—Ru1—Ru2—C50 | 63.04 (5) | C1—C2—C3—C4 | 0.5 (3) |
| Ru3—Ru1—Ru2—C50 | −98.62 (5) | C2—C3—C4—C5 | 0.4 (4) |
| C48—Ru1—Ru2—C52 | 28.1 (3) | C3—C4—C5—C6 | −1.1 (4) |
| C49—Ru1—Ru2—C52 | 142.10 (8) | C2—C1—C6—C5 | −0.2 (3) |
| C47—Ru1—Ru2—C52 | −27.41 (7) | P1—C1—C6—C5 | 176.61 (17) |
| P1—Ru1—Ru2—C52 | −123.80 (5) | C4—C5—C6—C1 | 1.0 (3) |
| Ru3—Ru1—Ru2—C52 | 74.54 (5) | C1—P1—C7—C8 | −97.59 (16) |
| C48—Ru1—Ru2—P2 | 124.4 (3) | C13—P1—C7—C8 | 8.06 (17) |
| C49—Ru1—Ru2—P2 | −121.61 (6) | Ru1—P1—C7—C8 | 133.47 (14) |
| C47—Ru1—Ru2—P2 | 68.88 (5) | C1—P1—C7—C12 | 78.45 (15) |
| P1—Ru1—Ru2—P2 | −27.510 (16) | C13—P1—C7—C12 | −175.89 (13) |
| Ru3—Ru1—Ru2—P2 | 170.831 (12) | Ru1—P1—C7—C12 | −50.48 (15) |
| C48—Ru1—Ru2—Ru3 | −46.4 (3) | C12—C7—C8—C9 | 0.5 (3) |
| C49—Ru1—Ru2—Ru3 | 67.56 (5) | P1—C7—C8—C9 | 176.51 (14) |
| C47—Ru1—Ru2—Ru3 | −101.95 (5) | C7—C8—C9—C10 | −0.5 (3) |
| P1—Ru1—Ru2—Ru3 | 161.659 (12) | C8—C9—C10—C11 | 0.0 (3) |
| C51—Ru2—Ru3—C54 | −27.64 (8) | C9—C10—C11—C12 | 0.6 (3) |
| C50—Ru2—Ru3—C54 | −120.28 (7) | C10—C11—C12—C7 | −0.5 (3) |
| C52—Ru2—Ru3—C54 | 59.99 (8) | C8—C7—C12—C11 | 0.0 (3) |
| P2—Ru2—Ru3—C54 | 143.95 (6) | P1—C7—C12—C11 | −176.27 (15) |
| Ru1—Ru2—Ru3—C54 | 162.53 (6) | C14—P2—C13—P1 | 82.37 (10) |
| C51—Ru2—Ru3—C53 | −120.08 (8) | C20—P2—C13—P1 | −168.91 (9) |
| C50—Ru2—Ru3—C53 | 147.28 (7) | Ru2—P2—C13—P1 | −44.85 (10) |
| C52—Ru2—Ru3—C53 | −32.46 (8) | C7—P1—C13—P2 | 143.58 (9) |
| P2—Ru2—Ru3—C53 | 51.51 (6) | C1—P1—C13—P2 | −114.69 (10) |
| Ru1—Ru2—Ru3—C53 | 70.08 (5) | Ru1—P1—C13—P2 | 18.03 (11) |
| C51—Ru2—Ru3—C55 | 65.23 (8) | C20—P2—C14—C15 | −107.16 (15) |
| C50—Ru2—Ru3—C55 | −27.42 (7) | C13—P2—C14—C15 | −2.23 (17) |
| C52—Ru2—Ru3—C55 | 152.85 (7) | Ru2—P2—C14—C15 | 120.35 (14) |
| P2—Ru2—Ru3—C55 | −123.19 (6) | C20—P2—C14—C19 | 77.37 (15) |
| Ru1—Ru2—Ru3—C55 | −104.61 (5) | C13—P2—C14—C19 | −177.69 (14) |
| C51—Ru2—Ru3—As1 | 120.05 (6) | Ru2—P2—C14—C19 | −55.12 (15) |
| C50—Ru2—Ru3—As1 | 27.40 (6) | C19—C14—C15—C16 | 1.8 (3) |
| C52—Ru2—Ru3—As1 | −152.33 (6) | P2—C14—C15—C16 | −173.62 (15) |
| P2—Ru2—Ru3—As1 | −68.37 (4) | C14—C15—C16—C17 | 0.1 (3) |
| Ru1—Ru2—Ru3—As1 | −49.79 (3) | C15—C16—C17—C18 | −1.7 (3) |
| C51—Ru2—Ru3—Ru1 | 169.84 (6) | C16—C17—C18—C19 | 1.3 (3) |
| C50—Ru2—Ru3—Ru1 | 77.19 (5) | C17—C18—C19—C14 | 0.7 (3) |
| C52—Ru2—Ru3—Ru1 | −102.54 (5) | C15—C14—C19—C18 | −2.3 (3) |
| P2—Ru2—Ru3—Ru1 | −18.57 (2) | P2—C14—C19—C18 | 173.33 (14) |
| C48—Ru1—Ru3—C54 | 140.11 (11) | C14—P2—C20—C21 | 2.86 (17) |
| C49—Ru1—Ru3—C54 | −136.05 (11) | C13—P2—C20—C21 | −106.16 (16) |
| C47—Ru1—Ru3—C54 | 45.78 (11) | Ru2—P2—C20—C21 | 135.25 (14) |
| P1—Ru1—Ru3—C54 | −65.11 (10) | C14—P2—C20—C25 | −178.56 (13) |
| Ru2—Ru1—Ru3—C54 | −31.24 (10) | C13—P2—C20—C25 | 72.41 (15) |
| C48—Ru1—Ru3—C53 | 66.27 (8) | Ru2—P2—C20—C25 | −46.17 (15) |
| C49—Ru1—Ru3—C53 | 150.11 (8) | C25—C20—C21—C22 | −0.1 (3) |
| C47—Ru1—Ru3—C53 | −28.06 (8) | P2—C20—C21—C22 | 178.42 (15) |
| P1—Ru1—Ru3—C53 | −138.95 (6) | C20—C21—C22—C23 | −0.4 (3) |
| Ru2—Ru1—Ru3—C53 | −105.08 (6) | C21—C22—C23—C24 | 0.2 (3) |
| C48—Ru1—Ru3—C55 | −112.70 (8) | C22—C23—C24—C25 | 0.5 (3) |
| C49—Ru1—Ru3—C55 | −28.86 (8) | C23—C24—C25—C20 | −1.1 (3) |
| C47—Ru1—Ru3—C55 | 152.97 (7) | C21—C20—C25—C24 | 0.9 (3) |
| P1—Ru1—Ru3—C55 | 42.07 (6) | P2—C20—C25—C24 | −177.73 (14) |
| Ru2—Ru1—Ru3—C55 | 75.95 (5) | C38—As1—C26—C27 | −12.47 (16) |
| C48—Ru1—Ru3—As1 | −18.62 (6) | C32—As1—C26—C27 | 92.33 (16) |
| C49—Ru1—Ru3—As1 | 65.21 (6) | Ru3—As1—C26—C27 | −142.70 (13) |
| C47—Ru1—Ru3—As1 | −112.95 (5) | C38—As1—C26—C31 | 175.20 (13) |
| P1—Ru1—Ru3—As1 | 136.15 (2) | C32—As1—C26—C31 | −80.00 (14) |
| Ru2—Ru1—Ru3—As1 | 170.025 (8) | Ru3—As1—C26—C31 | 44.97 (15) |
| C48—Ru1—Ru3—Ru2 | 171.35 (6) | C31—C26—C27—C28 | 1.5 (3) |
| C49—Ru1—Ru3—Ru2 | −104.81 (6) | As1—C26—C27—C28 | −170.72 (14) |
| C47—Ru1—Ru3—Ru2 | 77.02 (5) | C26—C27—C28—C29 | 0.9 (3) |
| P1—Ru1—Ru3—Ru2 | −33.88 (2) | C27—C28—C29—C30 | −2.4 (3) |
| C54—Ru3—As1—C38 | 68.63 (8) | C27—C28—C29—S1 | 178.11 (15) |
| C53—Ru3—As1—C38 | 161.33 (8) | C44—S1—C29—C28 | −8.66 (19) |
| C55—Ru3—As1—C38 | −24.24 (7) | C44—S1—C29—C30 | 171.81 (15) |
| Ru2—Ru3—As1—C38 | −78.36 (6) | C28—C29—C30—C31 | 1.5 (3) |
| Ru1—Ru3—As1—C38 | −123.72 (5) | S1—C29—C30—C31 | −178.91 (15) |
| C54—Ru3—As1—C26 | −167.21 (8) | C29—C30—C31—C26 | 0.8 (3) |
| C53—Ru3—As1—C26 | −74.51 (8) | C27—C26—C31—C30 | −2.3 (3) |
| C55—Ru3—As1—C26 | 99.91 (8) | As1—C26—C31—C30 | 170.35 (14) |
| Ru2—Ru3—As1—C26 | 45.79 (7) | C38—As1—C32—C33 | 82.51 (16) |
| Ru1—Ru3—As1—C26 | 0.44 (6) | C26—As1—C32—C33 | −21.48 (16) |
| C54—Ru3—As1—C32 | −49.05 (8) | Ru3—As1—C32—C33 | −152.57 (13) |
| C53—Ru3—As1—C32 | 43.65 (8) | C38—As1—C32—C37 | −99.25 (15) |
| C55—Ru3—As1—C32 | −141.93 (7) | C26—As1—C32—C37 | 156.76 (15) |
| Ru2—Ru3—As1—C32 | 163.95 (6) | Ru3—As1—C32—C37 | 25.67 (16) |
| Ru1—Ru3—As1—C32 | 118.59 (5) | C37—C32—C33—C34 | −0.1 (3) |
| C48—Ru1—P1—C7 | 77.35 (8) | As1—C32—C33—C34 | 178.20 (14) |
| C49—Ru1—P1—C7 | −14.62 (8) | C32—C33—C34—C35 | 0.9 (3) |
| C47—Ru1—P1—C7 | 169.89 (8) | C33—C34—C35—C36 | −1.2 (3) |
| Ru2—Ru1—P1—C7 | −107.85 (6) | C33—C34—C35—S2 | 178.57 (15) |
| Ru3—Ru1—P1—C7 | −79.37 (7) | C45—S2—C35—C34 | −8.56 (19) |
| C48—Ru1—P1—C1 | −39.84 (9) | C45—S2—C35—C36 | 171.24 (16) |
| C49—Ru1—P1—C1 | −131.80 (8) | C34—C35—C36—C37 | 0.8 (3) |
| C47—Ru1—P1—C1 | 52.71 (8) | S2—C35—C36—C37 | −179.06 (15) |
| Ru2—Ru1—P1—C1 | 134.96 (7) | C35—C36—C37—C32 | 0.1 (3) |
| Ru3—Ru1—P1—C1 | 163.45 (6) | C33—C32—C37—C36 | −0.4 (3) |
| C48—Ru1—P1—C13 | −164.13 (8) | As1—C32—C37—C36 | −178.69 (15) |
| C49—Ru1—P1—C13 | 103.91 (8) | C26—As1—C38—C39 | 120.99 (14) |
| C47—Ru1—P1—C13 | −71.58 (8) | C32—As1—C38—C39 | 19.08 (16) |
| Ru2—Ru1—P1—C13 | 10.67 (6) | Ru3—As1—C38—C39 | −104.52 (14) |
| Ru3—Ru1—P1—C13 | 39.16 (7) | C26—As1—C38—C43 | −62.55 (16) |
| C51—Ru2—P2—C14 | 110.73 (8) | C32—As1—C38—C43 | −164.46 (15) |
| C50—Ru2—P2—C14 | −157.34 (8) | Ru3—As1—C38—C43 | 71.94 (15) |
| C52—Ru2—P2—C14 | 18.45 (8) | C43—C38—C39—C40 | −1.3 (3) |
| Ru3—Ru2—P2—C14 | −60.97 (7) | As1—C38—C39—C40 | 175.19 (14) |
| Ru1—Ru2—P2—C14 | −77.23 (6) | C38—C39—C40—C41 | 2.0 (3) |
| C51—Ru2—P2—C20 | −15.90 (8) | C39—C40—C41—C42 | −0.8 (3) |
| C50—Ru2—P2—C20 | 76.03 (8) | C39—C40—C41—S3 | −178.72 (14) |
| C52—Ru2—P2—C20 | −108.18 (8) | C46—S3—C41—C42 | 14.55 (19) |
| Ru3—Ru2—P2—C20 | 172.40 (6) | C46—S3—C41—C40 | −167.69 (15) |
| Ru1—Ru2—P2—C20 | 156.14 (6) | C40—C41—C42—C43 | −1.1 (3) |
| C51—Ru2—P2—C13 | −129.00 (8) | S3—C41—C42—C43 | 176.65 (15) |
| C50—Ru2—P2—C13 | −37.07 (8) | C41—C42—C43—C38 | 1.8 (3) |
| C52—Ru2—P2—C13 | 138.72 (8) | C39—C38—C43—C42 | −0.6 (3) |
| Ru3—Ru2—P2—C13 | 59.30 (7) | As1—C38—C43—C42 | −177.08 (15) |
| Ru1—Ru2—P2—C13 | 43.03 (6) |
| Cg1, Cg2, Cg3 and Cg4 are the centroids of the C14–C19, C26–C31, C1–C6 and C32–C37 benzene rings, respectively. |
| H··· | ||||
| C46—H46C···O4ii | 0.96 | 2.59 | 3.401 (3) | 142 |
| C11—H11A···Cg1iii | 0.93 | 2.91 | 3.640 (2) | 137 |
| C18—H18A···Cg2iv | 0.93 | 2.96 | 3.652 (2) | 133 |
| C36—H36A···Cg3v | 0.93 | 2.81 | 3.687 (2) | 157 |
| C45—H45B···Cg4vi | 0.96 | 2.90 | 3.760 (3) | 150 |
Hydrogen-bond geometry (Å, °)
Cg1, Cg2, Cg3 and Cg4 are the centroids of the C14–C19, C26–C31, C1–C6 and C32–C37 benzene rings, respectively.
| H⋯ | ||||
|---|---|---|---|---|
| C46—H46 | 0.96 | 2.59 | 3.401 (3) | 142 |
| C11—H11 | 0.93 | 2.91 | 3.640 (2) | 137 |
| C18—H18 | 0.93 | 2.96 | 3.652 (2) | 133 |
| C36—H36 | 0.93 | 2.81 | 3.687 (2) | 157 |
| C45—H45 | 0.96 | 2.90 | 3.760 (3) | 150 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) .