| Literature DB >> 21579650 |
Omar Bin Shawkataly, Imthyaz Ahmed Khan, Chin Sing Yeap, Hoong-Kun Fun.
Abstract
The asymmetric unit of the title triangulo-triruthenium compound, 2[Ru(3)(C(25)H(22)As(2))(C(21)H(21)AsO(3))(CO)(9)]·CH(2)Cl(2), contains one triangulo-triruthenium complex mol-ecule and one half of the dichloro-methane solvent. The dichloro-methane solvent lies across a crystallographic inversion center leading to the mol-ecule being disordered over two positions of equal occupancy. The bis-(diphenyl-arsino)methane ligand bridges an Ru-Ru bond and the monodentate arsine ligand bonds to the third Ru atom. Both the arsine ligands are equatorial with respect to the Ru(3) triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The trimethoxy-phenyl-arsino benzene rings make dihedral angles of 83.01 (8), 65.81 (8) and 76.20 (8)° with each other. The dihedral angles between the two benzene rings are 82.69 (9) and 78.83 (9)° for the two diphenyl-arsino groups. In the crystal packing, the mol-ecules are stacked along the a axis and weak inter-molecular C-H⋯π inter-actions stabilize the crystal structure.Entities:
Year: 2010 PMID: 21579650 PMCID: PMC2979775 DOI: 10.1107/S160053680905315X
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| 2[Ru3(C25H22As2)(C21H21As)(CO)9]·CH2Cl2 | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 9265 reflections | |
| θ = 2.4–35.3° | |
| µ = 2.77 mm−1 | |
| α = 95.997 (1)° | |
| β = 101.259 (1)° | Block, purple |
| γ = 103.451 (1)° | 0.32 × 0.25 × 0.18 mm |
| Bruker SMART APEXII CCD area-detector diffractometer | 19440 independent reflections |
| Radiation source: fine-focus sealed tube | 17122 reflections with |
| graphite | |
| φ and ω scans | θmax = 32.5°, θmin = 2.0° |
| Absorption correction: multi-scan ( | |
| 90976 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 | |
| 19440 reflections | (Δ/σ)max = 0.002 |
| 679 parameters | Δρmax = 0.73 e Å−3 |
| 0 restraints | Δρmin = −1.73 e Å−3 |
| Experimental. The crystal was placed in the cold stream of an Oxford Cyrosystems 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 | 0.748217 (11) | 0.570966 (9) | 0.225464 (6) | 0.01353 (2) | |
| Ru2 | 0.923559 (11) | 0.508430 (9) | 0.327473 (5) | 0.01269 (2) | |
| Ru3 | 0.691165 (11) | 0.354235 (9) | 0.257861 (6) | 0.01359 (2) | |
| As1 | 0.850968 (14) | 0.763617 (12) | 0.262954 (7) | 0.01454 (3) | |
| As2 | 1.092347 (14) | 0.673703 (12) | 0.332126 (7) | 0.01360 (3) | |
| As3 | 0.464318 (14) | 0.251824 (12) | 0.208703 (7) | 0.01442 (3) | |
| O1 | 0.53976 (12) | 0.57997 (11) | 0.30693 (7) | 0.0276 (3) | |
| O2 | 0.57004 (12) | 0.59551 (11) | 0.09838 (6) | 0.0274 (3) | |
| O3 | 0.95014 (12) | 0.53629 (10) | 0.14399 (6) | 0.0227 (2) | |
| O4 | 1.02873 (12) | 0.36228 (10) | 0.23643 (6) | 0.0255 (2) | |
| O5 | 1.03705 (14) | 0.40670 (12) | 0.44375 (7) | 0.0312 (3) | |
| O6 | 0.80068 (12) | 0.63916 (10) | 0.41856 (6) | 0.0243 (2) | |
| O7 | 0.60368 (13) | 0.40703 (10) | 0.38771 (6) | 0.0254 (2) | |
| O8 | 0.80348 (14) | 0.17286 (11) | 0.30517 (7) | 0.0299 (3) | |
| O9 | 0.76267 (13) | 0.31181 (11) | 0.12285 (6) | 0.0281 (3) | |
| O10 | 0.09041 (12) | 0.38956 (11) | −0.00395 (6) | 0.0268 (3) | |
| O11 | 0.38176 (14) | −0.16804 (10) | 0.01920 (6) | 0.0294 (3) | |
| O12 | 0.15856 (13) | 0.08073 (10) | 0.41159 (6) | 0.0268 (3) | |
| C1 | 0.89112 (15) | 0.85813 (13) | 0.19751 (8) | 0.0192 (3) | |
| C2 | 0.92364 (18) | 0.97072 (14) | 0.21647 (10) | 0.0271 (3) | |
| H2A | 0.9295 | 1.0002 | 0.2603 | 0.033* | |
| C3 | 0.9473 (2) | 1.03876 (15) | 0.16951 (11) | 0.0341 (4) | |
| H3A | 0.9688 | 1.1137 | 0.1820 | 0.041* | |
| C4 | 0.9387 (2) | 0.99484 (17) | 0.10422 (10) | 0.0345 (4) | |
| H4A | 0.9549 | 1.0405 | 0.0731 | 0.041* | |
| C5 | 0.9062 (2) | 0.88321 (16) | 0.08523 (10) | 0.0321 (4) | |
| H5A | 0.9003 | 0.8542 | 0.0413 | 0.038* | |
| C6 | 0.88232 (17) | 0.81427 (14) | 0.13187 (8) | 0.0243 (3) | |
| H6A | 0.8606 | 0.7393 | 0.1191 | 0.029* | |
| C7 | 0.75040 (15) | 0.84464 (12) | 0.30631 (8) | 0.0180 (3) | |
| C8 | 0.80015 (17) | 0.91164 (14) | 0.36772 (9) | 0.0246 (3) | |
| H8A | 0.8858 | 0.9186 | 0.3906 | 0.029* | |
| C9 | 0.72189 (19) | 0.96824 (16) | 0.39495 (10) | 0.0296 (4) | |
| H9A | 0.7549 | 1.0124 | 0.4362 | 0.036* | |
| C10 | 0.59524 (18) | 0.95882 (15) | 0.36063 (11) | 0.0300 (4) | |
| H10A | 0.5431 | 0.9968 | 0.3788 | 0.036* | |
| C11 | 0.54584 (17) | 0.89312 (15) | 0.29933 (11) | 0.0300 (4) | |
| H11A | 0.4607 | 0.8874 | 0.2762 | 0.036* | |
| C12 | 0.62267 (16) | 0.83559 (14) | 0.27205 (9) | 0.0245 (3) | |
| H12A | 0.5888 | 0.7910 | 0.2309 | 0.029* | |
| C13 | 1.01597 (14) | 0.79804 (12) | 0.33037 (8) | 0.0175 (3) | |
| H13A | 1.0774 | 0.8594 | 0.3206 | 0.021* | |
| H13B | 1.0000 | 0.8183 | 0.3738 | 0.021* | |
| C14 | 1.22911 (15) | 0.72635 (12) | 0.41276 (7) | 0.0174 (3) | |
| C15 | 1.19085 (17) | 0.72494 (14) | 0.47329 (8) | 0.0230 (3) | |
| H15A | 1.1029 | 0.6990 | 0.4738 | 0.028* | |
| C16 | 1.28408 (19) | 0.76219 (15) | 0.53279 (8) | 0.0281 (4) | |
| H16A | 1.2584 | 0.7620 | 0.5731 | 0.034* | |
| C17 | 1.41483 (19) | 0.79953 (16) | 0.53228 (9) | 0.0314 (4) | |
| H17A | 1.4773 | 0.8230 | 0.5723 | 0.038* | |
| C18 | 1.45289 (19) | 0.80199 (18) | 0.47264 (10) | 0.0360 (4) | |
| H18A | 1.5409 | 0.8284 | 0.4725 | 0.043* | |
| C19 | 1.36012 (17) | 0.76501 (16) | 0.41236 (9) | 0.0284 (4) | |
| H19A | 1.3862 | 0.7663 | 0.3722 | 0.034* | |
| C20 | 1.18625 (14) | 0.68358 (13) | 0.26161 (7) | 0.0171 (3) | |
| C21 | 1.24764 (15) | 0.60231 (13) | 0.24738 (8) | 0.0204 (3) | |
| H21A | 1.2484 | 0.5479 | 0.2737 | 0.024* | |
| C22 | 1.30791 (16) | 0.60245 (15) | 0.19368 (8) | 0.0245 (3) | |
| H22A | 1.3482 | 0.5478 | 0.1840 | 0.029* | |
| C23 | 1.30788 (17) | 0.68386 (17) | 0.15467 (8) | 0.0278 (4) | |
| H23A | 1.3481 | 0.6838 | 0.1188 | 0.033* | |
| C24 | 1.24798 (17) | 0.76539 (16) | 0.16906 (9) | 0.0278 (4) | |
| H24A | 1.2486 | 0.8202 | 0.1429 | 0.033* | |
| C25 | 1.18693 (15) | 0.76580 (14) | 0.22238 (8) | 0.0211 (3) | |
| H25A | 1.1467 | 0.8206 | 0.2318 | 0.025* | |
| C26 | 0.34264 (14) | 0.31040 (12) | 0.15043 (7) | 0.0162 (3) | |
| C27 | 0.38765 (15) | 0.36185 (12) | 0.10008 (8) | 0.0188 (3) | |
| H27A | 0.4766 | 0.3785 | 0.1005 | 0.023* | |
| C28 | 0.30132 (17) | 0.38827 (14) | 0.04953 (8) | 0.0218 (3) | |
| H28A | 0.3323 | 0.4222 | 0.0161 | 0.026* | |
| C29 | 0.16790 (16) | 0.36393 (13) | 0.04880 (8) | 0.0198 (3) | |
| C30 | 0.12182 (16) | 0.31616 (13) | 0.10001 (8) | 0.0204 (3) | |
| H30A | 0.0334 | 0.3024 | 0.1007 | 0.024* | |
| C31 | 0.20998 (15) | 0.28927 (13) | 0.15017 (8) | 0.0191 (3) | |
| H31A | 0.1795 | 0.2566 | 0.1841 | 0.023* | |
| C32 | 0.44377 (15) | 0.11738 (12) | 0.14984 (7) | 0.0172 (3) | |
| C33 | 0.32017 (16) | 0.06402 (13) | 0.10922 (8) | 0.0212 (3) | |
| H33A | 0.2486 | 0.0921 | 0.1116 | 0.025* | |
| C34 | 0.30393 (18) | −0.02992 (13) | 0.06566 (9) | 0.0248 (3) | |
| H34A | 0.2217 | −0.0646 | 0.0387 | 0.030* | |
| C35 | 0.41039 (18) | −0.07291 (13) | 0.06199 (8) | 0.0218 (3) | |
| C36 | 0.53369 (17) | −0.02054 (13) | 0.10135 (8) | 0.0229 (3) | |
| H36A | 0.6053 | −0.0484 | 0.0987 | 0.027* | |
| C37 | 0.54874 (16) | 0.07457 (13) | 0.14493 (8) | 0.0215 (3) | |
| H37A | 0.6313 | 0.1099 | 0.1713 | 0.026* | |
| C38 | 0.36401 (14) | 0.20005 (12) | 0.27262 (7) | 0.0162 (3) | |
| C39 | 0.31161 (16) | 0.26948 (13) | 0.30952 (8) | 0.0206 (3) | |
| H39A | 0.3242 | 0.3416 | 0.3030 | 0.025* | |
| C40 | 0.24104 (17) | 0.23255 (13) | 0.35581 (8) | 0.0222 (3) | |
| H40A | 0.2043 | 0.2790 | 0.3790 | 0.027* | |
| C41 | 0.22564 (15) | 0.12585 (13) | 0.36729 (8) | 0.0195 (3) | |
| C42 | 0.28230 (15) | 0.05689 (13) | 0.33270 (8) | 0.0195 (3) | |
| H42A | 0.2754 | −0.0136 | 0.3417 | 0.023* | |
| C43 | 0.34871 (15) | 0.09347 (12) | 0.28500 (8) | 0.0180 (3) | |
| H43A | 0.3834 | 0.0464 | 0.2610 | 0.022* | |
| C44 | 0.61826 (15) | 0.57114 (13) | 0.27824 (8) | 0.0195 (3) | |
| C45 | 0.63364 (15) | 0.58388 (13) | 0.14722 (8) | 0.0191 (3) | |
| C46 | 0.87797 (15) | 0.54744 (12) | 0.17636 (7) | 0.0184 (3) | |
| C47 | 0.98557 (14) | 0.41806 (13) | 0.26738 (8) | 0.0180 (3) | |
| C48 | 0.99577 (15) | 0.44521 (13) | 0.39973 (8) | 0.0193 (3) | |
| C49 | 0.84055 (14) | 0.58853 (12) | 0.38269 (7) | 0.0173 (3) | |
| C50 | 0.64039 (15) | 0.39241 (12) | 0.34029 (8) | 0.0191 (3) | |
| C51 | 0.75530 (16) | 0.23904 (13) | 0.28797 (8) | 0.0200 (3) | |
| C52 | 0.73926 (15) | 0.33497 (13) | 0.17343 (8) | 0.0198 (3) | |
| C53 | −0.04799 (18) | 0.36350 (16) | −0.00756 (9) | 0.0295 (4) | |
| H53A | −0.0915 | 0.3866 | −0.0464 | 0.044* | |
| H53B | −0.0643 | 0.4001 | 0.0316 | 0.044* | |
| H53C | −0.0807 | 0.2864 | −0.0102 | 0.044* | |
| C54 | 0.4875 (2) | −0.21280 (16) | 0.01151 (10) | 0.0334 (4) | |
| H54A | 0.4543 | −0.2822 | −0.0167 | 0.050* | |
| H54B | 0.5335 | −0.2216 | 0.0544 | 0.050* | |
| H54C | 0.5463 | −0.1649 | −0.0084 | 0.050* | |
| C55 | 0.0980 (2) | 0.14896 (17) | 0.44722 (10) | 0.0350 (4) | |
| H55A | 0.0518 | 0.1084 | 0.4756 | 0.052* | |
| H55B | 0.0375 | 0.1742 | 0.4161 | 0.052* | |
| H55C | 0.1641 | 0.2101 | 0.4738 | 0.052* | |
| Cl1 | 0.62312 (7) | 0.49780 (6) | 0.54517 (3) | 0.05626 (16) | |
| C56 | 0.5351 (4) | 0.5640 (3) | 0.4957 (2) | 0.0337 (8) | 0.50 |
| H56A | 0.5828 | 0.5856 | 0.4626 | 0.040* | 0.50 |
| H56B | 0.5342 | 0.6294 | 0.5225 | 0.040* | 0.50 |
| Ru1 | 0.01293 (5) | 0.01240 (5) | 0.01399 (5) | 0.00233 (4) | 0.00091 (4) | 0.00267 (4) |
| Ru2 | 0.01146 (5) | 0.01378 (5) | 0.01296 (5) | 0.00336 (4) | 0.00268 (3) | 0.00265 (4) |
| Ru3 | 0.01337 (5) | 0.01205 (5) | 0.01495 (5) | 0.00242 (4) | 0.00324 (4) | 0.00227 (4) |
| As1 | 0.01342 (6) | 0.01264 (6) | 0.01655 (7) | 0.00272 (5) | 0.00162 (5) | 0.00260 (5) |
| As2 | 0.01158 (6) | 0.01491 (6) | 0.01367 (6) | 0.00274 (5) | 0.00211 (5) | 0.00245 (5) |
| As3 | 0.01369 (6) | 0.01293 (6) | 0.01654 (7) | 0.00316 (5) | 0.00390 (5) | 0.00164 (5) |
| O1 | 0.0234 (6) | 0.0346 (7) | 0.0321 (7) | 0.0141 (5) | 0.0114 (5) | 0.0130 (5) |
| O2 | 0.0247 (6) | 0.0316 (7) | 0.0235 (6) | 0.0055 (5) | −0.0014 (5) | 0.0109 (5) |
| O3 | 0.0221 (5) | 0.0258 (6) | 0.0201 (5) | 0.0050 (4) | 0.0060 (4) | 0.0041 (4) |
| O4 | 0.0235 (6) | 0.0281 (6) | 0.0275 (6) | 0.0106 (5) | 0.0093 (5) | −0.0001 (5) |
| O5 | 0.0327 (7) | 0.0376 (7) | 0.0278 (6) | 0.0150 (6) | 0.0047 (5) | 0.0159 (6) |
| O6 | 0.0228 (6) | 0.0276 (6) | 0.0225 (6) | 0.0088 (5) | 0.0061 (4) | −0.0021 (5) |
| O7 | 0.0303 (6) | 0.0244 (6) | 0.0229 (6) | 0.0057 (5) | 0.0108 (5) | 0.0035 (5) |
| O8 | 0.0374 (7) | 0.0268 (6) | 0.0316 (7) | 0.0172 (6) | 0.0086 (5) | 0.0103 (5) |
| O9 | 0.0308 (7) | 0.0271 (6) | 0.0225 (6) | −0.0012 (5) | 0.0106 (5) | −0.0023 (5) |
| O10 | 0.0256 (6) | 0.0345 (7) | 0.0203 (6) | 0.0103 (5) | 0.0006 (4) | 0.0072 (5) |
| O11 | 0.0428 (8) | 0.0188 (6) | 0.0239 (6) | 0.0087 (5) | 0.0048 (5) | −0.0046 (5) |
| O12 | 0.0318 (7) | 0.0243 (6) | 0.0263 (6) | 0.0031 (5) | 0.0150 (5) | 0.0061 (5) |
| C1 | 0.0158 (6) | 0.0177 (7) | 0.0235 (7) | 0.0025 (5) | 0.0033 (5) | 0.0072 (5) |
| C2 | 0.0295 (9) | 0.0183 (7) | 0.0322 (9) | 0.0021 (6) | 0.0073 (7) | 0.0064 (6) |
| C3 | 0.0380 (10) | 0.0196 (8) | 0.0442 (11) | 0.0012 (7) | 0.0114 (8) | 0.0132 (8) |
| C4 | 0.0358 (10) | 0.0317 (10) | 0.0367 (10) | 0.0030 (8) | 0.0095 (8) | 0.0189 (8) |
| C5 | 0.0375 (10) | 0.0328 (9) | 0.0252 (8) | 0.0047 (8) | 0.0072 (7) | 0.0114 (7) |
| C6 | 0.0274 (8) | 0.0214 (7) | 0.0233 (8) | 0.0042 (6) | 0.0048 (6) | 0.0065 (6) |
| C7 | 0.0169 (6) | 0.0143 (6) | 0.0240 (7) | 0.0051 (5) | 0.0050 (5) | 0.0048 (5) |
| C8 | 0.0224 (7) | 0.0255 (8) | 0.0258 (8) | 0.0112 (6) | 0.0017 (6) | −0.0004 (6) |
| C9 | 0.0305 (9) | 0.0294 (9) | 0.0307 (9) | 0.0142 (7) | 0.0067 (7) | −0.0019 (7) |
| C10 | 0.0249 (8) | 0.0229 (8) | 0.0472 (11) | 0.0118 (7) | 0.0132 (8) | 0.0055 (7) |
| C11 | 0.0181 (7) | 0.0226 (8) | 0.0485 (11) | 0.0078 (6) | 0.0035 (7) | 0.0034 (7) |
| C12 | 0.0183 (7) | 0.0205 (7) | 0.0322 (9) | 0.0056 (6) | 0.0009 (6) | 0.0006 (6) |
| C13 | 0.0147 (6) | 0.0159 (6) | 0.0197 (7) | 0.0035 (5) | 0.0006 (5) | 0.0007 (5) |
| C14 | 0.0170 (6) | 0.0171 (6) | 0.0155 (6) | 0.0022 (5) | 0.0002 (5) | 0.0026 (5) |
| C15 | 0.0219 (7) | 0.0282 (8) | 0.0188 (7) | 0.0084 (6) | 0.0028 (6) | 0.0020 (6) |
| C16 | 0.0344 (9) | 0.0320 (9) | 0.0165 (7) | 0.0123 (7) | 0.0002 (6) | −0.0002 (6) |
| C17 | 0.0315 (9) | 0.0297 (9) | 0.0232 (8) | 0.0036 (7) | −0.0087 (7) | −0.0015 (7) |
| C18 | 0.0201 (8) | 0.0460 (12) | 0.0313 (9) | −0.0044 (8) | −0.0041 (7) | 0.0080 (8) |
| C19 | 0.0177 (7) | 0.0407 (10) | 0.0216 (8) | −0.0009 (7) | 0.0007 (6) | 0.0078 (7) |
| C20 | 0.0135 (6) | 0.0206 (7) | 0.0157 (6) | 0.0019 (5) | 0.0032 (5) | 0.0026 (5) |
| C21 | 0.0172 (7) | 0.0237 (7) | 0.0214 (7) | 0.0059 (6) | 0.0058 (5) | 0.0047 (6) |
| C22 | 0.0177 (7) | 0.0325 (9) | 0.0221 (7) | 0.0054 (6) | 0.0058 (6) | −0.0013 (6) |
| C23 | 0.0188 (7) | 0.0452 (11) | 0.0180 (7) | 0.0040 (7) | 0.0058 (6) | 0.0052 (7) |
| C24 | 0.0234 (8) | 0.0380 (10) | 0.0228 (8) | 0.0043 (7) | 0.0065 (6) | 0.0143 (7) |
| C25 | 0.0172 (7) | 0.0246 (8) | 0.0209 (7) | 0.0031 (6) | 0.0038 (5) | 0.0070 (6) |
| C26 | 0.0170 (6) | 0.0151 (6) | 0.0166 (6) | 0.0044 (5) | 0.0041 (5) | 0.0019 (5) |
| C27 | 0.0181 (7) | 0.0183 (7) | 0.0201 (7) | 0.0037 (5) | 0.0065 (5) | 0.0022 (5) |
| C28 | 0.0249 (8) | 0.0239 (7) | 0.0177 (7) | 0.0057 (6) | 0.0072 (6) | 0.0046 (6) |
| C29 | 0.0225 (7) | 0.0201 (7) | 0.0164 (6) | 0.0073 (6) | 0.0018 (5) | 0.0017 (5) |
| C30 | 0.0175 (7) | 0.0232 (7) | 0.0213 (7) | 0.0069 (6) | 0.0042 (5) | 0.0038 (6) |
| C31 | 0.0185 (7) | 0.0204 (7) | 0.0204 (7) | 0.0064 (5) | 0.0065 (5) | 0.0060 (5) |
| C32 | 0.0188 (6) | 0.0150 (6) | 0.0174 (6) | 0.0036 (5) | 0.0049 (5) | 0.0016 (5) |
| C33 | 0.0202 (7) | 0.0173 (7) | 0.0240 (7) | 0.0049 (5) | 0.0011 (6) | 0.0009 (6) |
| C34 | 0.0260 (8) | 0.0183 (7) | 0.0250 (8) | 0.0038 (6) | −0.0021 (6) | 0.0008 (6) |
| C35 | 0.0322 (8) | 0.0149 (6) | 0.0182 (7) | 0.0047 (6) | 0.0073 (6) | 0.0020 (5) |
| C36 | 0.0257 (8) | 0.0190 (7) | 0.0256 (8) | 0.0066 (6) | 0.0101 (6) | 0.0014 (6) |
| C37 | 0.0193 (7) | 0.0190 (7) | 0.0251 (7) | 0.0042 (5) | 0.0059 (6) | −0.0008 (6) |
| C38 | 0.0151 (6) | 0.0154 (6) | 0.0172 (6) | 0.0026 (5) | 0.0036 (5) | 0.0021 (5) |
| C39 | 0.0238 (7) | 0.0158 (6) | 0.0234 (7) | 0.0048 (5) | 0.0087 (6) | 0.0041 (5) |
| C40 | 0.0251 (8) | 0.0204 (7) | 0.0225 (7) | 0.0062 (6) | 0.0091 (6) | 0.0023 (6) |
| C41 | 0.0177 (7) | 0.0203 (7) | 0.0186 (7) | 0.0002 (5) | 0.0051 (5) | 0.0031 (5) |
| C42 | 0.0194 (7) | 0.0156 (6) | 0.0219 (7) | 0.0017 (5) | 0.0038 (5) | 0.0036 (5) |
| C43 | 0.0164 (6) | 0.0161 (6) | 0.0211 (7) | 0.0040 (5) | 0.0038 (5) | 0.0031 (5) |
| C44 | 0.0171 (6) | 0.0201 (7) | 0.0210 (7) | 0.0053 (5) | 0.0013 (5) | 0.0074 (5) |
| C45 | 0.0180 (7) | 0.0176 (7) | 0.0208 (7) | 0.0032 (5) | 0.0033 (5) | 0.0042 (5) |
| C46 | 0.0192 (7) | 0.0166 (6) | 0.0171 (6) | 0.0026 (5) | 0.0005 (5) | 0.0037 (5) |
| C47 | 0.0151 (6) | 0.0191 (7) | 0.0194 (7) | 0.0042 (5) | 0.0029 (5) | 0.0036 (5) |
| C48 | 0.0180 (7) | 0.0205 (7) | 0.0199 (7) | 0.0049 (5) | 0.0052 (5) | 0.0042 (5) |
| C49 | 0.0150 (6) | 0.0183 (7) | 0.0169 (6) | 0.0023 (5) | 0.0019 (5) | 0.0032 (5) |
| C50 | 0.0203 (7) | 0.0143 (6) | 0.0216 (7) | 0.0033 (5) | 0.0035 (5) | 0.0032 (5) |
| C51 | 0.0214 (7) | 0.0198 (7) | 0.0193 (7) | 0.0048 (6) | 0.0061 (5) | 0.0031 (5) |
| C52 | 0.0165 (6) | 0.0188 (7) | 0.0209 (7) | 0.0003 (5) | 0.0031 (5) | 0.0018 (5) |
| C53 | 0.0239 (8) | 0.0348 (9) | 0.0262 (8) | 0.0080 (7) | −0.0030 (6) | 0.0049 (7) |
| C54 | 0.0530 (12) | 0.0236 (8) | 0.0268 (9) | 0.0149 (8) | 0.0134 (8) | −0.0011 (7) |
| C55 | 0.0458 (11) | 0.0329 (10) | 0.0303 (9) | 0.0063 (8) | 0.0239 (8) | 0.0037 (8) |
| Cl1 | 0.0548 (4) | 0.0621 (4) | 0.0490 (3) | 0.0249 (3) | 0.0048 (3) | −0.0132 (3) |
| C56 | 0.035 (2) | 0.0289 (18) | 0.039 (2) | 0.0057 (15) | 0.0161 (16) | 0.0012 (16) |
| Ru1—C45 | 1.8834 (16) | C15—C16 | 1.388 (2) |
| Ru1—C44 | 1.9369 (16) | C15—H15A | 0.9300 |
| Ru1—C46 | 1.9402 (16) | C16—C17 | 1.380 (3) |
| Ru1—As1 | 2.43231 (19) | C16—H16A | 0.9300 |
| Ru1—Ru2 | 2.85874 (16) | C17—C18 | 1.377 (3) |
| Ru1—Ru3 | 2.88091 (16) | C17—H17A | 0.9300 |
| Ru2—C48 | 1.8958 (16) | C18—C19 | 1.397 (2) |
| Ru2—C47 | 1.9288 (16) | C18—H18A | 0.9300 |
| Ru2—C49 | 1.9344 (15) | C19—H19A | 0.9300 |
| Ru2—As2 | 2.42827 (18) | C20—C21 | 1.393 (2) |
| Ru2—Ru3 | 2.81795 (16) | C20—C25 | 1.396 (2) |
| Ru3—C51 | 1.8825 (16) | C21—C22 | 1.393 (2) |
| Ru3—C52 | 1.9265 (16) | C21—H21A | 0.9300 |
| Ru3—C50 | 1.9413 (16) | C22—C23 | 1.385 (3) |
| Ru3—As3 | 2.44608 (19) | C22—H22A | 0.9300 |
| As1—C7 | 1.9404 (15) | C23—C24 | 1.386 (3) |
| As1—C1 | 1.9546 (15) | C23—H23A | 0.9300 |
| As1—C13 | 1.9594 (15) | C24—C25 | 1.391 (2) |
| As2—C20 | 1.9309 (15) | C24—H24A | 0.9300 |
| As2—C14 | 1.9380 (15) | C25—H25A | 0.9300 |
| As2—C13 | 1.9562 (15) | C26—C31 | 1.389 (2) |
| As3—C26 | 1.9408 (15) | C26—C27 | 1.396 (2) |
| As3—C38 | 1.9413 (14) | C27—C28 | 1.384 (2) |
| As3—C32 | 1.9450 (15) | C27—H27A | 0.9300 |
| O1—C44 | 1.143 (2) | C28—C29 | 1.394 (2) |
| O2—C45 | 1.1502 (19) | C28—H28A | 0.9300 |
| O3—C46 | 1.1442 (19) | C29—C30 | 1.395 (2) |
| O4—C47 | 1.1458 (19) | C30—C31 | 1.393 (2) |
| O5—C48 | 1.145 (2) | C30—H30A | 0.9300 |
| O6—C49 | 1.1449 (19) | C31—H31A | 0.9300 |
| O7—C50 | 1.1419 (19) | C32—C37 | 1.382 (2) |
| O8—C51 | 1.145 (2) | C32—C33 | 1.402 (2) |
| O9—C52 | 1.150 (2) | C33—C34 | 1.381 (2) |
| O10—C29 | 1.3582 (19) | C33—H33A | 0.9300 |
| O10—C53 | 1.434 (2) | C34—C35 | 1.394 (2) |
| O11—C35 | 1.3639 (19) | C34—H34A | 0.9300 |
| O11—C54 | 1.416 (2) | C35—C36 | 1.388 (2) |
| O12—C41 | 1.3688 (19) | C36—C37 | 1.396 (2) |
| O12—C55 | 1.433 (2) | C36—H36A | 0.9300 |
| C1—C6 | 1.393 (2) | C37—H37A | 0.9300 |
| C1—C2 | 1.397 (2) | C38—C43 | 1.394 (2) |
| C2—C3 | 1.394 (3) | C38—C39 | 1.398 (2) |
| C2—H2A | 0.9300 | C39—C40 | 1.390 (2) |
| C3—C4 | 1.387 (3) | C39—H39A | 0.9300 |
| C3—H3A | 0.9300 | C40—C41 | 1.390 (2) |
| C4—C5 | 1.385 (3) | C40—H40A | 0.9300 |
| C4—H4A | 0.9300 | C41—C42 | 1.399 (2) |
| C5—C6 | 1.396 (2) | C42—C43 | 1.387 (2) |
| C5—H5A | 0.9300 | C42—H42A | 0.9300 |
| C6—H6A | 0.9300 | C43—H43A | 0.9300 |
| C7—C8 | 1.391 (2) | C53—H53A | 0.9600 |
| C7—C12 | 1.391 (2) | C53—H53B | 0.9600 |
| C8—C9 | 1.392 (2) | C53—H53C | 0.9600 |
| C8—H8A | 0.9300 | C54—H54A | 0.9600 |
| C9—C10 | 1.381 (3) | C54—H54B | 0.9600 |
| C9—H9A | 0.9300 | C54—H54C | 0.9600 |
| C10—C11 | 1.382 (3) | C55—H55A | 0.9600 |
| C10—H10A | 0.9300 | C55—H55B | 0.9600 |
| C11—C12 | 1.388 (2) | C55—H55C | 0.9600 |
| C11—H11A | 0.9300 | Cl1—C56 | 1.687 (4) |
| C12—H12A | 0.9300 | Cl1—C56i | 1.707 (4) |
| C13—H13A | 0.9700 | C56—C56i | 1.682 (8) |
| C13—H13B | 0.9700 | C56—Cl1i | 1.707 (4) |
| C14—C19 | 1.384 (2) | C56—H56A | 0.9601 |
| C14—C15 | 1.395 (2) | C56—H56B | 0.9599 |
| C45—Ru1—C44 | 92.98 (7) | C18—C17—H17A | 120.0 |
| C45—Ru1—C46 | 91.58 (7) | C16—C17—H17A | 120.0 |
| C44—Ru1—C46 | 170.65 (6) | C17—C18—C19 | 120.41 (18) |
| C45—Ru1—As1 | 97.62 (5) | C17—C18—H18A | 119.8 |
| C44—Ru1—As1 | 92.39 (5) | C19—C18—H18A | 119.8 |
| C46—Ru1—As1 | 95.09 (4) | C14—C19—C18 | 119.64 (17) |
| C45—Ru1—Ru2 | 167.46 (5) | C14—C19—H19A | 120.2 |
| C44—Ru1—Ru2 | 93.41 (4) | C18—C19—H19A | 120.2 |
| C46—Ru1—Ru2 | 80.64 (4) | C21—C20—C25 | 119.72 (14) |
| As1—Ru1—Ru2 | 92.883 (6) | C21—C20—As2 | 118.52 (11) |
| C45—Ru1—Ru3 | 112.52 (5) | C25—C20—As2 | 121.64 (12) |
| C44—Ru1—Ru3 | 76.37 (5) | C22—C21—C20 | 120.06 (15) |
| C46—Ru1—Ru3 | 94.34 (4) | C22—C21—H21A | 120.0 |
| As1—Ru1—Ru3 | 148.088 (6) | C20—C21—H21A | 120.0 |
| Ru2—Ru1—Ru3 | 58.806 (4) | C23—C22—C21 | 120.08 (16) |
| C48—Ru2—C47 | 90.02 (7) | C23—C22—H22A | 120.0 |
| C48—Ru2—C49 | 92.26 (6) | C21—C22—H22A | 120.0 |
| C47—Ru2—C49 | 173.16 (6) | C22—C23—C24 | 120.02 (15) |
| C48—Ru2—As2 | 103.42 (5) | C22—C23—H23A | 120.0 |
| C47—Ru2—As2 | 95.92 (5) | C24—C23—H23A | 120.0 |
| C49—Ru2—As2 | 89.82 (4) | C23—C24—C25 | 120.41 (16) |
| C48—Ru2—Ru3 | 106.08 (5) | C23—C24—H24A | 119.8 |
| C47—Ru2—Ru3 | 77.30 (4) | C25—C24—H24A | 119.8 |
| C49—Ru2—Ru3 | 95.87 (4) | C24—C25—C20 | 119.71 (16) |
| As2—Ru2—Ru3 | 149.666 (6) | C24—C25—H25A | 120.1 |
| C48—Ru2—Ru1 | 164.14 (5) | C20—C25—H25A | 120.1 |
| C47—Ru2—Ru1 | 95.47 (4) | C31—C26—C27 | 118.82 (14) |
| C49—Ru2—Ru1 | 80.70 (4) | C31—C26—As3 | 123.03 (11) |
| As2—Ru2—Ru1 | 90.831 (6) | C27—C26—As3 | 117.42 (11) |
| Ru3—Ru2—Ru1 | 60.990 (4) | C28—C27—C26 | 120.76 (14) |
| C51—Ru3—C52 | 93.67 (7) | C28—C27—H27A | 119.6 |
| C51—Ru3—C50 | 93.66 (7) | C26—C27—H27A | 119.6 |
| C52—Ru3—C50 | 172.38 (7) | C27—C28—C29 | 119.88 (15) |
| C51—Ru3—As3 | 98.10 (5) | C27—C28—H28A | 120.1 |
| C52—Ru3—As3 | 91.69 (5) | C29—C28—H28A | 120.1 |
| C50—Ru3—As3 | 89.31 (5) | O10—C29—C28 | 115.59 (14) |
| C51—Ru3—Ru2 | 91.66 (5) | O10—C29—C30 | 124.26 (15) |
| C52—Ru3—Ru2 | 97.43 (4) | C28—C29—C30 | 120.15 (14) |
| C50—Ru3—Ru2 | 80.30 (5) | C31—C30—C29 | 119.14 (14) |
| As3—Ru3—Ru2 | 166.195 (7) | C31—C30—H30A | 120.4 |
| C51—Ru3—Ru1 | 148.00 (5) | C29—C30—H30A | 120.4 |
| C52—Ru3—Ru1 | 76.72 (5) | C26—C31—C30 | 121.20 (14) |
| C50—Ru3—Ru1 | 95.92 (4) | C26—C31—H31A | 119.4 |
| As3—Ru3—Ru1 | 112.451 (6) | C30—C31—H31A | 119.4 |
| Ru2—Ru3—Ru1 | 60.204 (4) | C37—C32—C33 | 118.66 (14) |
| C7—As1—C1 | 98.44 (7) | C37—C32—As3 | 121.90 (12) |
| C7—As1—C13 | 101.20 (6) | C33—C32—As3 | 119.40 (11) |
| C1—As1—C13 | 103.56 (6) | C34—C33—C32 | 120.45 (15) |
| C7—As1—Ru1 | 116.04 (4) | C34—C33—H33A | 119.8 |
| C1—As1—Ru1 | 119.41 (5) | C32—C33—H33A | 119.8 |
| C13—As1—Ru1 | 115.32 (4) | C33—C34—C35 | 120.18 (16) |
| C20—As2—C14 | 103.87 (6) | C33—C34—H34A | 119.9 |
| C20—As2—C13 | 103.95 (7) | C35—C34—H34A | 119.9 |
| C14—As2—C13 | 99.26 (6) | O11—C35—C36 | 124.82 (16) |
| C20—As2—Ru2 | 118.46 (5) | O11—C35—C34 | 115.04 (15) |
| C14—As2—Ru2 | 118.68 (4) | C36—C35—C34 | 120.13 (15) |
| C13—As2—Ru2 | 110.06 (4) | C35—C36—C37 | 119.06 (15) |
| C26—As3—C38 | 102.24 (6) | C35—C36—H36A | 120.5 |
| C26—As3—C32 | 97.67 (6) | C37—C36—H36A | 120.5 |
| C38—As3—C32 | 101.39 (6) | C32—C37—C36 | 121.52 (15) |
| C26—As3—Ru3 | 122.47 (4) | C32—C37—H37A | 119.2 |
| C38—As3—Ru3 | 114.66 (4) | C36—C37—H37A | 119.2 |
| C32—As3—Ru3 | 115.14 (5) | C43—C38—C39 | 118.62 (14) |
| C29—O10—C53 | 117.47 (14) | C43—C38—As3 | 120.13 (11) |
| C35—O11—C54 | 117.28 (15) | C39—C38—As3 | 121.17 (11) |
| C41—O12—C55 | 116.78 (14) | C40—C39—C38 | 121.08 (14) |
| C6—C1—C2 | 119.99 (15) | C40—C39—H39A | 119.5 |
| C6—C1—As1 | 120.64 (12) | C38—C39—H39A | 119.5 |
| C2—C1—As1 | 119.32 (13) | C41—C40—C39 | 119.66 (15) |
| C3—C2—C1 | 119.77 (18) | C41—C40—H40A | 120.2 |
| C3—C2—H2A | 120.1 | C39—C40—H40A | 120.2 |
| C1—C2—H2A | 120.1 | O12—C41—C40 | 124.78 (15) |
| C4—C3—C2 | 120.10 (18) | O12—C41—C42 | 115.45 (14) |
| C4—C3—H3A | 120.0 | C40—C41—C42 | 119.76 (14) |
| C2—C3—H3A | 120.0 | C43—C42—C41 | 120.07 (14) |
| C5—C4—C3 | 120.27 (17) | C43—C42—H42A | 120.0 |
| C5—C4—H4A | 119.9 | C41—C42—H42A | 120.0 |
| C3—C4—H4A | 119.9 | C42—C43—C38 | 120.71 (14) |
| C4—C5—C6 | 120.12 (18) | C42—C43—H43A | 119.6 |
| C4—C5—H5A | 119.9 | C38—C43—H43A | 119.6 |
| C6—C5—H5A | 119.9 | O1—C44—Ru1 | 173.41 (14) |
| C1—C6—C5 | 119.75 (16) | O2—C45—Ru1 | 175.91 (14) |
| C1—C6—H6A | 120.1 | O3—C46—Ru1 | 175.41 (13) |
| C5—C6—H6A | 120.1 | O4—C47—Ru2 | 174.12 (14) |
| C8—C7—C12 | 119.57 (15) | O5—C48—Ru2 | 178.63 (14) |
| C8—C7—As1 | 123.70 (12) | O6—C49—Ru2 | 174.76 (13) |
| C12—C7—As1 | 116.71 (12) | O7—C50—Ru3 | 174.62 (14) |
| C7—C8—C9 | 120.07 (16) | O8—C51—Ru3 | 174.61 (15) |
| C7—C8—H8A | 120.0 | O9—C52—Ru3 | 172.70 (14) |
| C9—C8—H8A | 120.0 | O10—C53—H53A | 109.5 |
| C10—C9—C8 | 119.99 (17) | O10—C53—H53B | 109.5 |
| C10—C9—H9A | 120.0 | H53A—C53—H53B | 109.5 |
| C8—C9—H9A | 120.0 | O10—C53—H53C | 109.5 |
| C9—C10—C11 | 120.13 (17) | H53A—C53—H53C | 109.5 |
| C9—C10—H10A | 119.9 | H53B—C53—H53C | 109.5 |
| C11—C10—H10A | 119.9 | O11—C54—H54A | 109.5 |
| C10—C11—C12 | 120.32 (17) | O11—C54—H54B | 109.5 |
| C10—C11—H11A | 119.8 | H54A—C54—H54B | 109.5 |
| C12—C11—H11A | 119.8 | O11—C54—H54C | 109.5 |
| C11—C12—C7 | 119.92 (16) | H54A—C54—H54C | 109.5 |
| C11—C12—H12A | 120.0 | H54B—C54—H54C | 109.5 |
| C7—C12—H12A | 120.0 | O12—C55—H55A | 109.5 |
| As2—C13—As1 | 111.05 (7) | O12—C55—H55B | 109.5 |
| As2—C13—H13A | 109.4 | H55A—C55—H55B | 109.5 |
| As1—C13—H13A | 109.4 | O12—C55—H55C | 109.5 |
| As2—C13—H13B | 109.4 | H55A—C55—H55C | 109.5 |
| As1—C13—H13B | 109.4 | H55B—C55—H55C | 109.5 |
| H13A—C13—H13B | 108.0 | C56—Cl1—C56i | 59.4 (2) |
| C19—C14—C15 | 119.75 (14) | C56i—C56—Cl1 | 60.9 (3) |
| C19—C14—As2 | 123.05 (12) | C56i—C56—Cl1i | 59.7 (3) |
| C15—C14—As2 | 117.19 (11) | Cl1—C56—Cl1i | 120.6 (2) |
| C16—C15—C14 | 119.96 (16) | C56i—C56—H56A | 126.6 |
| C16—C15—H15A | 120.0 | Cl1—C56—H56A | 107.2 |
| C14—C15—H15A | 120.0 | Cl1i—C56—H56A | 107.2 |
| C17—C16—C15 | 120.17 (17) | C56i—C56—H56B | 126.6 |
| C17—C16—H16A | 119.9 | Cl1—C56—H56B | 107.2 |
| C15—C16—H16A | 119.9 | Cl1i—C56—H56B | 107.2 |
| C18—C17—C16 | 120.05 (16) | H56A—C56—H56B | 106.8 |
| C45—Ru1—Ru2—C48 | −86.2 (3) | C7—As1—C1—C6 | −137.28 (14) |
| C44—Ru1—Ru2—C48 | 34.25 (18) | C13—As1—C1—C6 | 118.97 (14) |
| C46—Ru1—Ru2—C48 | −138.49 (18) | Ru1—As1—C1—C6 | −10.90 (15) |
| As1—Ru1—Ru2—C48 | 126.82 (18) | C7—As1—C1—C2 | 40.08 (14) |
| Ru3—Ru1—Ru2—C48 | −37.56 (18) | C13—As1—C1—C2 | −63.68 (14) |
| C45—Ru1—Ru2—C47 | 23.5 (2) | Ru1—As1—C1—C2 | 166.45 (12) |
| C44—Ru1—Ru2—C47 | 144.02 (7) | C6—C1—C2—C3 | 0.0 (3) |
| C46—Ru1—Ru2—C47 | −28.72 (6) | As1—C1—C2—C3 | −177.41 (15) |
| As1—Ru1—Ru2—C47 | −123.41 (5) | C1—C2—C3—C4 | −0.1 (3) |
| Ru3—Ru1—Ru2—C47 | 72.21 (5) | C2—C3—C4—C5 | 0.3 (3) |
| C45—Ru1—Ru2—C49 | −150.8 (2) | C3—C4—C5—C6 | −0.2 (3) |
| C44—Ru1—Ru2—C49 | −30.26 (7) | C2—C1—C6—C5 | 0.0 (3) |
| C46—Ru1—Ru2—C49 | 157.00 (6) | As1—C1—C6—C5 | 177.38 (14) |
| As1—Ru1—Ru2—C49 | 62.30 (4) | C4—C5—C6—C1 | 0.1 (3) |
| Ru3—Ru1—Ru2—C49 | −102.08 (4) | C1—As1—C7—C8 | −102.24 (14) |
| C45—Ru1—Ru2—As2 | 119.5 (2) | C13—As1—C7—C8 | 3.48 (15) |
| C44—Ru1—Ru2—As2 | −119.95 (5) | Ru1—As1—C7—C8 | 129.08 (13) |
| C46—Ru1—Ru2—As2 | 67.31 (5) | C1—As1—C7—C12 | 76.16 (13) |
| As1—Ru1—Ru2—As2 | −27.382 (7) | C13—As1—C7—C12 | −178.11 (13) |
| Ru3—Ru1—Ru2—As2 | 168.231 (6) | Ru1—As1—C7—C12 | −52.52 (13) |
| C45—Ru1—Ru2—Ru3 | −48.7 (2) | C12—C7—C8—C9 | 0.7 (3) |
| C44—Ru1—Ru2—Ru3 | 71.82 (5) | As1—C7—C8—C9 | 179.07 (14) |
| C46—Ru1—Ru2—Ru3 | −100.92 (5) | C7—C8—C9—C10 | −0.7 (3) |
| As1—Ru1—Ru2—Ru3 | 164.387 (6) | C8—C9—C10—C11 | 0.1 (3) |
| C48—Ru2—Ru3—C51 | −26.04 (7) | C9—C10—C11—C12 | 0.5 (3) |
| C47—Ru2—Ru3—C51 | 60.26 (7) | C10—C11—C12—C7 | −0.5 (3) |
| C49—Ru2—Ru3—C51 | −120.10 (6) | C8—C7—C12—C11 | −0.1 (3) |
| As2—Ru2—Ru3—C51 | 140.13 (5) | As1—C7—C12—C11 | −178.59 (14) |
| Ru1—Ru2—Ru3—C51 | 163.95 (5) | C20—As2—C13—As1 | 83.43 (8) |
| C48—Ru2—Ru3—C52 | −119.96 (7) | C14—As2—C13—As1 | −169.67 (8) |
| C47—Ru2—Ru3—C52 | −33.67 (7) | Ru2—As2—C13—As1 | −44.41 (8) |
| C49—Ru2—Ru3—C52 | 145.97 (7) | C7—As1—C13—As2 | 144.77 (8) |
| As2—Ru2—Ru3—C52 | 46.21 (5) | C1—As1—C13—As2 | −113.60 (8) |
| Ru1—Ru2—Ru3—C52 | 70.03 (5) | Ru1—As1—C13—As2 | 18.69 (9) |
| C48—Ru2—Ru3—C50 | 67.39 (7) | C20—As2—C14—C19 | 2.79 (16) |
| C47—Ru2—Ru3—C50 | 153.69 (7) | C13—As2—C14—C19 | −104.18 (15) |
| C49—Ru2—Ru3—C50 | −26.67 (6) | Ru2—As2—C14—C19 | 136.78 (14) |
| As2—Ru2—Ru3—C50 | −126.44 (5) | C20—As2—C14—C15 | −177.63 (12) |
| Ru1—Ru2—Ru3—C50 | −102.62 (5) | C13—As2—C14—C15 | 75.40 (13) |
| C48—Ru2—Ru3—As3 | 109.10 (6) | Ru2—As2—C14—C15 | −43.63 (14) |
| C47—Ru2—Ru3—As3 | −164.60 (5) | C19—C14—C15—C16 | 0.0 (3) |
| C49—Ru2—Ru3—As3 | 15.04 (5) | As2—C14—C15—C16 | −179.62 (13) |
| As2—Ru2—Ru3—As3 | −84.73 (3) | C14—C15—C16—C17 | −0.7 (3) |
| Ru1—Ru2—Ru3—As3 | −60.91 (3) | C15—C16—C17—C18 | 1.3 (3) |
| C48—Ru2—Ru3—Ru1 | 170.01 (5) | C16—C17—C18—C19 | −1.2 (3) |
| C47—Ru2—Ru3—Ru1 | −103.69 (5) | C15—C14—C19—C18 | 0.2 (3) |
| C49—Ru2—Ru3—Ru1 | 75.95 (4) | As2—C14—C19—C18 | 179.75 (16) |
| As2—Ru2—Ru3—Ru1 | −23.816 (12) | C17—C18—C19—C14 | 0.4 (3) |
| C45—Ru1—Ru3—C51 | 138.41 (10) | C14—As2—C20—C21 | 79.70 (13) |
| C44—Ru1—Ru3—C51 | −134.04 (10) | C13—As2—C20—C21 | −176.88 (12) |
| C46—Ru1—Ru3—C51 | 44.88 (10) | Ru2—As2—C20—C21 | −54.42 (13) |
| As1—Ru1—Ru3—C51 | −61.99 (9) | C14—As2—C20—C25 | −104.31 (13) |
| Ru2—Ru1—Ru3—C51 | −31.43 (9) | C13—As2—C20—C25 | −0.89 (14) |
| C45—Ru1—Ru3—C52 | 63.08 (7) | Ru2—As2—C20—C25 | 121.56 (12) |
| C44—Ru1—Ru3—C52 | 150.64 (7) | C25—C20—C21—C22 | −0.8 (2) |
| C46—Ru1—Ru3—C52 | −30.44 (7) | As2—C20—C21—C22 | 175.23 (12) |
| As1—Ru1—Ru3—C52 | −137.32 (5) | C20—C21—C22—C23 | 0.5 (2) |
| Ru2—Ru1—Ru3—C52 | −106.75 (5) | C21—C22—C23—C24 | 0.1 (3) |
| C45—Ru1—Ru3—C50 | −114.91 (7) | C22—C23—C24—C25 | −0.4 (3) |
| C44—Ru1—Ru3—C50 | −27.36 (7) | C23—C24—C25—C20 | 0.1 (3) |
| C46—Ru1—Ru3—C50 | 151.56 (6) | C21—C20—C25—C24 | 0.5 (2) |
| As1—Ru1—Ru3—C50 | 44.69 (5) | As2—C20—C25—C24 | −175.41 (13) |
| Ru2—Ru1—Ru3—C50 | 75.25 (5) | C38—As3—C26—C31 | −14.08 (14) |
| C45—Ru1—Ru3—As3 | −23.20 (5) | C32—As3—C26—C31 | 89.40 (13) |
| C44—Ru1—Ru3—As3 | 64.35 (5) | Ru3—As3—C26—C31 | −144.18 (11) |
| C46—Ru1—Ru3—As3 | −116.73 (4) | C38—As3—C26—C27 | 175.92 (12) |
| As1—Ru1—Ru3—As3 | 136.396 (12) | C32—As3—C26—C27 | −80.60 (12) |
| Ru2—Ru1—Ru3—As3 | 166.961 (7) | Ru3—As3—C26—C27 | 45.83 (13) |
| C45—Ru1—Ru3—Ru2 | 169.84 (5) | C31—C26—C27—C28 | −2.1 (2) |
| C44—Ru1—Ru3—Ru2 | −102.61 (5) | As3—C26—C27—C28 | 168.36 (12) |
| C46—Ru1—Ru3—Ru2 | 76.31 (4) | C26—C27—C28—C29 | 0.3 (2) |
| As1—Ru1—Ru3—Ru2 | −30.564 (12) | C53—O10—C29—C28 | 178.52 (15) |
| C45—Ru1—As1—C7 | 78.69 (7) | C53—O10—C29—C30 | −1.3 (2) |
| C44—Ru1—As1—C7 | −14.63 (7) | C27—C28—C29—O10 | −177.84 (15) |
| C46—Ru1—As1—C7 | 170.98 (7) | C27—C28—C29—C30 | 2.0 (2) |
| Ru2—Ru1—As1—C7 | −108.17 (5) | O10—C29—C30—C31 | 177.28 (15) |
| Ru3—Ru1—As1—C7 | −82.35 (5) | C28—C29—C30—C31 | −2.6 (2) |
| C45—Ru1—As1—C1 | −38.88 (7) | C27—C26—C31—C30 | 1.5 (2) |
| C44—Ru1—As1—C1 | −132.21 (7) | As3—C26—C31—C30 | −168.36 (12) |
| C46—Ru1—As1—C1 | 53.41 (7) | C29—C30—C31—C26 | 0.8 (2) |
| Ru2—Ru1—As1—C1 | 134.26 (5) | C26—As3—C32—C37 | 141.49 (13) |
| Ru3—Ru1—As1—C1 | 160.07 (5) | C38—As3—C32—C37 | −114.31 (13) |
| C45—Ru1—As1—C13 | −163.25 (7) | Ru3—As3—C32—C37 | 10.07 (15) |
| C44—Ru1—As1—C13 | 103.43 (7) | C26—As3—C32—C33 | −36.08 (13) |
| C46—Ru1—As1—C13 | −70.96 (7) | C38—As3—C32—C33 | 68.13 (13) |
| Ru2—Ru1—As1—C13 | 9.89 (5) | Ru3—As3—C32—C33 | −167.49 (11) |
| Ru3—Ru1—As1—C13 | 35.71 (5) | C37—C32—C33—C34 | 0.5 (2) |
| C48—Ru2—As2—C20 | 111.52 (7) | As3—C32—C33—C34 | 178.18 (13) |
| C47—Ru2—As2—C20 | 20.08 (7) | C32—C33—C34—C35 | 0.4 (3) |
| C49—Ru2—As2—C20 | −156.20 (7) | C54—O11—C35—C36 | −4.1 (2) |
| Ru3—Ru2—As2—C20 | −54.83 (5) | C54—O11—C35—C34 | 177.41 (15) |
| Ru1—Ru2—As2—C20 | −75.51 (5) | C33—C34—C35—O11 | 177.55 (15) |
| C48—Ru2—As2—C14 | −15.89 (7) | C33—C34—C35—C36 | −1.0 (3) |
| C47—Ru2—As2—C14 | −107.32 (7) | O11—C35—C36—C37 | −177.68 (16) |
| C49—Ru2—As2—C14 | 76.40 (7) | C34—C35—C36—C37 | 0.8 (2) |
| Ru3—Ru2—As2—C14 | 177.77 (5) | C33—C32—C37—C36 | −0.8 (2) |
| Ru1—Ru2—As2—C14 | 157.09 (5) | As3—C32—C37—C36 | −178.41 (13) |
| C48—Ru2—As2—C13 | −129.15 (7) | C35—C36—C37—C32 | 0.2 (3) |
| C47—Ru2—As2—C13 | 139.41 (7) | C26—As3—C38—C43 | 127.25 (12) |
| C49—Ru2—As2—C13 | −36.87 (7) | C32—As3—C38—C43 | 26.71 (13) |
| Ru3—Ru2—As2—C13 | 64.51 (5) | Ru3—As3—C38—C43 | −97.99 (12) |
| Ru1—Ru2—As2—C13 | 43.83 (5) | C26—As3—C38—C39 | −56.06 (14) |
| C51—Ru3—As3—C26 | −166.95 (7) | C32—As3—C38—C39 | −156.61 (13) |
| C52—Ru3—As3—C26 | −73.00 (7) | Ru3—As3—C38—C39 | 78.69 (13) |
| C50—Ru3—As3—C26 | 99.45 (7) | C43—C38—C39—C40 | −2.5 (2) |
| Ru2—Ru3—As3—C26 | 58.46 (6) | As3—C38—C39—C40 | −179.28 (13) |
| Ru1—Ru3—As3—C26 | 3.32 (5) | C38—C39—C40—C41 | 2.1 (3) |
| C51—Ru3—As3—C38 | 68.39 (7) | C55—O12—C41—C40 | 1.5 (2) |
| C52—Ru3—As3—C38 | 162.35 (7) | C55—O12—C41—C42 | −179.25 (16) |
| C50—Ru3—As3—C38 | −25.20 (7) | C39—C40—C41—O12 | 179.91 (16) |
| Ru2—Ru3—As3—C38 | −66.19 (6) | C39—C40—C41—C42 | 0.6 (2) |
| Ru1—Ru3—As3—C38 | −121.33 (5) | O12—C41—C42—C43 | 177.84 (14) |
| C51—Ru3—As3—C32 | −48.70 (7) | C40—C41—C42—C43 | −2.8 (2) |
| C52—Ru3—As3—C32 | 45.25 (7) | C41—C42—C43—C38 | 2.3 (2) |
| C50—Ru3—As3—C32 | −142.30 (7) | C39—C38—C43—C42 | 0.3 (2) |
| Ru2—Ru3—As3—C32 | 176.71 (5) | As3—C38—C43—C42 | 177.09 (12) |
| Ru1—Ru3—As3—C32 | 121.57 (5) | C56i—Cl1—C56—Cl1i | −0.003 (2) |
| Cg1 Cg2 and Cg3 are the centroids of the C38–C43, C26–C31 and C32–C37 benzene rings, respectively. |
| H··· | ||||
| C17—H17A···Cg1ii | 0.93 | 2.92 | 3.813 (2) | 161 |
| C22—H22A···Cg2iii | 0.93 | 2.89 | 3.5863 (19) | 133 |
| C54—H54C···Cg3iv | 0.96 | 2.87 | 3.710 (2) | 147 |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| C17—H17 | 0.93 | 2.92 | 3.813 (2) | 161 |
| C22—H22 | 0.93 | 2.89 | 3.5863 (19) | 133 |
| C54—H54 | 0.96 | 2.87 | 3.710 (2) | 147 |
Symmetry codes: (i) ; (ii) ; (iii) . Cg1 Cg2 and Cg3 are the centroids of the C38–C43, C26–C31 and C32–C37 benzene rings, respectively.