| Literature DB >> 21579930 |
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(21)H(21)AsO(3))(C(25)H(22)P(2))(CO)(9)]·CH(2)Cl(2), contains one triangulo-triruthenium complex mol-ecule and one half-mol-ecule 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-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. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three arsine-substituted benzene rings make dihedral angles of 82.00 (6), 76.67 (7) and 66.09 (6)° with each other. The dihedral angles between the two benzene rings are 80.12 (8) and 78.34 (7)° for the two diphenyl-phosphino groups. In the crystal packing, the mol-ecules are linked together into chains down the b axis via inter-molecular C-H⋯O hydrogen bonds. An inter-molecular C-H⋯O hydrogen bond and weak inter-molecular C-H⋯π inter-actions further stabilize the crystal structure.Entities:
Year: 2009 PMID: 21579930 PMCID: PMC2980253 DOI: 10.1107/S1600536809052088
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| 2[Ru3(C21H21AsO3)(C25H22P2)(CO)9]·CH2Cl2 | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 9697 reflections | |
| θ = 2.8–35.1° | |
| µ = 1.64 mm−1 | |
| α = 95.523 (1)° | |
| β = 101.315 (1)° | Block, purple |
| γ = 103.929 (1)° | 0.30 × 0.23 × 0.14 mm |
| Bruker SMART APEXII CCD area-detector diffractometer | 23203 independent reflections |
| Radiation source: fine-focus sealed tube | 20247 reflections with |
| graphite | |
| φ and ω scans | θmax = 35.0°, θmin = 1.8° |
| Absorption correction: multi-scan ( | |
| 123575 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 | |
| 23203 reflections | (Δ/σ)max = 0.003 |
| 679 parameters | Δρmax = 1.72 e Å−3 |
| 0 restraints | Δρmin = −1.34 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 | 0.745666 (9) | 0.425733 (8) | 0.272810 (5) | 0.01139 (2) | |
| Ru2 | 0.569657 (9) | 0.487278 (8) | 0.171185 (4) | 0.01062 (2) | |
| Ru3 | 0.803319 (9) | 0.646604 (8) | 0.240008 (5) | 0.01147 (2) | |
| As1 | 1.032151 (12) | 0.748971 (10) | 0.288763 (6) | 0.01240 (2) | |
| P1 | 0.64526 (3) | 0.23960 (3) | 0.236633 (15) | 0.01201 (5) | |
| P2 | 0.41178 (3) | 0.32412 (3) | 0.168781 (15) | 0.01140 (5) | |
| O1 | 0.54704 (10) | 0.46246 (9) | 0.35615 (5) | 0.01989 (18) | |
| O2 | 0.92704 (11) | 0.39895 (10) | 0.39911 (5) | 0.0257 (2) | |
| O3 | 0.95575 (10) | 0.42132 (10) | 0.19116 (6) | 0.0241 (2) | |
| O4 | 0.69735 (10) | 0.36155 (9) | 0.07987 (5) | 0.02031 (18) | |
| O5 | 0.45036 (12) | 0.58679 (10) | 0.05376 (6) | 0.0284 (2) | |
| O6 | 0.46711 (10) | 0.63687 (9) | 0.26185 (5) | 0.0227 (2) | |
| O7 | 0.88918 (11) | 0.59722 (9) | 0.10904 (5) | 0.0227 (2) | |
| O8 | 0.68903 (12) | 0.83005 (9) | 0.19351 (6) | 0.0267 (2) | |
| O9 | 0.73330 (11) | 0.68897 (9) | 0.37569 (5) | 0.0252 (2) | |
| O10 | 1.12273 (12) | 1.16961 (9) | 0.48187 (5) | 0.0266 (2) | |
| O11 | 1.40724 (11) | 0.61008 (10) | 0.50258 (5) | 0.0236 (2) | |
| O12 | 1.34237 (11) | 0.92350 (9) | 0.08579 (5) | 0.0238 (2) | |
| C1 | 0.60776 (12) | 0.14917 (10) | 0.29888 (6) | 0.0155 (2) | |
| C2 | 0.61938 (14) | 0.19130 (12) | 0.36533 (7) | 0.0200 (2) | |
| H2A | 0.6434 | 0.2670 | 0.3788 | 0.024* | |
| C3 | 0.59509 (17) | 0.12028 (14) | 0.41183 (8) | 0.0268 (3) | |
| H3A | 0.6027 | 0.1488 | 0.4561 | 0.032* | |
| C4 | 0.55954 (17) | 0.00719 (14) | 0.39210 (9) | 0.0297 (3) | |
| H4A | 0.5440 | −0.0399 | 0.4232 | 0.036* | |
| C5 | 0.54714 (17) | −0.03567 (13) | 0.32580 (9) | 0.0282 (3) | |
| H5A | 0.5230 | −0.1114 | 0.3126 | 0.034* | |
| C6 | 0.57086 (15) | 0.03478 (11) | 0.27945 (8) | 0.0220 (3) | |
| H6A | 0.5622 | 0.0059 | 0.2352 | 0.026* | |
| C7 | 0.74231 (12) | 0.16477 (10) | 0.19620 (6) | 0.0144 (2) | |
| C8 | 0.86801 (13) | 0.16990 (12) | 0.23303 (7) | 0.0207 (2) | |
| H8A | 0.8992 | 0.2122 | 0.2751 | 0.025* | |
| C9 | 0.94680 (14) | 0.11242 (12) | 0.20732 (8) | 0.0245 (3) | |
| H9A | 1.0302 | 0.1162 | 0.2323 | 0.029* | |
| C10 | 0.90165 (14) | 0.04942 (12) | 0.14450 (8) | 0.0233 (3) | |
| H10A | 0.9546 | 0.0110 | 0.1274 | 0.028* | |
| C11 | 0.77749 (15) | 0.04389 (13) | 0.10737 (8) | 0.0246 (3) | |
| H11A | 0.7473 | 0.0022 | 0.0651 | 0.030* | |
| C12 | 0.69770 (14) | 0.10064 (12) | 0.13319 (7) | 0.0207 (2) | |
| H12A | 0.6139 | 0.0958 | 0.1082 | 0.025* | |
| C13 | 0.48897 (12) | 0.20925 (10) | 0.17294 (6) | 0.01391 (19) | |
| H13A | 0.5057 | 0.1893 | 0.1295 | 0.017* | |
| H13B | 0.4274 | 0.1462 | 0.1824 | 0.017* | |
| C14 | 0.28467 (12) | 0.27167 (10) | 0.09186 (6) | 0.0140 (2) | |
| C15 | 0.32348 (13) | 0.27282 (12) | 0.03100 (6) | 0.0189 (2) | |
| H15A | 0.4117 | 0.3006 | 0.0307 | 0.023* | |
| C16 | 0.23111 (15) | 0.23281 (13) | −0.02891 (7) | 0.0229 (3) | |
| H16A | 0.2579 | 0.2328 | −0.0691 | 0.027* | |
| C17 | 0.09873 (15) | 0.19283 (12) | −0.02904 (7) | 0.0231 (3) | |
| H17A | 0.0368 | 0.1672 | −0.0692 | 0.028* | |
| C18 | 0.05952 (14) | 0.19133 (13) | 0.03066 (8) | 0.0252 (3) | |
| H18A | −0.0290 | 0.1641 | 0.0305 | 0.030* | |
| C19 | 0.15155 (13) | 0.23028 (12) | 0.09126 (7) | 0.0206 (2) | |
| H19A | 0.1242 | 0.2287 | 0.1313 | 0.025* | |
| C20 | 0.32108 (12) | 0.31633 (10) | 0.23455 (6) | 0.01380 (19) | |
| C21 | 0.25630 (12) | 0.39752 (11) | 0.24622 (6) | 0.0165 (2) | |
| H21A | 0.2544 | 0.4506 | 0.2182 | 0.020* | |
| C22 | 0.19488 (13) | 0.39905 (12) | 0.29952 (7) | 0.0202 (2) | |
| H22A | 0.1528 | 0.4536 | 0.3072 | 0.024* | |
| C23 | 0.19606 (14) | 0.31958 (14) | 0.34120 (7) | 0.0230 (3) | |
| H23A | 0.1559 | 0.3213 | 0.3771 | 0.028* | |
| C24 | 0.25741 (14) | 0.23753 (13) | 0.32909 (7) | 0.0222 (3) | |
| H24A | 0.2571 | 0.1836 | 0.3566 | 0.027* | |
| C25 | 0.31950 (12) | 0.23542 (11) | 0.27597 (6) | 0.0170 (2) | |
| H25A | 0.3601 | 0.1799 | 0.2681 | 0.020* | |
| C26 | 1.05575 (12) | 0.88441 (10) | 0.34835 (6) | 0.0149 (2) | |
| C27 | 0.95099 (13) | 0.92839 (11) | 0.35364 (7) | 0.0183 (2) | |
| H27A | 0.8679 | 0.8939 | 0.3269 | 0.022* | |
| C28 | 0.96792 (14) | 1.02354 (11) | 0.39841 (7) | 0.0201 (2) | |
| H28A | 0.8968 | 1.0520 | 0.4015 | 0.024* | |
| C29 | 1.09228 (15) | 1.07508 (11) | 0.43817 (7) | 0.0190 (2) | |
| C30 | 1.19835 (15) | 1.03087 (11) | 0.43365 (7) | 0.0213 (2) | |
| H30A | 1.2813 | 1.0647 | 0.4608 | 0.026* | |
| C31 | 1.18005 (13) | 0.93698 (11) | 0.38893 (7) | 0.0189 (2) | |
| H31A | 1.2511 | 0.9085 | 0.3858 | 0.023* | |
| C32 | 1.15368 (12) | 0.68892 (10) | 0.34692 (6) | 0.0140 (2) | |
| C33 | 1.10840 (13) | 0.63630 (11) | 0.39765 (6) | 0.0167 (2) | |
| H33A | 1.0190 | 0.6188 | 0.3972 | 0.020* | |
| C34 | 1.19494 (14) | 0.60997 (12) | 0.44847 (7) | 0.0191 (2) | |
| H34A | 1.1638 | 0.5755 | 0.4821 | 0.023* | |
| C35 | 1.32949 (13) | 0.63521 (11) | 0.44929 (6) | 0.0176 (2) | |
| C36 | 1.37556 (13) | 0.68384 (11) | 0.39775 (6) | 0.0173 (2) | |
| H36A | 1.4643 | 0.6981 | 0.3971 | 0.021* | |
| C37 | 1.28696 (13) | 0.71086 (11) | 0.34721 (7) | 0.0166 (2) | |
| H37A | 1.3177 | 0.7442 | 0.3131 | 0.020* | |
| C38 | 1.13298 (12) | 0.80171 (10) | 0.22457 (6) | 0.0145 (2) | |
| C39 | 1.18482 (14) | 0.73120 (10) | 0.18772 (7) | 0.0176 (2) | |
| H39A | 1.1714 | 0.6582 | 0.1944 | 0.021* | |
| C40 | 1.25609 (14) | 0.76895 (11) | 0.14126 (7) | 0.0195 (2) | |
| H40A | 1.2924 | 0.7220 | 0.1181 | 0.023* | |
| C41 | 1.27291 (13) | 0.87730 (11) | 0.12957 (6) | 0.0172 (2) | |
| C42 | 1.21673 (13) | 0.94699 (11) | 0.16395 (7) | 0.0170 (2) | |
| H42A | 1.2245 | 1.0184 | 0.1548 | 0.020* | |
| C43 | 1.14927 (12) | 0.90978 (10) | 0.21176 (6) | 0.0158 (2) | |
| H43A | 1.1146 | 0.9573 | 0.2355 | 0.019* | |
| C44 | 0.61781 (13) | 0.45018 (10) | 0.32303 (6) | 0.0154 (2) | |
| C45 | 0.86226 (13) | 0.41157 (11) | 0.35056 (7) | 0.0173 (2) | |
| C46 | 0.87634 (13) | 0.42870 (11) | 0.21981 (7) | 0.0173 (2) | |
| C47 | 0.65515 (12) | 0.41014 (10) | 0.11587 (6) | 0.0150 (2) | |
| C48 | 0.49368 (13) | 0.54928 (11) | 0.09827 (7) | 0.0171 (2) | |
| C49 | 0.50943 (12) | 0.57944 (11) | 0.23128 (6) | 0.0161 (2) | |
| C50 | 0.85260 (13) | 0.61005 (10) | 0.15679 (6) | 0.0164 (2) | |
| C51 | 0.73810 (13) | 0.76296 (11) | 0.21037 (6) | 0.0172 (2) | |
| C52 | 0.75643 (13) | 0.66540 (11) | 0.32505 (7) | 0.0177 (2) | |
| C53 | 1.01782 (19) | 1.21524 (13) | 0.49108 (8) | 0.0299 (3) | |
| H53A | 1.0525 | 1.2839 | 0.5207 | 0.045* | |
| H53B | 0.9577 | 1.1652 | 0.5100 | 0.045* | |
| H53C | 0.9724 | 1.2275 | 0.4488 | 0.045* | |
| C54 | 1.54628 (15) | 0.63830 (14) | 0.50655 (8) | 0.0258 (3) | |
| H54A | 1.5902 | 0.6165 | 0.5461 | 0.039* | |
| H54B | 1.5782 | 0.7163 | 0.5083 | 0.039* | |
| H54C | 1.5636 | 0.6010 | 0.4679 | 0.039* | |
| C55 | 1.40600 (18) | 0.85522 (14) | 0.05196 (8) | 0.0302 (3) | |
| H55A | 1.4553 | 0.8970 | 0.0245 | 0.045* | |
| H55B | 1.3408 | 0.7934 | 0.0244 | 0.045* | |
| H55C | 1.4645 | 0.8296 | 0.0843 | 0.045* | |
| Cl1 | 0.88282 (6) | 0.50832 (5) | −0.04776 (3) | 0.04631 (12) | |
| C56 | 1.0352 (3) | 0.5652 (2) | −0.00469 (16) | 0.0247 (5) | 0.50 |
| H56A | 1.0344 | 0.6309 | 0.0223 | 0.030* | 0.50 |
| H56B | 1.0877 | 0.5875 | −0.0361 | 0.030* | 0.50 |
| Ru1 | 0.01110 (4) | 0.01066 (4) | 0.01140 (4) | 0.00242 (3) | 0.00058 (3) | 0.00214 (3) |
| Ru2 | 0.00987 (4) | 0.01158 (4) | 0.01061 (4) | 0.00317 (3) | 0.00215 (3) | 0.00225 (3) |
| Ru3 | 0.01149 (4) | 0.01044 (4) | 0.01217 (4) | 0.00238 (3) | 0.00266 (3) | 0.00171 (3) |
| As1 | 0.01191 (5) | 0.01124 (5) | 0.01406 (5) | 0.00301 (4) | 0.00338 (4) | 0.00119 (4) |
| P1 | 0.01127 (12) | 0.01126 (12) | 0.01308 (12) | 0.00303 (10) | 0.00155 (10) | 0.00214 (10) |
| P2 | 0.01008 (12) | 0.01277 (12) | 0.01112 (12) | 0.00306 (10) | 0.00179 (9) | 0.00197 (10) |
| O1 | 0.0203 (4) | 0.0230 (5) | 0.0168 (4) | 0.0054 (4) | 0.0056 (3) | 0.0029 (3) |
| O2 | 0.0234 (5) | 0.0291 (5) | 0.0211 (5) | 0.0048 (4) | −0.0027 (4) | 0.0092 (4) |
| O3 | 0.0196 (5) | 0.0311 (5) | 0.0276 (5) | 0.0119 (4) | 0.0094 (4) | 0.0126 (4) |
| O4 | 0.0191 (4) | 0.0240 (5) | 0.0181 (4) | 0.0076 (4) | 0.0047 (4) | −0.0011 (4) |
| O5 | 0.0297 (6) | 0.0364 (6) | 0.0242 (5) | 0.0152 (5) | 0.0046 (4) | 0.0154 (5) |
| O6 | 0.0209 (5) | 0.0241 (5) | 0.0250 (5) | 0.0086 (4) | 0.0085 (4) | −0.0008 (4) |
| O7 | 0.0276 (5) | 0.0223 (5) | 0.0198 (4) | 0.0059 (4) | 0.0102 (4) | 0.0029 (4) |
| O8 | 0.0343 (6) | 0.0234 (5) | 0.0278 (5) | 0.0160 (5) | 0.0071 (5) | 0.0086 (4) |
| O9 | 0.0283 (5) | 0.0246 (5) | 0.0196 (5) | −0.0005 (4) | 0.0099 (4) | −0.0018 (4) |
| O10 | 0.0374 (6) | 0.0177 (5) | 0.0217 (5) | 0.0076 (4) | 0.0035 (4) | −0.0054 (4) |
| O11 | 0.0220 (5) | 0.0315 (5) | 0.0177 (4) | 0.0100 (4) | 0.0005 (4) | 0.0071 (4) |
| O12 | 0.0273 (5) | 0.0229 (5) | 0.0234 (5) | 0.0034 (4) | 0.0135 (4) | 0.0064 (4) |
| C1 | 0.0132 (5) | 0.0152 (5) | 0.0178 (5) | 0.0030 (4) | 0.0026 (4) | 0.0054 (4) |
| C2 | 0.0221 (6) | 0.0189 (6) | 0.0187 (6) | 0.0040 (5) | 0.0042 (5) | 0.0058 (4) |
| C3 | 0.0313 (8) | 0.0284 (7) | 0.0205 (6) | 0.0045 (6) | 0.0063 (6) | 0.0104 (5) |
| C4 | 0.0332 (8) | 0.0267 (7) | 0.0303 (8) | 0.0035 (6) | 0.0096 (6) | 0.0162 (6) |
| C5 | 0.0326 (8) | 0.0175 (6) | 0.0340 (8) | 0.0021 (6) | 0.0090 (6) | 0.0101 (6) |
| C6 | 0.0247 (6) | 0.0156 (5) | 0.0249 (6) | 0.0024 (5) | 0.0065 (5) | 0.0052 (5) |
| C7 | 0.0132 (5) | 0.0124 (5) | 0.0182 (5) | 0.0040 (4) | 0.0038 (4) | 0.0028 (4) |
| C8 | 0.0153 (5) | 0.0195 (6) | 0.0256 (6) | 0.0071 (5) | −0.0004 (5) | −0.0015 (5) |
| C9 | 0.0147 (5) | 0.0211 (6) | 0.0369 (8) | 0.0082 (5) | 0.0019 (5) | −0.0007 (5) |
| C10 | 0.0202 (6) | 0.0187 (6) | 0.0335 (7) | 0.0085 (5) | 0.0094 (5) | 0.0016 (5) |
| C11 | 0.0250 (7) | 0.0256 (7) | 0.0243 (6) | 0.0124 (6) | 0.0044 (5) | −0.0024 (5) |
| C12 | 0.0195 (6) | 0.0232 (6) | 0.0199 (6) | 0.0105 (5) | 0.0017 (5) | −0.0011 (5) |
| C13 | 0.0128 (5) | 0.0126 (5) | 0.0150 (5) | 0.0034 (4) | 0.0008 (4) | 0.0002 (4) |
| C14 | 0.0133 (5) | 0.0142 (5) | 0.0133 (5) | 0.0029 (4) | 0.0010 (4) | 0.0018 (4) |
| C15 | 0.0168 (5) | 0.0245 (6) | 0.0146 (5) | 0.0058 (5) | 0.0021 (4) | 0.0012 (4) |
| C16 | 0.0248 (6) | 0.0285 (7) | 0.0138 (5) | 0.0082 (5) | 0.0009 (5) | 0.0001 (5) |
| C17 | 0.0224 (6) | 0.0228 (6) | 0.0179 (6) | 0.0039 (5) | −0.0054 (5) | −0.0012 (5) |
| C18 | 0.0157 (6) | 0.0306 (7) | 0.0225 (6) | −0.0011 (5) | −0.0026 (5) | 0.0030 (5) |
| C19 | 0.0137 (5) | 0.0266 (6) | 0.0180 (6) | 0.0006 (5) | 0.0012 (4) | 0.0040 (5) |
| C20 | 0.0110 (4) | 0.0169 (5) | 0.0126 (5) | 0.0025 (4) | 0.0019 (4) | 0.0025 (4) |
| C21 | 0.0145 (5) | 0.0190 (5) | 0.0170 (5) | 0.0051 (4) | 0.0047 (4) | 0.0030 (4) |
| C22 | 0.0146 (5) | 0.0260 (6) | 0.0194 (6) | 0.0050 (5) | 0.0051 (4) | −0.0011 (5) |
| C23 | 0.0162 (6) | 0.0363 (8) | 0.0158 (5) | 0.0043 (5) | 0.0057 (4) | 0.0035 (5) |
| C24 | 0.0182 (6) | 0.0309 (7) | 0.0177 (6) | 0.0036 (5) | 0.0053 (5) | 0.0103 (5) |
| C25 | 0.0136 (5) | 0.0202 (6) | 0.0174 (5) | 0.0037 (4) | 0.0035 (4) | 0.0061 (4) |
| C26 | 0.0159 (5) | 0.0130 (5) | 0.0155 (5) | 0.0035 (4) | 0.0037 (4) | 0.0011 (4) |
| C27 | 0.0168 (5) | 0.0173 (5) | 0.0201 (6) | 0.0046 (4) | 0.0041 (4) | −0.0008 (4) |
| C28 | 0.0226 (6) | 0.0169 (5) | 0.0224 (6) | 0.0065 (5) | 0.0082 (5) | 0.0004 (5) |
| C29 | 0.0279 (6) | 0.0135 (5) | 0.0154 (5) | 0.0049 (5) | 0.0061 (5) | 0.0011 (4) |
| C30 | 0.0226 (6) | 0.0159 (5) | 0.0213 (6) | 0.0035 (5) | −0.0004 (5) | −0.0009 (5) |
| C31 | 0.0178 (5) | 0.0146 (5) | 0.0223 (6) | 0.0044 (4) | 0.0015 (5) | 0.0002 (4) |
| C32 | 0.0139 (5) | 0.0133 (5) | 0.0153 (5) | 0.0041 (4) | 0.0037 (4) | 0.0020 (4) |
| C33 | 0.0163 (5) | 0.0177 (5) | 0.0163 (5) | 0.0036 (4) | 0.0050 (4) | 0.0023 (4) |
| C34 | 0.0199 (6) | 0.0227 (6) | 0.0159 (5) | 0.0050 (5) | 0.0063 (4) | 0.0050 (4) |
| C35 | 0.0188 (5) | 0.0189 (6) | 0.0144 (5) | 0.0061 (4) | 0.0017 (4) | 0.0013 (4) |
| C36 | 0.0155 (5) | 0.0195 (6) | 0.0176 (5) | 0.0061 (4) | 0.0034 (4) | 0.0033 (4) |
| C37 | 0.0157 (5) | 0.0176 (5) | 0.0185 (5) | 0.0058 (4) | 0.0059 (4) | 0.0044 (4) |
| C38 | 0.0141 (5) | 0.0135 (5) | 0.0155 (5) | 0.0028 (4) | 0.0039 (4) | 0.0024 (4) |
| C39 | 0.0220 (6) | 0.0132 (5) | 0.0190 (5) | 0.0040 (4) | 0.0081 (5) | 0.0031 (4) |
| C40 | 0.0225 (6) | 0.0172 (5) | 0.0203 (6) | 0.0049 (5) | 0.0090 (5) | 0.0020 (4) |
| C41 | 0.0159 (5) | 0.0181 (5) | 0.0160 (5) | 0.0011 (4) | 0.0040 (4) | 0.0024 (4) |
| C42 | 0.0166 (5) | 0.0150 (5) | 0.0186 (5) | 0.0023 (4) | 0.0035 (4) | 0.0043 (4) |
| C43 | 0.0148 (5) | 0.0139 (5) | 0.0190 (5) | 0.0042 (4) | 0.0043 (4) | 0.0024 (4) |
| C44 | 0.0160 (5) | 0.0139 (5) | 0.0144 (5) | 0.0028 (4) | 0.0002 (4) | 0.0023 (4) |
| C45 | 0.0164 (5) | 0.0156 (5) | 0.0187 (5) | 0.0027 (4) | 0.0021 (4) | 0.0042 (4) |
| C46 | 0.0149 (5) | 0.0178 (5) | 0.0187 (5) | 0.0042 (4) | 0.0010 (4) | 0.0063 (4) |
| C47 | 0.0119 (5) | 0.0164 (5) | 0.0156 (5) | 0.0026 (4) | 0.0017 (4) | 0.0030 (4) |
| C48 | 0.0157 (5) | 0.0187 (5) | 0.0179 (5) | 0.0055 (4) | 0.0043 (4) | 0.0044 (4) |
| C49 | 0.0148 (5) | 0.0175 (5) | 0.0160 (5) | 0.0041 (4) | 0.0034 (4) | 0.0036 (4) |
| C50 | 0.0175 (5) | 0.0132 (5) | 0.0182 (5) | 0.0037 (4) | 0.0036 (4) | 0.0023 (4) |
| C51 | 0.0181 (5) | 0.0171 (5) | 0.0166 (5) | 0.0042 (4) | 0.0052 (4) | 0.0019 (4) |
| C52 | 0.0162 (5) | 0.0166 (5) | 0.0178 (5) | 0.0004 (4) | 0.0035 (4) | 0.0017 (4) |
| C53 | 0.0457 (10) | 0.0229 (7) | 0.0245 (7) | 0.0160 (7) | 0.0098 (7) | −0.0016 (5) |
| C54 | 0.0207 (6) | 0.0306 (7) | 0.0235 (7) | 0.0081 (6) | −0.0024 (5) | 0.0035 (6) |
| C55 | 0.0376 (9) | 0.0287 (7) | 0.0267 (7) | 0.0046 (6) | 0.0191 (7) | 0.0027 (6) |
| Cl1 | 0.0587 (3) | 0.0458 (3) | 0.0360 (2) | 0.0284 (2) | 0.0026 (2) | −0.00689 (19) |
| C56 | 0.0269 (14) | 0.0214 (12) | 0.0279 (14) | 0.0061 (11) | 0.0127 (11) | 0.0010 (10) |
| Ru1—C45 | 1.8852 (13) | C15—C16 | 1.3886 (19) |
| Ru1—C46 | 1.9379 (14) | C15—H15A | 0.9300 |
| Ru1—C44 | 1.9391 (13) | C16—C17 | 1.389 (2) |
| Ru1—P1 | 2.3250 (3) | C16—H16A | 0.9300 |
| Ru1—Ru2 | 2.83841 (13) | C17—C18 | 1.379 (2) |
| Ru1—Ru3 | 2.89355 (13) | C17—H17A | 0.9300 |
| Ru2—C48 | 1.8988 (13) | C18—C19 | 1.3958 (19) |
| Ru2—C49 | 1.9295 (13) | C18—H18A | 0.9300 |
| Ru2—C47 | 1.9322 (13) | C19—H19A | 0.9300 |
| Ru2—P2 | 2.3266 (3) | C20—C25 | 1.3963 (17) |
| Ru2—Ru3 | 2.82943 (14) | C20—C21 | 1.4014 (18) |
| Ru3—C51 | 1.8822 (13) | C21—C22 | 1.3909 (18) |
| Ru3—C52 | 1.9286 (13) | C21—H21A | 0.9300 |
| Ru3—C50 | 1.9417 (13) | C22—C23 | 1.387 (2) |
| Ru3—As1 | 2.44581 (16) | C22—H22A | 0.9300 |
| As1—C38 | 1.9399 (12) | C23—C24 | 1.387 (2) |
| As1—C32 | 1.9405 (12) | C23—H23A | 0.9300 |
| As1—C26 | 1.9458 (12) | C24—C25 | 1.3926 (19) |
| P1—C7 | 1.8300 (12) | C24—H24A | 0.9300 |
| P1—C1 | 1.8421 (13) | C25—H25A | 0.9300 |
| P1—C13 | 1.8499 (12) | C26—C27 | 1.3884 (18) |
| P2—C20 | 1.8175 (12) | C26—C31 | 1.3980 (18) |
| P2—C14 | 1.8272 (12) | C27—C28 | 1.3984 (18) |
| P2—C13 | 1.8416 (12) | C27—H27A | 0.9300 |
| O1—C44 | 1.1449 (16) | C28—C29 | 1.390 (2) |
| O2—C45 | 1.1515 (16) | C28—H28A | 0.9300 |
| O3—C46 | 1.1457 (17) | C29—C30 | 1.400 (2) |
| O4—C47 | 1.1473 (15) | C30—C31 | 1.3827 (19) |
| O5—C48 | 1.1446 (16) | C30—H30A | 0.9300 |
| O6—C49 | 1.1483 (16) | C31—H31A | 0.9300 |
| O7—C50 | 1.1427 (16) | C32—C37 | 1.3900 (17) |
| O8—C51 | 1.1502 (17) | C32—C33 | 1.3991 (17) |
| O9—C52 | 1.1500 (16) | C33—C34 | 1.3824 (19) |
| O10—C29 | 1.3580 (16) | C33—H33A | 0.9300 |
| O10—C53 | 1.420 (2) | C34—C35 | 1.3995 (19) |
| O11—C35 | 1.3584 (16) | C34—H34A | 0.9300 |
| O11—C54 | 1.4335 (19) | C35—C36 | 1.3943 (18) |
| O12—C41 | 1.3689 (16) | C36—C37 | 1.3958 (18) |
| O12—C55 | 1.4353 (19) | C36—H36A | 0.9300 |
| C1—C2 | 1.3940 (19) | C37—H37A | 0.9300 |
| C1—C6 | 1.4031 (19) | C38—C43 | 1.3960 (17) |
| C2—C3 | 1.397 (2) | C38—C39 | 1.4010 (17) |
| C2—H2A | 0.9300 | C39—C40 | 1.3914 (18) |
| C3—C4 | 1.389 (2) | C39—H39A | 0.9300 |
| C3—H3A | 0.9300 | C40—C41 | 1.3922 (19) |
| C4—C5 | 1.392 (2) | C40—H40A | 0.9300 |
| C4—H4A | 0.9300 | C41—C42 | 1.3973 (19) |
| C5—C6 | 1.389 (2) | C42—C43 | 1.3886 (18) |
| C5—H5A | 0.9300 | C42—H42A | 0.9300 |
| C6—H6A | 0.9300 | C43—H43A | 0.9300 |
| C7—C12 | 1.3956 (18) | C53—H53A | 0.9600 |
| C7—C8 | 1.3969 (18) | C53—H53B | 0.9600 |
| C8—C9 | 1.3884 (19) | C53—H53C | 0.9600 |
| C8—H8A | 0.9300 | C54—H54A | 0.9600 |
| C9—C10 | 1.387 (2) | C54—H54B | 0.9600 |
| C9—H9A | 0.9300 | C54—H54C | 0.9600 |
| C10—C11 | 1.384 (2) | C55—H55A | 0.9600 |
| C10—H10A | 0.9300 | C55—H55B | 0.9600 |
| C11—C12 | 1.3925 (19) | C55—H55C | 0.9600 |
| C11—H11A | 0.9300 | Cl1—C56 | 1.651 (3) |
| C12—H12A | 0.9300 | Cl1—C56i | 1.741 (3) |
| C13—H13A | 0.9700 | C56—C56i | 1.689 (6) |
| C13—H13B | 0.9700 | C56—Cl1i | 1.741 (3) |
| C14—C19 | 1.3969 (18) | C56—H56A | 0.9600 |
| C14—C15 | 1.4000 (18) | C56—H56B | 0.9602 |
| C45—Ru1—C46 | 92.43 (6) | C18—C17—H17A | 120.1 |
| C45—Ru1—C44 | 91.81 (5) | C16—C17—H17A | 120.1 |
| C46—Ru1—C44 | 169.56 (5) | C17—C18—C19 | 120.60 (14) |
| C45—Ru1—P1 | 97.70 (4) | C17—C18—H18A | 119.7 |
| C46—Ru1—P1 | 93.18 (4) | C19—C18—H18A | 119.7 |
| C44—Ru1—P1 | 95.70 (4) | C18—C19—C14 | 120.04 (13) |
| C45—Ru1—Ru2 | 168.35 (4) | C18—C19—H19A | 120.0 |
| C46—Ru1—Ru2 | 93.26 (4) | C14—C19—H19A | 120.0 |
| C44—Ru1—Ru2 | 80.96 (4) | C25—C20—C21 | 118.98 (11) |
| P1—Ru1—Ru2 | 92.128 (8) | C25—C20—P2 | 122.11 (10) |
| C45—Ru1—Ru3 | 112.70 (4) | C21—C20—P2 | 118.83 (9) |
| C46—Ru1—Ru3 | 75.74 (4) | C22—C21—C20 | 120.29 (12) |
| C44—Ru1—Ru3 | 93.83 (4) | C22—C21—H21A | 119.9 |
| P1—Ru1—Ru3 | 147.777 (9) | C20—C21—H21A | 119.9 |
| Ru2—Ru1—Ru3 | 59.149 (3) | C23—C22—C21 | 120.30 (13) |
| C48—Ru2—C49 | 89.82 (5) | C23—C22—H22A | 119.8 |
| C48—Ru2—C47 | 92.03 (5) | C21—C22—H22A | 119.8 |
| C49—Ru2—C47 | 171.56 (5) | C24—C23—C22 | 119.75 (13) |
| C48—Ru2—P2 | 103.83 (4) | C24—C23—H23A | 120.1 |
| C49—Ru2—P2 | 97.23 (4) | C22—C23—H23A | 120.1 |
| C47—Ru2—P2 | 90.32 (4) | C23—C24—C25 | 120.39 (13) |
| C48—Ru2—Ru3 | 106.51 (4) | C23—C24—H24A | 119.8 |
| C49—Ru2—Ru3 | 76.49 (4) | C25—C24—H24A | 119.8 |
| C47—Ru2—Ru3 | 95.10 (4) | C24—C25—C20 | 120.25 (13) |
| P2—Ru2—Ru3 | 148.940 (9) | C24—C25—H25A | 119.9 |
| C48—Ru2—Ru1 | 164.95 (4) | C20—C25—H25A | 119.9 |
| C49—Ru2—Ru1 | 95.44 (4) | C27—C26—C31 | 118.76 (12) |
| C47—Ru2—Ru1 | 80.81 (4) | C27—C26—As1 | 121.69 (10) |
| P2—Ru2—Ru1 | 89.521 (8) | C31—C26—As1 | 119.50 (9) |
| Ru3—Ru2—Ru1 | 61.397 (3) | C26—C27—C28 | 121.30 (13) |
| C51—Ru3—C52 | 93.26 (6) | C26—C27—H27A | 119.3 |
| C51—Ru3—C50 | 93.52 (5) | C28—C27—H27A | 119.3 |
| C52—Ru3—C50 | 172.95 (5) | C29—C28—C27 | 119.21 (13) |
| C51—Ru3—As1 | 98.90 (4) | C29—C28—H28A | 120.4 |
| C52—Ru3—As1 | 91.63 (4) | C27—C28—H28A | 120.4 |
| C50—Ru3—As1 | 89.25 (4) | O10—C29—C28 | 125.03 (13) |
| C51—Ru3—Ru2 | 92.28 (4) | O10—C29—C30 | 115.01 (13) |
| C52—Ru3—Ru2 | 97.53 (4) | C28—C29—C30 | 119.95 (12) |
| C50—Ru3—Ru2 | 80.25 (4) | C31—C30—C29 | 120.11 (13) |
| As1—Ru3—Ru2 | 165.117 (5) | C31—C30—H30A | 119.9 |
| C51—Ru3—Ru1 | 147.69 (4) | C29—C30—H30A | 119.9 |
| C52—Ru3—Ru1 | 76.85 (4) | C30—C31—C26 | 120.66 (13) |
| C50—Ru3—Ru1 | 96.33 (4) | C30—C31—H31A | 119.7 |
| As1—Ru3—Ru1 | 111.900 (5) | C26—C31—H31A | 119.7 |
| Ru2—Ru3—Ru1 | 59.454 (3) | C37—C32—C33 | 118.73 (12) |
| C38—As1—C32 | 102.09 (5) | C37—C32—As1 | 123.00 (9) |
| C38—As1—C26 | 101.52 (5) | C33—C32—As1 | 117.45 (9) |
| C32—As1—C26 | 97.20 (5) | C34—C33—C32 | 120.79 (12) |
| C38—As1—Ru3 | 114.76 (4) | C34—C33—H33A | 119.6 |
| C32—As1—Ru3 | 122.65 (4) | C32—C33—H33A | 119.6 |
| C26—As1—Ru3 | 115.26 (4) | C33—C34—C35 | 119.99 (12) |
| C7—P1—C1 | 98.79 (6) | C33—C34—H34A | 120.0 |
| C7—P1—C13 | 102.47 (6) | C35—C34—H34A | 120.0 |
| C1—P1—C13 | 104.49 (6) | O11—C35—C36 | 124.43 (12) |
| C7—P1—Ru1 | 115.03 (4) | O11—C35—C34 | 115.63 (12) |
| C1—P1—Ru1 | 118.96 (4) | C36—C35—C34 | 119.94 (12) |
| C13—P1—Ru1 | 114.70 (4) | C35—C36—C37 | 119.25 (12) |
| C20—P2—C14 | 104.26 (6) | C35—C36—H36A | 120.4 |
| C20—P2—C13 | 105.29 (6) | C37—C36—H36A | 120.4 |
| C14—P2—C13 | 99.97 (6) | C32—C37—C36 | 121.23 (12) |
| C20—P2—Ru2 | 117.87 (4) | C32—C37—H37A | 119.4 |
| C14—P2—Ru2 | 117.41 (4) | C36—C37—H37A | 119.4 |
| C13—P2—Ru2 | 109.99 (4) | C43—C38—C39 | 118.67 (11) |
| C29—O10—C53 | 117.49 (13) | C43—C38—As1 | 120.24 (9) |
| C35—O11—C54 | 117.37 (11) | C39—C38—As1 | 121.00 (9) |
| C41—O12—C55 | 116.68 (12) | C40—C39—C38 | 120.91 (12) |
| C2—C1—C6 | 119.10 (12) | C40—C39—H39A | 119.5 |
| C2—C1—P1 | 121.73 (10) | C38—C39—H39A | 119.5 |
| C6—C1—P1 | 119.13 (10) | C39—C40—C41 | 119.75 (12) |
| C1—C2—C3 | 120.26 (13) | C39—C40—H40A | 120.1 |
| C1—C2—H2A | 119.9 | C41—C40—H40A | 120.1 |
| C3—C2—H2A | 119.9 | O12—C41—C40 | 124.72 (12) |
| C4—C3—C2 | 120.12 (15) | O12—C41—C42 | 115.49 (12) |
| C4—C3—H3A | 119.9 | C40—C41—C42 | 119.78 (12) |
| C2—C3—H3A | 119.9 | C43—C42—C41 | 120.12 (12) |
| C3—C4—C5 | 120.04 (14) | C43—C42—H42A | 119.9 |
| C3—C4—H4A | 120.0 | C41—C42—H42A | 119.9 |
| C5—C4—H4A | 120.0 | C42—C43—C38 | 120.67 (12) |
| C6—C5—C4 | 119.93 (14) | C42—C43—H43A | 119.7 |
| C6—C5—H5A | 120.0 | C38—C43—H43A | 119.7 |
| C4—C5—H5A | 120.0 | O1—C44—Ru1 | 175.51 (11) |
| C5—C6—C1 | 120.54 (14) | O2—C45—Ru1 | 175.86 (12) |
| C5—C6—H6A | 119.7 | O3—C46—Ru1 | 173.10 (12) |
| C1—C6—H6A | 119.7 | O4—C47—Ru2 | 175.10 (11) |
| C12—C7—C8 | 118.63 (12) | O5—C48—Ru2 | 178.46 (12) |
| C12—C7—P1 | 124.75 (10) | O6—C49—Ru2 | 173.63 (12) |
| C8—C7—P1 | 116.57 (10) | O7—C50—Ru3 | 174.12 (12) |
| C9—C8—C7 | 120.57 (13) | O8—C51—Ru3 | 174.56 (12) |
| C9—C8—H8A | 119.7 | O9—C52—Ru3 | 172.38 (12) |
| C7—C8—H8A | 119.7 | O10—C53—H53A | 109.5 |
| C10—C9—C8 | 120.28 (13) | O10—C53—H53B | 109.5 |
| C10—C9—H9A | 119.9 | H53A—C53—H53B | 109.5 |
| C8—C9—H9A | 119.9 | O10—C53—H53C | 109.5 |
| C11—C10—C9 | 119.77 (13) | H53A—C53—H53C | 109.5 |
| C11—C10—H10A | 120.1 | H53B—C53—H53C | 109.5 |
| C9—C10—H10A | 120.1 | O11—C54—H54A | 109.5 |
| C10—C11—C12 | 120.14 (14) | O11—C54—H54B | 109.5 |
| C10—C11—H11A | 119.9 | H54A—C54—H54B | 109.5 |
| C12—C11—H11A | 119.9 | O11—C54—H54C | 109.5 |
| C11—C12—C7 | 120.60 (13) | H54A—C54—H54C | 109.5 |
| C11—C12—H12A | 119.7 | H54B—C54—H54C | 109.5 |
| C7—C12—H12A | 119.7 | O12—C55—H55A | 109.5 |
| P2—C13—P1 | 114.19 (6) | O12—C55—H55B | 109.5 |
| P2—C13—H13A | 108.7 | H55A—C55—H55B | 109.5 |
| P1—C13—H13A | 108.7 | O12—C55—H55C | 109.5 |
| P2—C13—H13B | 108.7 | H55A—C55—H55C | 109.5 |
| P1—C13—H13B | 108.7 | H55B—C55—H55C | 109.5 |
| H13A—C13—H13B | 107.6 | C56—Cl1—C56i | 59.66 (18) |
| C19—C14—C15 | 118.92 (12) | Cl1—C56—C56i | 62.8 (2) |
| C19—C14—P2 | 122.99 (10) | Cl1—C56—Cl1i | 120.34 (18) |
| C15—C14—P2 | 118.08 (9) | C56i—C56—Cl1i | 57.53 (19) |
| C16—C15—C14 | 120.45 (13) | Cl1—C56—H56A | 107.2 |
| C16—C15—H15A | 119.8 | C56i—C56—H56A | 126.2 |
| C14—C15—H15A | 119.8 | Cl1i—C56—H56A | 107.0 |
| C15—C16—C17 | 120.21 (13) | Cl1—C56—H56B | 107.3 |
| C15—C16—H16A | 119.9 | C56i—C56—H56B | 126.8 |
| C17—C16—H16A | 119.9 | Cl1i—C56—H56B | 107.4 |
| C18—C17—C16 | 119.76 (13) | H56A—C56—H56B | 107.0 |
| C45—Ru1—Ru2—C48 | 86.4 (3) | C7—P1—C1—C2 | 134.94 (11) |
| C46—Ru1—Ru2—C48 | −32.64 (16) | C13—P1—C1—C2 | −119.66 (11) |
| C44—Ru1—Ru2—C48 | 138.62 (16) | Ru1—P1—C1—C2 | 9.85 (13) |
| P1—Ru1—Ru2—C48 | −125.95 (16) | C7—P1—C1—C6 | −42.85 (12) |
| Ru3—Ru1—Ru2—C48 | 38.61 (16) | C13—P1—C1—C6 | 62.56 (12) |
| C45—Ru1—Ru2—C49 | −23.6 (2) | Ru1—P1—C1—C6 | −167.94 (9) |
| C46—Ru1—Ru2—C49 | −142.63 (6) | C6—C1—C2—C3 | 0.3 (2) |
| C44—Ru1—Ru2—C49 | 28.62 (5) | P1—C1—C2—C3 | −177.51 (12) |
| P1—Ru1—Ru2—C49 | 124.06 (4) | C1—C2—C3—C4 | 0.2 (2) |
| Ru3—Ru1—Ru2—C49 | −71.38 (4) | C2—C3—C4—C5 | −0.4 (3) |
| C45—Ru1—Ru2—C47 | 148.8 (2) | C3—C4—C5—C6 | 0.2 (3) |
| C46—Ru1—Ru2—C47 | 29.75 (5) | C4—C5—C6—C1 | 0.2 (2) |
| C44—Ru1—Ru2—C47 | −159.00 (5) | C2—C1—C6—C5 | −0.5 (2) |
| P1—Ru1—Ru2—C47 | −63.56 (4) | P1—C1—C6—C5 | 177.38 (12) |
| Ru3—Ru1—Ru2—C47 | 101.00 (4) | C1—P1—C7—C12 | 105.58 (12) |
| C45—Ru1—Ru2—P2 | −120.8 (2) | C13—P1—C7—C12 | −1.49 (13) |
| C46—Ru1—Ru2—P2 | 120.14 (4) | Ru1—P1—C7—C12 | −126.62 (11) |
| C44—Ru1—Ru2—P2 | −68.60 (4) | C1—P1—C7—C8 | −71.82 (11) |
| P1—Ru1—Ru2—P2 | 26.836 (11) | C13—P1—C7—C8 | −178.89 (10) |
| Ru3—Ru1—Ru2—P2 | −168.606 (8) | Ru1—P1—C7—C8 | 55.97 (11) |
| C45—Ru1—Ru2—Ru3 | 47.8 (2) | C12—C7—C8—C9 | 0.1 (2) |
| C46—Ru1—Ru2—Ru3 | −71.25 (4) | P1—C7—C8—C9 | 177.66 (12) |
| C44—Ru1—Ru2—Ru3 | 100.01 (4) | C7—C8—C9—C10 | 0.2 (2) |
| P1—Ru1—Ru2—Ru3 | −164.558 (9) | C8—C9—C10—C11 | 0.0 (2) |
| C48—Ru2—Ru3—C51 | 26.29 (6) | C9—C10—C11—C12 | −0.5 (2) |
| C49—Ru2—Ru3—C51 | −59.44 (5) | C10—C11—C12—C7 | 0.9 (2) |
| C47—Ru2—Ru3—C51 | 119.93 (5) | C8—C7—C12—C11 | −0.6 (2) |
| P2—Ru2—Ru3—C51 | −140.93 (4) | P1—C7—C12—C11 | −178.00 (12) |
| Ru1—Ru2—Ru3—C51 | −163.44 (4) | C20—P2—C13—P1 | −82.77 (8) |
| C48—Ru2—Ru3—C52 | 119.88 (6) | C14—P2—C13—P1 | 169.33 (7) |
| C49—Ru2—Ru3—C52 | 34.16 (6) | Ru2—P2—C13—P1 | 45.19 (7) |
| C47—Ru2—Ru3—C52 | −146.48 (6) | C7—P1—C13—P2 | −144.34 (7) |
| P2—Ru2—Ru3—C52 | −47.34 (4) | C1—P1—C13—P2 | 113.03 (7) |
| Ru1—Ru2—Ru3—C52 | −69.85 (4) | Ru1—P1—C13—P2 | −18.98 (8) |
| C48—Ru2—Ru3—C50 | −66.89 (6) | C20—P2—C14—C19 | −3.77 (13) |
| C49—Ru2—Ru3—C50 | −152.61 (5) | C13—P2—C14—C19 | 104.96 (12) |
| C47—Ru2—Ru3—C50 | 26.75 (5) | Ru2—P2—C14—C19 | −136.22 (10) |
| P2—Ru2—Ru3—C50 | 125.89 (4) | C20—P2—C14—C15 | 176.58 (10) |
| Ru1—Ru2—Ru3—C50 | 103.38 (4) | C13—P2—C14—C15 | −74.70 (11) |
| C48—Ru2—Ru3—As1 | −112.57 (5) | Ru2—P2—C14—C15 | 44.12 (11) |
| C49—Ru2—Ru3—As1 | 161.71 (4) | C19—C14—C15—C16 | −0.4 (2) |
| C47—Ru2—Ru3—As1 | −18.93 (4) | P2—C14—C15—C16 | 179.29 (11) |
| P2—Ru2—Ru3—As1 | 80.21 (3) | C14—C15—C16—C17 | 1.0 (2) |
| Ru1—Ru2—Ru3—As1 | 57.70 (2) | C15—C16—C17—C18 | −1.1 (2) |
| C48—Ru2—Ru3—Ru1 | −170.27 (4) | C16—C17—C18—C19 | 0.4 (2) |
| C49—Ru2—Ru3—Ru1 | 104.01 (4) | C17—C18—C19—C14 | 0.3 (2) |
| C47—Ru2—Ru3—Ru1 | −76.63 (4) | C15—C14—C19—C18 | −0.3 (2) |
| P2—Ru2—Ru3—Ru1 | 22.512 (16) | P2—C14—C19—C18 | −179.92 (12) |
| C45—Ru1—Ru3—C51 | −138.48 (9) | C14—P2—C20—C25 | 104.89 (11) |
| C46—Ru1—Ru3—C51 | 134.90 (8) | C13—P2—C20—C25 | 0.13 (12) |
| C44—Ru1—Ru3—C51 | −44.91 (8) | Ru2—P2—C20—C25 | −122.92 (10) |
| P1—Ru1—Ru3—C51 | 62.12 (8) | C14—P2—C20—C21 | −78.47 (11) |
| Ru2—Ru1—Ru3—C51 | 32.18 (7) | C13—P2—C20—C21 | 176.78 (10) |
| C45—Ru1—Ru3—C52 | −63.56 (6) | Ru2—P2—C20—C21 | 53.72 (11) |
| C46—Ru1—Ru3—C52 | −150.17 (6) | C25—C20—C21—C22 | 1.89 (19) |
| C44—Ru1—Ru3—C52 | 30.01 (5) | P2—C20—C21—C22 | −174.86 (10) |
| P1—Ru1—Ru3—C52 | 137.04 (4) | C20—C21—C22—C23 | −0.6 (2) |
| Ru2—Ru1—Ru3—C52 | 107.11 (4) | C21—C22—C23—C24 | −0.8 (2) |
| C45—Ru1—Ru3—C50 | 114.61 (6) | C22—C23—C24—C25 | 1.0 (2) |
| C46—Ru1—Ru3—C50 | 27.99 (6) | C23—C24—C25—C20 | 0.3 (2) |
| C44—Ru1—Ru3—C50 | −151.82 (5) | C21—C20—C25—C24 | −1.72 (19) |
| P1—Ru1—Ru3—C50 | −44.79 (4) | P2—C20—C25—C24 | 174.92 (10) |
| Ru2—Ru1—Ru3—C50 | −74.73 (4) | C38—As1—C26—C27 | 114.32 (11) |
| C45—Ru1—Ru3—As1 | 22.87 (5) | C32—As1—C26—C27 | −141.72 (11) |
| C46—Ru1—Ru3—As1 | −63.75 (4) | Ru3—As1—C26—C27 | −10.35 (12) |
| C44—Ru1—Ru3—As1 | 116.44 (4) | C38—As1—C26—C31 | −68.20 (11) |
| P1—Ru1—Ru3—As1 | −136.533 (16) | C32—As1—C26—C31 | 35.76 (11) |
| Ru2—Ru1—Ru3—As1 | −166.468 (6) | Ru3—As1—C26—C31 | 167.14 (9) |
| C45—Ru1—Ru3—Ru2 | −170.66 (4) | C31—C26—C27—C28 | 0.1 (2) |
| C46—Ru1—Ru3—Ru2 | 102.72 (4) | As1—C26—C27—C28 | 177.59 (10) |
| C44—Ru1—Ru3—Ru2 | −77.09 (4) | C26—C27—C28—C29 | 0.2 (2) |
| P1—Ru1—Ru3—Ru2 | 29.935 (16) | C53—O10—C29—C28 | 4.6 (2) |
| C51—Ru3—As1—C38 | −68.91 (6) | C53—O10—C29—C30 | −176.87 (13) |
| C52—Ru3—As1—C38 | −162.47 (6) | C27—C28—C29—O10 | 177.70 (13) |
| C50—Ru3—As1—C38 | 24.53 (5) | C27—C28—C29—C30 | −0.8 (2) |
| Ru2—Ru3—As1—C38 | 69.37 (5) | O10—C29—C30—C31 | −177.59 (13) |
| Ru1—Ru3—As1—C38 | 121.05 (4) | C28—C29—C30—C31 | 1.0 (2) |
| C51—Ru3—As1—C32 | 166.36 (6) | C29—C30—C31—C26 | −0.7 (2) |
| C52—Ru3—As1—C32 | 72.81 (6) | C27—C26—C31—C30 | 0.2 (2) |
| C50—Ru3—As1—C32 | −100.20 (6) | As1—C26—C31—C30 | −177.39 (11) |
| Ru2—Ru3—As1—C32 | −55.36 (5) | C38—As1—C32—C37 | 14.58 (12) |
| Ru1—Ru3—As1—C32 | −3.67 (4) | C26—As1—C32—C37 | −88.89 (11) |
| C51—Ru3—As1—C26 | 48.52 (6) | Ru3—As1—C32—C37 | 144.83 (9) |
| C52—Ru3—As1—C26 | −45.03 (6) | C38—As1—C32—C33 | −175.94 (10) |
| C50—Ru3—As1—C26 | 141.96 (6) | C26—As1—C32—C33 | 80.59 (10) |
| Ru2—Ru3—As1—C26 | −173.19 (4) | Ru3—As1—C32—C33 | −45.69 (11) |
| Ru1—Ru3—As1—C26 | −121.51 (4) | C37—C32—C33—C34 | 2.24 (19) |
| C45—Ru1—P1—C7 | −77.49 (6) | As1—C32—C33—C34 | −167.71 (10) |
| C46—Ru1—P1—C7 | 15.39 (6) | C32—C33—C34—C35 | −0.5 (2) |
| C44—Ru1—P1—C7 | −170.10 (6) | C54—O11—C35—C36 | 1.7 (2) |
| Ru2—Ru1—P1—C7 | 108.77 (5) | C54—O11—C35—C34 | −177.78 (13) |
| Ru3—Ru1—P1—C7 | 83.39 (5) | C33—C34—C35—O11 | 177.50 (12) |
| C45—Ru1—P1—C1 | 39.32 (6) | C33—C34—C35—C36 | −2.0 (2) |
| C46—Ru1—P1—C1 | 132.20 (6) | O11—C35—C36—C37 | −176.82 (13) |
| C44—Ru1—P1—C1 | −53.29 (6) | C34—C35—C36—C37 | 2.6 (2) |
| Ru2—Ru1—P1—C1 | −134.41 (5) | C33—C32—C37—C36 | −1.58 (19) |
| Ru3—Ru1—P1—C1 | −159.80 (5) | As1—C32—C37—C36 | 167.77 (10) |
| C45—Ru1—P1—C13 | 164.01 (6) | C35—C36—C37—C32 | −0.8 (2) |
| C46—Ru1—P1—C13 | −103.11 (6) | C32—As1—C38—C43 | −127.57 (10) |
| C44—Ru1—P1—C13 | 71.40 (6) | C26—As1—C38—C43 | −27.52 (11) |
| Ru2—Ru1—P1—C13 | −9.72 (4) | Ru3—As1—C38—C43 | 97.48 (10) |
| Ru3—Ru1—P1—C13 | −35.11 (5) | C32—As1—C38—C39 | 55.80 (11) |
| C48—Ru2—P2—C20 | −109.00 (6) | C26—As1—C38—C39 | 155.86 (11) |
| C49—Ru2—P2—C20 | −17.40 (6) | Ru3—As1—C38—C39 | −79.15 (11) |
| C47—Ru2—P2—C20 | 158.83 (6) | C43—C38—C39—C40 | 2.7 (2) |
| Ru3—Ru2—P2—C20 | 58.38 (5) | As1—C38—C39—C40 | 179.41 (11) |
| Ru1—Ru2—P2—C20 | 78.02 (5) | C38—C39—C40—C41 | −2.0 (2) |
| C48—Ru2—P2—C14 | 17.01 (6) | C55—O12—C41—C40 | −2.6 (2) |
| C49—Ru2—P2—C14 | 108.61 (6) | C55—O12—C41—C42 | 177.35 (13) |
| C47—Ru2—P2—C14 | −75.16 (6) | C39—C40—C41—O12 | 179.11 (13) |
| Ru3—Ru2—P2—C14 | −175.61 (4) | C39—C40—C41—C42 | −0.8 (2) |
| Ru1—Ru2—P2—C14 | −155.96 (5) | O12—C41—C42—C43 | −177.09 (12) |
| C48—Ru2—P2—C13 | 130.35 (6) | C40—C41—C42—C43 | 2.8 (2) |
| C49—Ru2—P2—C13 | −138.05 (6) | C41—C42—C43—C38 | −2.08 (19) |
| C47—Ru2—P2—C13 | 38.18 (6) | C39—C38—C43—C42 | −0.68 (19) |
| Ru3—Ru2—P2—C13 | −62.27 (5) | As1—C38—C43—C42 | −177.38 (10) |
| Ru1—Ru2—P2—C13 | −42.63 (4) | C56i—Cl1—C56—Cl1i | 0.0 |
| Cg1 and Cg2 are the centroids of theC32–C37 and C26–C31 benzene rings, respectively. |
| H··· | ||||
| C53—H53C···O2ii | 0.96 | 2.60 | 3.346 (2) | 135 |
| C56—H56A···O7 | 0.96 | 2.60 | 3.116 (3) | 114 |
| C22—H22A···Cg1iii | 0.93 | 2.91 | 3.5901 (16) | 131 |
| C53—H53B···Cg2iv | 0.96 | 2.85 | 3.6951 (17) | 147 |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| C53—H53 | 0.96 | 2.60 | 3.346 (2) | 135 |
| C56—H56 | 0.96 | 2.60 | 3.116 (3) | 114 |
| C22—H22 | 0.93 | 2.91 | 3.5901 (16) | 131 |
| C53—H53 | 0.96 | 2.85 | 3.6951 (17) | 147 |
Symmetry codes: (i) ; (ii) ; (iii) . Cg1 and Cg2 are the centroids of theC32–C37 and C26–C31 benzene rings, respectively.