| Literature DB >> 21579683 |
Omar Bin Shawkataly, Imthyaz Ahmed Khan, Chin Sing Yeap, Hoong-Kun Fun.
Abstract
The asymmetric unit of the title triangulo-triruthenium compound, [Ru(3)(C(25)H(22)As(2))(C(18)H(15)O(3)P)(CO)(9)], contains two crystallographically independent but similar mol-ecules. The bis-(diphenyl-arsino)methane ligand bridges an Ru-Ru bond and the monodentate phosphite ligand bonds to the third Ru atom. Both the phosphite and 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. One of the triphenyl-phosphite benzene rings in one of the mol-ecules is disordered over two positions with refined site occupancies of 0.60 (3) and 0.40 (3). In the crystal packing, the mol-ecules are stacked along a axis. Intra-molecular C-H⋯O hydrogen bonds stabilize the mol-ecular structure and weak inter-molecular C-H⋯π inter-actions further stabilize the crystal structure. The crystal studied was a non-merohedral twin, the refined ratio of the twin components being 0.618 (1):0.382 (1).Entities:
Year: 2010 PMID: 21579683 PMCID: PMC2979706 DOI: 10.1107/S1600536810001200
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Ru3(C25H22As2)(C18H15O3P)(CO)9] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 9830 reflections |
| θ = 2.4–29.2° | |
| µ = 2.28 mm−1 | |
| β = 90.125 (1)° | Block, red |
| 0.25 × 0.23 × 0.04 mm | |
| Bruker SMART APEXII CCD area-detector diffractometer | 29385 independent reflections |
| Radiation source: fine-focus sealed tube | 22171 reflections with |
| graphite | |
| φ and ω scans | θmax = 30.0°, θmin = 1.0° |
| Absorption correction: multi-scan ( | |
| 235438 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 | |
| 29385 reflections | (Δ/σ)max = 0.001 |
| 1275 parameters | Δρmax = 2.75 e Å−3 |
| 174 restraints | Δρmin = −2.02 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) | |||||
| Ru1A | 0.28173 (4) | 0.76421 (3) | 0.64426 (2) | 0.01788 (13) | |
| Ru2A | 0.26063 (4) | 0.89647 (3) | 0.63474 (2) | 0.01799 (13) | |
| Ru3A | 0.35416 (4) | 0.82713 (3) | 0.57030 (2) | 0.01912 (13) | |
| As1A | 0.20409 (5) | 0.76330 (3) | 0.71392 (3) | 0.01517 (16) | |
| As2A | 0.15232 (6) | 0.90735 (3) | 0.69237 (3) | 0.01558 (16) | |
| P1A | 0.43840 (15) | 0.74851 (10) | 0.54556 (8) | 0.0236 (5) | |
| O1A | 0.4568 (4) | 0.7873 (3) | 0.6862 (3) | 0.0389 (18) | |
| O2A | 0.3396 (5) | 0.6296 (3) | 0.6344 (3) | 0.0470 (13) | |
| O3A | 0.1042 (5) | 0.7454 (4) | 0.6046 (3) | 0.045 (2) | |
| O4A | 0.1215 (4) | 0.8772 (4) | 0.5657 (3) | 0.046 (2) | |
| O5A | 0.2849 (5) | 1.0281 (3) | 0.5992 (3) | 0.054 (2) | |
| O6A | 0.4037 (5) | 0.9200 (4) | 0.7014 (3) | 0.0425 (19) | |
| O7A | 0.5087 (5) | 0.8852 (4) | 0.6168 (3) | 0.0369 (17) | |
| O8A | 0.3598 (5) | 0.9325 (3) | 0.5021 (2) | 0.0327 (16) | |
| O9A | 0.2098 (4) | 0.7605 (3) | 0.5196 (2) | 0.0336 (15) | |
| O10A | 0.5103 (4) | 0.7324 (3) | 0.5814 (2) | 0.0398 (16) | |
| O11A | 0.4931 (4) | 0.7551 (3) | 0.5012 (2) | 0.0294 (10) | |
| O12A | 0.4009 (5) | 0.6802 (3) | 0.5398 (2) | 0.0373 (16) | |
| C1A | 0.1324 (5) | 0.6910 (3) | 0.7279 (3) | 0.0186 (17) | |
| C2A | 0.0884 (6) | 0.6898 (4) | 0.7683 (3) | 0.0215 (18) | |
| H2AA | 0.0953 | 0.7224 | 0.7884 | 0.026* | |
| C3A | 0.0346 (6) | 0.6401 (4) | 0.7786 (3) | 0.0237 (19) | |
| H3AA | 0.0046 | 0.6400 | 0.8052 | 0.028* | |
| C4A | 0.0258 (6) | 0.5904 (4) | 0.7490 (3) | 0.028 (2) | |
| H4AA | −0.0089 | 0.5565 | 0.7560 | 0.033* | |
| C5A | 0.0693 (6) | 0.5918 (4) | 0.7088 (3) | 0.0244 (19) | |
| H5AA | 0.0622 | 0.5593 | 0.6887 | 0.029* | |
| C6A | 0.1239 (6) | 0.6419 (3) | 0.6983 (3) | 0.0223 (18) | |
| H6AA | 0.1539 | 0.6420 | 0.6717 | 0.027* | |
| C7A | 0.2706 (6) | 0.7713 (3) | 0.7674 (3) | 0.0207 (17) | |
| C8A | 0.2528 (6) | 0.8145 (4) | 0.8010 (3) | 0.0262 (19) | |
| H8AA | 0.2052 | 0.8403 | 0.7988 | 0.031* | |
| C9A | 0.3057 (7) | 0.8186 (4) | 0.8371 (3) | 0.031 (2) | |
| H9AA | 0.2943 | 0.8478 | 0.8591 | 0.038* | |
| C10A | 0.3754 (7) | 0.7801 (5) | 0.8411 (3) | 0.034 (2) | |
| H10A | 0.4107 | 0.7831 | 0.8659 | 0.041* | |
| C11A | 0.3934 (7) | 0.7359 (5) | 0.8079 (4) | 0.035 (2) | |
| H11A | 0.4405 | 0.7097 | 0.8106 | 0.042* | |
| C12A | 0.3411 (6) | 0.7316 (4) | 0.7713 (3) | 0.0266 (19) | |
| H12A | 0.3527 | 0.7023 | 0.7493 | 0.032* | |
| C13A | 0.1143 (5) | 0.8278 (3) | 0.7180 (3) | 0.0164 (16) | |
| H13A | 0.0636 | 0.8134 | 0.7025 | 0.020* | |
| H13B | 0.0994 | 0.8341 | 0.7489 | 0.020* | |
| C14A | 0.1714 (5) | 0.9620 (4) | 0.7431 (3) | 0.0193 (17) | |
| C15A | 0.2239 (6) | 1.0135 (3) | 0.7376 (3) | 0.0211 (17) | |
| H15A | 0.2541 | 1.0185 | 0.7114 | 0.025* | |
| C16A | 0.2318 (6) | 1.0574 (4) | 0.7709 (3) | 0.0267 (19) | |
| H16A | 0.2679 | 1.0916 | 0.7672 | 0.032* | |
| C17A | 0.1858 (6) | 1.0506 (4) | 0.8101 (4) | 0.030 (2) | |
| H17A | 0.1909 | 1.0804 | 0.8324 | 0.036* | |
| C18A | 0.1323 (6) | 0.9995 (4) | 0.8159 (3) | 0.0240 (18) | |
| H18A | 0.1016 | 0.9949 | 0.8420 | 0.029* | |
| C19A | 0.1251 (5) | 0.9556 (4) | 0.7824 (3) | 0.0216 (18) | |
| H19A | 0.0891 | 0.9214 | 0.7862 | 0.026* | |
| C20A | 0.0468 (6) | 0.9467 (4) | 0.6727 (3) | 0.0184 (16) | |
| C21A | 0.0568 (5) | 0.9991 (3) | 0.6452 (3) | 0.0183 (15) | |
| H21A | 0.1107 | 1.0107 | 0.6352 | 0.022* | |
| C22A | −0.0142 (6) | 1.0331 (4) | 0.6330 (3) | 0.0240 (18) | |
| H22A | −0.0079 | 1.0681 | 0.6149 | 0.029* | |
| C23A | −0.0957 (6) | 1.0160 (4) | 0.6475 (3) | 0.027 (2) | |
| H23A | −0.1434 | 1.0389 | 0.6389 | 0.033* | |
| C24A | −0.1044 (6) | 0.9639 (4) | 0.6752 (3) | 0.026 (2) | |
| H24A | −0.1582 | 0.9522 | 0.6853 | 0.032* | |
| C25A | −0.0323 (5) | 0.9291 (4) | 0.6878 (3) | 0.0213 (17) | |
| H25A | −0.0381 | 0.8944 | 0.7061 | 0.026* | |
| C26A | 0.5823 (6) | 0.6930 (4) | 0.5772 (4) | 0.032 (2) | |
| C27A | 0.6492 (8) | 0.7085 (5) | 0.6032 (4) | 0.043 (3) | |
| H27A | 0.6465 | 0.7435 | 0.6215 | 0.052* | |
| C28A | 0.7219 (7) | 0.6715 (5) | 0.6025 (4) | 0.045 (3) | |
| H28A | 0.7686 | 0.6818 | 0.6202 | 0.054* | |
| C29A | 0.7251 (6) | 0.6196 (4) | 0.5756 (4) | 0.039 (2) | |
| H29A | 0.7735 | 0.5944 | 0.5757 | 0.047* | |
| C30A | 0.6594 (6) | 0.6053 (4) | 0.5494 (3) | 0.032 (2) | |
| H30A | 0.6634 | 0.5706 | 0.5309 | 0.038* | |
| C31A | 0.5850 (7) | 0.6409 (5) | 0.5491 (4) | 0.035 (2) | |
| H31A | 0.5389 | 0.6304 | 0.5310 | 0.042* | |
| C32A | 0.5065 (6) | 0.8110 (4) | 0.4778 (4) | 0.029 (2) | |
| C33A | 0.4591 (7) | 0.8208 (5) | 0.4406 (4) | 0.037 (2) | |
| H33A | 0.4180 | 0.7919 | 0.4318 | 0.045* | |
| C34A | 0.4733 (7) | 0.8752 (6) | 0.4157 (4) | 0.051 (3) | |
| H34A | 0.4425 | 0.8819 | 0.3898 | 0.061* | |
| C35A | 0.5316 (7) | 0.9181 (6) | 0.4292 (5) | 0.053 (3) | |
| H35A | 0.5394 | 0.9547 | 0.4130 | 0.063* | |
| C36A | 0.5788 (8) | 0.9075 (6) | 0.4666 (5) | 0.058 (4) | |
| H36A | 0.6200 | 0.9364 | 0.4752 | 0.070* | |
| C37A | 0.5656 (7) | 0.8529 (5) | 0.4922 (4) | 0.038 (2) | |
| H37A | 0.5963 | 0.8460 | 0.5182 | 0.046* | |
| C38A | 0.3726 (6) | 0.6460 (4) | 0.5032 (4) | 0.026 (2) | |
| C39A | 0.4202 (6) | 0.6384 (4) | 0.4643 (3) | 0.026 (2) | |
| H39A | 0.4707 | 0.6608 | 0.4607 | 0.032* | |
| C40A | 0.3936 (7) | 0.5991 (4) | 0.4321 (3) | 0.039 (2) | |
| H40A | 0.4270 | 0.5924 | 0.4071 | 0.046* | |
| C41A | 0.3145 (7) | 0.5687 (5) | 0.4370 (4) | 0.045 (3) | |
| H41A | 0.2950 | 0.5426 | 0.4145 | 0.054* | |
| C42A | 0.2655 (6) | 0.5764 (4) | 0.4743 (4) | 0.040 (2) | |
| H42A | 0.2126 | 0.5570 | 0.4768 | 0.048* | |
| C43A | 0.2973 (7) | 0.6145 (4) | 0.5089 (4) | 0.042 (2) | |
| H43A | 0.2672 | 0.6182 | 0.5354 | 0.051* | |
| C44A | 0.3913 (6) | 0.7820 (4) | 0.6693 (3) | 0.027 (2) | |
| C45A | 0.3155 (7) | 0.6793 (4) | 0.6376 (3) | 0.029 (2) | |
| C46A | 0.1712 (6) | 0.7545 (4) | 0.6167 (3) | 0.029 (2) | |
| C47A | 0.1757 (6) | 0.8804 (4) | 0.5915 (3) | 0.029 (2) | |
| C48A | 0.2756 (7) | 0.9794 (4) | 0.6137 (4) | 0.036 (2) | |
| C49A | 0.3526 (7) | 0.9068 (4) | 0.6772 (3) | 0.029 (2) | |
| C50A | 0.4490 (6) | 0.8638 (4) | 0.6023 (3) | 0.0236 (19) | |
| C51A | 0.3595 (6) | 0.8920 (4) | 0.5265 (3) | 0.0260 (19) | |
| C52A | 0.2589 (5) | 0.7859 (4) | 0.5402 (3) | 0.0235 (17) | |
| Ru1B | 0.22582 (4) | 0.27062 (3) | 0.64659 (2) | 0.01799 (13) | |
| Ru2B | 0.24102 (4) | 0.40383 (3) | 0.64090 (2) | 0.01776 (13) | |
| Ru3B | 0.15314 (4) | 0.33614 (3) | 0.57451 (2) | 0.01808 (13) | |
| As1B | 0.29672 (5) | 0.26613 (3) | 0.71723 (3) | 0.01568 (16) | |
| As2B | 0.34802 (6) | 0.41124 (3) | 0.69863 (3) | 0.01577 (16) | |
| P1B | 0.08199 (14) | 0.25486 (9) | 0.54490 (8) | 0.0205 (4) | |
| O1B | 0.4092 (4) | 0.2680 (3) | 0.6091 (3) | 0.0393 (18) | |
| O2B | 0.1823 (5) | 0.1329 (3) | 0.6334 (3) | 0.0470 (13) | |
| O3B | 0.0452 (5) | 0.2821 (3) | 0.6864 (3) | 0.0347 (17) | |
| O4B | 0.0959 (5) | 0.4135 (4) | 0.7089 (3) | 0.0399 (18) | |
| O5B | 0.2015 (5) | 0.5377 (3) | 0.6150 (3) | 0.0427 (19) | |
| O6B | 0.3839 (5) | 0.4010 (4) | 0.5702 (3) | 0.0411 (18) | |
| O7B | 0.3105 (4) | 0.2841 (3) | 0.5243 (2) | 0.0306 (14) | |
| O8B | 0.1389 (5) | 0.4418 (3) | 0.5070 (2) | 0.0333 (16) | |
| O9B | −0.0092 (5) | 0.3839 (4) | 0.6217 (2) | 0.0375 (18) | |
| O10B | 0.0052 (4) | 0.2665 (3) | 0.5104 (2) | 0.0238 (13) | |
| O11B | 0.0345 (4) | 0.2080 (2) | 0.5758 (2) | 0.0294 (10) | |
| O12B | 0.1469 (4) | 0.2095 (3) | 0.5183 (2) | 0.0292 (13) | |
| C1B | 0.3687 (6) | 0.1935 (3) | 0.7305 (3) | 0.0185 (17) | |
| C2B | 0.4093 (6) | 0.1907 (4) | 0.7702 (3) | 0.0232 (19) | |
| H2BA | 0.4001 | 0.2217 | 0.7913 | 0.028* | |
| C3B | 0.4653 (6) | 0.1410 (4) | 0.7794 (4) | 0.030 (2) | |
| H3BA | 0.4929 | 0.1387 | 0.8066 | 0.037* | |
| C4B | 0.4792 (6) | 0.0956 (4) | 0.7477 (3) | 0.029 (2) | |
| H4BA | 0.5168 | 0.0629 | 0.7535 | 0.035* | |
| C5B | 0.4377 (7) | 0.0984 (4) | 0.7077 (4) | 0.030 (2) | |
| H5BA | 0.4462 | 0.0670 | 0.6868 | 0.036* | |
| C6B | 0.3832 (6) | 0.1479 (4) | 0.6981 (3) | 0.0239 (19) | |
| H6BA | 0.3567 | 0.1507 | 0.6705 | 0.029* | |
| C7B | 0.2250 (6) | 0.2699 (4) | 0.7697 (3) | 0.0205 (17) | |
| C8B | 0.2363 (6) | 0.3124 (4) | 0.8044 (3) | 0.0252 (19) | |
| H8BA | 0.2813 | 0.3408 | 0.8036 | 0.030* | |
| C9B | 0.1797 (7) | 0.3123 (4) | 0.8405 (3) | 0.031 (2) | |
| H9BA | 0.1879 | 0.3403 | 0.8637 | 0.037* | |
| C10B | 0.1118 (6) | 0.2707 (4) | 0.8417 (4) | 0.030 (2) | |
| H10B | 0.0738 | 0.2713 | 0.8653 | 0.036* | |
| C11B | 0.1009 (6) | 0.2289 (4) | 0.8079 (3) | 0.030 (2) | |
| H11B | 0.0561 | 0.2003 | 0.8088 | 0.035* | |
| C12B | 0.1564 (6) | 0.2289 (4) | 0.7723 (3) | 0.0221 (17) | |
| H12B | 0.1476 | 0.2005 | 0.7494 | 0.027* | |
| C13B | 0.3844 (5) | 0.3313 (3) | 0.7240 (3) | 0.0196 (17) | |
| H13C | 0.3969 | 0.3370 | 0.7552 | 0.023* | |
| H13D | 0.4365 | 0.3177 | 0.7095 | 0.023* | |
| C14B | 0.3287 (5) | 0.4648 (4) | 0.7504 (3) | 0.0201 (17) | |
| C15B | 0.2751 (6) | 0.5159 (4) | 0.7457 (3) | 0.0233 (18) | |
| H15B | 0.2434 | 0.5204 | 0.7198 | 0.028* | |
| C16B | 0.2678 (6) | 0.5603 (4) | 0.7789 (3) | 0.028 (2) | |
| H16B | 0.2334 | 0.5953 | 0.7746 | 0.034* | |
| C17B | 0.3106 (6) | 0.5527 (4) | 0.8177 (3) | 0.0244 (19) | |
| H17B | 0.3043 | 0.5818 | 0.8404 | 0.029* | |
| C19B | 0.3742 (5) | 0.4573 (4) | 0.7893 (3) | 0.0210 (17) | |
| H19B | 0.4110 | 0.4235 | 0.7928 | 0.025* | |
| C18B | 0.3644 (6) | 0.5010 (4) | 0.8234 (3) | 0.0241 (18) | |
| H18B | 0.3938 | 0.4957 | 0.8500 | 0.029* | |
| C20B | 0.4551 (6) | 0.4482 (3) | 0.6796 (3) | 0.0195 (17) | |
| C21B | 0.4517 (6) | 0.4984 (4) | 0.6507 (3) | 0.0249 (19) | |
| H21B | 0.3990 | 0.5107 | 0.6394 | 0.030* | |
| C22B | 0.5240 (7) | 0.5309 (4) | 0.6380 (3) | 0.029 (2) | |
| H22B | 0.5203 | 0.5641 | 0.6182 | 0.034* | |
| C23B | 0.6013 (7) | 0.5131 (4) | 0.6552 (3) | 0.032 (2) | |
| H23B | 0.6504 | 0.5348 | 0.6474 | 0.038* | |
| C24B | 0.6068 (6) | 0.4637 (4) | 0.6839 (3) | 0.028 (2) | |
| H24B | 0.6597 | 0.4520 | 0.6952 | 0.033* | |
| C25B | 0.5344 (6) | 0.4309 (4) | 0.6962 (3) | 0.0248 (19) | |
| H25B | 0.5390 | 0.3972 | 0.7155 | 0.030* | |
| C26B | 0.0026 (6) | 0.3163 (4) | 0.4807 (3) | 0.0232 (18) | |
| C27B | −0.0607 (6) | 0.3607 (5) | 0.4872 (4) | 0.032 (2) | |
| H27B | −0.0971 | 0.3580 | 0.5114 | 0.039* | |
| C28B | −0.0686 (7) | 0.4087 (5) | 0.4572 (4) | 0.041 (3) | |
| H28B | −0.1108 | 0.4389 | 0.4610 | 0.049* | |
| C29B | −0.0129 (7) | 0.4122 (4) | 0.4211 (4) | 0.035 (2) | |
| H29B | −0.0187 | 0.4447 | 0.4008 | 0.042* | |
| C30B | 0.0487 (6) | 0.3693 (4) | 0.4153 (3) | 0.030 (2) | |
| H30B | 0.0852 | 0.3724 | 0.3911 | 0.036* | |
| C31B | 0.0583 (6) | 0.3208 (4) | 0.4448 (3) | 0.0253 (19) | |
| H31B | 0.1014 | 0.2913 | 0.4409 | 0.030* | |
| C32B | −0.0539 (6) | 0.1892 (4) | 0.5767 (3) | 0.0238 (18) | |
| C33B | −0.0819 (6) | 0.1475 (4) | 0.5453 (3) | 0.0253 (19) | |
| H33B | −0.0452 | 0.1335 | 0.5232 | 0.030* | |
| C34B | −0.1656 (6) | 0.1267 (4) | 0.5470 (3) | 0.030 (2) | |
| H34B | −0.1854 | 0.0989 | 0.5256 | 0.036* | |
| C35B | −0.2202 (6) | 0.1468 (4) | 0.5802 (3) | 0.032 (2) | |
| H35B | −0.2761 | 0.1322 | 0.5813 | 0.038* | |
| C36B | −0.1908 (7) | 0.1891 (5) | 0.6119 (4) | 0.041 (3) | |
| H36B | −0.2264 | 0.2029 | 0.6345 | 0.049* | |
| C37B | −0.1064 (6) | 0.2102 (4) | 0.6089 (4) | 0.034 (2) | |
| H37B | −0.0862 | 0.2392 | 0.6294 | 0.041* | |
| C38B | 0.1337 (15) | 0.1524 (7) | 0.4998 (7) | 0.024 (4) | 0.60 (3) |
| C39B | 0.0950 (13) | 0.1458 (6) | 0.4591 (6) | 0.021 (3) | 0.60 (3) |
| H39B | 0.0793 | 0.1808 | 0.4427 | 0.025* | 0.60 (3) |
| C40B | 0.080 (2) | 0.0872 (8) | 0.4431 (7) | 0.035 (6) | 0.60 (3) |
| H40B | 0.0516 | 0.0827 | 0.4161 | 0.042* | 0.60 (3) |
| C41B | 0.1051 (17) | 0.0348 (6) | 0.4656 (6) | 0.040 (4) | 0.60 (3) |
| H41B | 0.0891 | −0.0049 | 0.4560 | 0.048* | 0.60 (3) |
| C42B | 0.156 (2) | 0.0426 (8) | 0.5042 (7) | 0.060 (6) | 0.60 (3) |
| H42B | 0.1864 | 0.0091 | 0.5162 | 0.071* | 0.60 (3) |
| C43B | 0.1608 (17) | 0.1005 (7) | 0.5231 (7) | 0.042 (5) | 0.60 (3) |
| H43B | 0.1820 | 0.1050 | 0.5518 | 0.050* | 0.60 (3) |
| C38C | 0.117 (2) | 0.1477 (10) | 0.5043 (9) | 0.018 (6)* | 0.40 (3) |
| C39C | 0.074 (2) | 0.1428 (11) | 0.4646 (9) | 0.021 (6)* | 0.40 (3) |
| H39C | 0.0507 | 0.1780 | 0.4510 | 0.025* | 0.40 (3) |
| C40C | 0.065 (3) | 0.0850 (12) | 0.4458 (10) | 0.024 (6)* | 0.40 (3) |
| H40C | 0.0560 | 0.0817 | 0.4155 | 0.029* | 0.40 (3) |
| C41C | 0.0708 (19) | 0.0318 (11) | 0.4710 (8) | 0.036 (6)* | 0.40 (3) |
| H41C | 0.0494 | −0.0063 | 0.4609 | 0.043* | 0.40 (3) |
| C42C | 0.1105 (16) | 0.0373 (9) | 0.5131 (7) | 0.022 (5)* | 0.40 (3) |
| H42C | 0.1238 | 0.0015 | 0.5293 | 0.026* | 0.40 (3) |
| C43C | 0.1294 (19) | 0.0950 (10) | 0.5299 (8) | 0.029 (6)* | 0.40 (3) |
| H43C | 0.1503 | 0.0988 | 0.5587 | 0.035* | 0.40 (3) |
| C44B | 0.3398 (6) | 0.2701 (4) | 0.6208 (3) | 0.0255 (19) | |
| C45B | 0.1993 (6) | 0.1853 (4) | 0.6371 (3) | 0.028 (2) | |
| C46B | 0.1126 (6) | 0.2808 (4) | 0.6710 (3) | 0.026 (2) | |
| C47B | 0.1497 (7) | 0.4062 (4) | 0.6822 (4) | 0.031 (2) | |
| C48B | 0.2187 (7) | 0.4875 (4) | 0.6247 (4) | 0.036 (2) | |
| C49B | 0.3283 (6) | 0.3990 (4) | 0.5953 (3) | 0.027 (2) | |
| C50B | 0.2552 (6) | 0.3038 (4) | 0.5450 (3) | 0.0236 (17) | |
| C51B | 0.1415 (6) | 0.4010 (4) | 0.5322 (3) | 0.0252 (19) | |
| C52B | 0.0540 (7) | 0.3662 (4) | 0.6067 (3) | 0.029 (2) |
| Ru1A | 0.0197 (3) | 0.0122 (2) | 0.0218 (3) | −0.0001 (2) | 0.0014 (3) | 0.0005 (2) |
| Ru2A | 0.0161 (3) | 0.0126 (2) | 0.0253 (3) | 0.0002 (2) | 0.0020 (3) | 0.0024 (2) |
| Ru3A | 0.0172 (3) | 0.0163 (3) | 0.0240 (3) | −0.0009 (2) | 0.0032 (3) | 0.0005 (2) |
| As1A | 0.0159 (4) | 0.0091 (3) | 0.0205 (4) | 0.0006 (3) | −0.0004 (3) | 0.0016 (3) |
| As2A | 0.0155 (4) | 0.0090 (3) | 0.0222 (4) | 0.0004 (3) | −0.0003 (3) | 0.0011 (3) |
| P1A | 0.0259 (11) | 0.0176 (9) | 0.0272 (12) | −0.0021 (8) | 0.0064 (9) | −0.0051 (8) |
| O1A | 0.018 (4) | 0.041 (4) | 0.058 (5) | −0.004 (3) | −0.011 (3) | 0.010 (4) |
| O2A | 0.069 (4) | 0.0167 (18) | 0.055 (3) | −0.002 (2) | −0.006 (3) | 0.0006 (19) |
| O3A | 0.037 (4) | 0.061 (5) | 0.038 (4) | −0.025 (4) | −0.011 (3) | 0.013 (4) |
| O4A | 0.022 (3) | 0.068 (5) | 0.047 (5) | 0.021 (3) | −0.006 (3) | −0.010 (4) |
| O5A | 0.032 (4) | 0.031 (4) | 0.099 (7) | 0.010 (3) | 0.024 (4) | 0.026 (4) |
| O6A | 0.020 (4) | 0.054 (4) | 0.054 (5) | 0.000 (3) | −0.009 (3) | −0.020 (4) |
| O7A | 0.026 (4) | 0.046 (4) | 0.039 (4) | −0.013 (3) | 0.004 (3) | −0.009 (3) |
| O8A | 0.033 (4) | 0.023 (3) | 0.041 (4) | 0.000 (3) | 0.011 (3) | 0.011 (3) |
| O9A | 0.032 (4) | 0.033 (3) | 0.036 (4) | −0.006 (3) | −0.006 (3) | 0.000 (3) |
| O10A | 0.039 (4) | 0.043 (4) | 0.038 (4) | 0.018 (3) | 0.001 (3) | −0.004 (3) |
| O11A | 0.020 (2) | 0.0160 (18) | 0.052 (3) | −0.0006 (15) | −0.005 (2) | 0.0024 (19) |
| O12A | 0.051 (4) | 0.024 (3) | 0.037 (4) | −0.004 (3) | 0.008 (3) | 0.002 (3) |
| C1A | 0.014 (4) | 0.013 (3) | 0.028 (5) | 0.002 (3) | 0.001 (3) | 0.004 (3) |
| C2A | 0.017 (4) | 0.017 (4) | 0.031 (5) | 0.002 (3) | 0.001 (4) | −0.001 (3) |
| C3A | 0.020 (4) | 0.018 (4) | 0.033 (5) | −0.001 (3) | 0.001 (4) | 0.012 (3) |
| C4A | 0.030 (5) | 0.012 (3) | 0.041 (6) | −0.007 (3) | −0.004 (4) | 0.009 (3) |
| C5A | 0.026 (5) | 0.015 (3) | 0.032 (5) | 0.001 (3) | −0.011 (4) | −0.003 (3) |
| C6A | 0.027 (5) | 0.011 (3) | 0.029 (5) | 0.001 (3) | −0.002 (4) | 0.003 (3) |
| C7A | 0.018 (4) | 0.015 (3) | 0.028 (5) | −0.001 (3) | 0.000 (4) | 0.005 (3) |
| C8A | 0.023 (4) | 0.020 (4) | 0.036 (5) | 0.003 (3) | −0.009 (4) | −0.001 (3) |
| C9A | 0.034 (5) | 0.028 (4) | 0.032 (5) | −0.005 (4) | −0.009 (4) | −0.002 (4) |
| C10A | 0.042 (6) | 0.036 (5) | 0.023 (5) | −0.012 (4) | −0.017 (4) | 0.008 (4) |
| C11A | 0.027 (5) | 0.046 (6) | 0.032 (6) | 0.006 (4) | −0.002 (4) | 0.015 (5) |
| C12A | 0.026 (5) | 0.030 (4) | 0.023 (5) | 0.005 (4) | −0.005 (4) | 0.006 (3) |
| C13A | 0.010 (4) | 0.013 (3) | 0.026 (4) | 0.004 (2) | 0.002 (3) | 0.001 (3) |
| C14A | 0.019 (4) | 0.015 (3) | 0.023 (4) | 0.004 (3) | 0.002 (3) | 0.002 (3) |
| C15A | 0.026 (5) | 0.011 (3) | 0.027 (4) | 0.002 (3) | 0.003 (3) | 0.003 (3) |
| C16A | 0.028 (5) | 0.017 (3) | 0.035 (5) | −0.002 (3) | −0.002 (4) | −0.002 (3) |
| C17A | 0.032 (5) | 0.023 (4) | 0.037 (6) | 0.003 (3) | −0.006 (4) | −0.006 (4) |
| C18A | 0.026 (5) | 0.023 (4) | 0.023 (4) | 0.000 (3) | 0.001 (4) | 0.002 (3) |
| C19A | 0.015 (4) | 0.017 (3) | 0.033 (5) | 0.000 (3) | −0.002 (3) | −0.001 (3) |
| C20A | 0.021 (4) | 0.015 (3) | 0.019 (4) | 0.002 (3) | −0.002 (3) | −0.002 (3) |
| C21A | 0.018 (4) | 0.014 (3) | 0.023 (4) | −0.002 (3) | 0.003 (3) | 0.001 (3) |
| C22A | 0.035 (5) | 0.018 (3) | 0.019 (4) | 0.008 (3) | 0.000 (4) | 0.002 (3) |
| C23A | 0.028 (5) | 0.021 (4) | 0.032 (5) | 0.013 (3) | −0.013 (4) | −0.004 (4) |
| C24A | 0.018 (4) | 0.025 (4) | 0.036 (5) | 0.008 (3) | −0.001 (4) | −0.002 (4) |
| C25A | 0.019 (4) | 0.017 (3) | 0.028 (5) | 0.001 (3) | 0.003 (3) | −0.002 (3) |
| C26A | 0.031 (5) | 0.029 (4) | 0.036 (5) | 0.014 (4) | 0.010 (4) | 0.007 (4) |
| C27A | 0.055 (7) | 0.033 (5) | 0.043 (6) | 0.006 (5) | −0.014 (6) | −0.003 (4) |
| C28A | 0.047 (7) | 0.035 (5) | 0.054 (7) | −0.005 (4) | −0.020 (6) | 0.011 (5) |
| C29A | 0.029 (5) | 0.036 (5) | 0.051 (6) | 0.001 (4) | 0.009 (5) | 0.013 (5) |
| C30A | 0.033 (5) | 0.034 (5) | 0.029 (5) | 0.005 (4) | 0.004 (4) | 0.005 (4) |
| C31A | 0.030 (5) | 0.035 (5) | 0.040 (6) | 0.008 (4) | −0.003 (5) | −0.004 (4) |
| C32A | 0.028 (5) | 0.018 (4) | 0.041 (6) | 0.001 (3) | 0.012 (4) | 0.002 (4) |
| C33A | 0.032 (5) | 0.048 (6) | 0.032 (6) | 0.007 (4) | 0.000 (4) | −0.010 (5) |
| C34A | 0.033 (6) | 0.080 (9) | 0.040 (7) | 0.021 (6) | 0.012 (5) | 0.023 (6) |
| C35A | 0.024 (5) | 0.060 (7) | 0.074 (9) | 0.000 (5) | 0.016 (6) | 0.033 (7) |
| C36A | 0.030 (6) | 0.044 (6) | 0.101 (11) | −0.019 (5) | 0.008 (7) | 0.027 (7) |
| C37A | 0.033 (6) | 0.038 (5) | 0.042 (6) | −0.009 (4) | 0.001 (5) | 0.006 (5) |
| C38A | 0.021 (4) | 0.016 (3) | 0.041 (6) | 0.002 (3) | 0.000 (4) | −0.005 (3) |
| C39A | 0.023 (5) | 0.021 (4) | 0.035 (5) | −0.005 (3) | 0.001 (4) | −0.004 (3) |
| C40A | 0.055 (7) | 0.031 (5) | 0.030 (5) | 0.002 (4) | 0.007 (5) | −0.004 (4) |
| C41A | 0.045 (6) | 0.038 (5) | 0.050 (7) | −0.006 (4) | 0.004 (5) | −0.011 (5) |
| C42A | 0.028 (5) | 0.033 (5) | 0.060 (7) | 0.000 (4) | 0.007 (5) | −0.015 (4) |
| C43A | 0.046 (6) | 0.032 (5) | 0.049 (7) | −0.006 (4) | 0.010 (5) | −0.008 (4) |
| C44A | 0.028 (5) | 0.020 (4) | 0.033 (5) | 0.005 (3) | 0.008 (4) | 0.009 (4) |
| C45A | 0.044 (6) | 0.021 (4) | 0.022 (5) | 0.000 (3) | 0.006 (4) | 0.001 (3) |
| C46A | 0.032 (5) | 0.035 (4) | 0.021 (5) | −0.017 (4) | −0.004 (4) | 0.011 (4) |
| C47A | 0.028 (5) | 0.031 (4) | 0.029 (5) | 0.003 (4) | −0.005 (4) | 0.010 (4) |
| C48A | 0.032 (5) | 0.025 (4) | 0.050 (6) | 0.005 (4) | 0.022 (5) | 0.015 (4) |
| C49A | 0.025 (5) | 0.026 (4) | 0.038 (6) | 0.002 (4) | 0.008 (4) | −0.010 (4) |
| C50A | 0.018 (4) | 0.026 (4) | 0.027 (5) | 0.000 (3) | 0.009 (4) | −0.004 (3) |
| C51A | 0.025 (5) | 0.018 (3) | 0.035 (5) | −0.002 (3) | 0.004 (4) | −0.005 (3) |
| C52A | 0.016 (4) | 0.021 (4) | 0.033 (5) | 0.001 (3) | −0.001 (4) | 0.003 (3) |
| Ru1B | 0.0209 (3) | 0.0121 (2) | 0.0210 (3) | −0.0001 (2) | −0.0020 (3) | 0.0000 (2) |
| Ru2B | 0.0174 (3) | 0.0125 (2) | 0.0234 (3) | 0.0012 (2) | −0.0031 (3) | −0.0005 (2) |
| Ru3B | 0.0188 (3) | 0.0156 (3) | 0.0199 (3) | 0.0014 (2) | −0.0027 (3) | −0.0007 (2) |
| As1B | 0.0158 (4) | 0.0100 (3) | 0.0212 (4) | 0.0000 (3) | −0.0006 (3) | 0.0010 (3) |
| As2B | 0.0141 (4) | 0.0097 (3) | 0.0235 (4) | 0.0002 (3) | −0.0014 (3) | 0.0014 (3) |
| P1B | 0.0237 (11) | 0.0152 (8) | 0.0225 (11) | 0.0001 (7) | −0.0034 (9) | −0.0016 (8) |
| O1B | 0.026 (3) | 0.044 (4) | 0.049 (5) | 0.014 (3) | 0.009 (3) | 0.009 (3) |
| O2B | 0.069 (4) | 0.0167 (18) | 0.055 (3) | −0.002 (2) | −0.006 (3) | 0.0006 (19) |
| O3B | 0.023 (4) | 0.037 (4) | 0.044 (4) | −0.005 (3) | 0.004 (3) | 0.012 (3) |
| O4B | 0.032 (4) | 0.055 (5) | 0.033 (4) | −0.004 (3) | 0.006 (3) | −0.020 (4) |
| O5B | 0.056 (5) | 0.020 (3) | 0.052 (5) | 0.014 (3) | −0.021 (4) | 0.006 (3) |
| O6B | 0.035 (4) | 0.052 (4) | 0.037 (4) | −0.012 (3) | 0.010 (3) | −0.011 (4) |
| O7B | 0.028 (3) | 0.031 (3) | 0.033 (4) | 0.000 (3) | 0.007 (3) | −0.002 (3) |
| O8B | 0.049 (4) | 0.021 (3) | 0.030 (4) | −0.002 (3) | −0.005 (3) | 0.008 (3) |
| O9B | 0.026 (4) | 0.047 (4) | 0.040 (4) | 0.016 (3) | −0.002 (3) | −0.005 (3) |
| O10B | 0.030 (3) | 0.017 (3) | 0.025 (3) | −0.004 (2) | −0.011 (3) | 0.004 (2) |
| O11B | 0.020 (2) | 0.0160 (18) | 0.052 (3) | −0.0006 (15) | −0.005 (2) | 0.0024 (19) |
| O12B | 0.027 (3) | 0.022 (3) | 0.039 (4) | −0.003 (2) | −0.002 (3) | −0.013 (2) |
| C1B | 0.024 (5) | 0.006 (3) | 0.025 (4) | 0.003 (3) | 0.000 (3) | 0.002 (3) |
| C2B | 0.021 (4) | 0.011 (3) | 0.037 (5) | −0.003 (3) | −0.004 (4) | 0.004 (3) |
| C3B | 0.020 (5) | 0.020 (4) | 0.051 (7) | 0.002 (3) | −0.015 (4) | 0.008 (4) |
| C4B | 0.028 (5) | 0.022 (4) | 0.037 (6) | 0.005 (3) | 0.003 (4) | 0.012 (4) |
| C5B | 0.037 (5) | 0.016 (4) | 0.038 (6) | 0.007 (3) | 0.004 (4) | 0.002 (4) |
| C6B | 0.024 (4) | 0.019 (4) | 0.029 (5) | 0.004 (3) | 0.007 (4) | 0.007 (3) |
| C7B | 0.020 (4) | 0.020 (4) | 0.022 (4) | 0.004 (3) | 0.000 (3) | 0.003 (3) |
| C8B | 0.028 (5) | 0.015 (3) | 0.033 (5) | −0.001 (3) | −0.002 (4) | −0.003 (3) |
| C9B | 0.051 (6) | 0.019 (4) | 0.023 (5) | 0.004 (4) | −0.001 (4) | 0.000 (3) |
| C10B | 0.026 (5) | 0.026 (4) | 0.036 (6) | 0.003 (3) | 0.005 (4) | 0.012 (4) |
| C11B | 0.019 (4) | 0.034 (5) | 0.036 (6) | −0.002 (3) | 0.000 (4) | 0.005 (4) |
| C12B | 0.016 (4) | 0.020 (4) | 0.030 (5) | −0.001 (3) | −0.001 (4) | 0.001 (3) |
| C13B | 0.017 (4) | 0.011 (3) | 0.031 (5) | −0.003 (3) | −0.005 (3) | 0.003 (3) |
| C14B | 0.015 (4) | 0.016 (3) | 0.029 (5) | −0.003 (3) | 0.004 (3) | −0.006 (3) |
| C15B | 0.023 (4) | 0.017 (3) | 0.030 (5) | 0.006 (3) | −0.002 (4) | −0.007 (3) |
| C16B | 0.032 (5) | 0.014 (3) | 0.039 (5) | 0.005 (3) | 0.007 (4) | −0.009 (3) |
| C17B | 0.026 (5) | 0.021 (4) | 0.026 (5) | −0.001 (3) | 0.005 (4) | −0.011 (3) |
| C19B | 0.019 (4) | 0.014 (3) | 0.030 (5) | 0.003 (3) | −0.006 (3) | 0.000 (3) |
| C18B | 0.025 (5) | 0.021 (4) | 0.026 (5) | −0.002 (3) | −0.002 (4) | −0.003 (3) |
| C20B | 0.022 (4) | 0.011 (3) | 0.025 (5) | −0.002 (3) | 0.006 (3) | −0.001 (3) |
| C21B | 0.031 (5) | 0.014 (3) | 0.029 (5) | −0.003 (3) | 0.005 (4) | 0.000 (3) |
| C22B | 0.047 (6) | 0.016 (3) | 0.022 (5) | −0.010 (3) | 0.005 (4) | 0.000 (3) |
| C23B | 0.033 (5) | 0.029 (4) | 0.034 (6) | −0.005 (4) | 0.005 (4) | −0.013 (4) |
| C24B | 0.024 (5) | 0.016 (4) | 0.043 (6) | −0.001 (3) | 0.001 (4) | −0.009 (4) |
| C25B | 0.021 (4) | 0.023 (4) | 0.031 (5) | −0.001 (3) | 0.003 (4) | 0.000 (3) |
| C26B | 0.031 (5) | 0.020 (4) | 0.018 (4) | −0.001 (3) | −0.009 (4) | 0.001 (3) |
| C27B | 0.020 (5) | 0.039 (5) | 0.038 (6) | 0.008 (4) | 0.005 (4) | 0.006 (4) |
| C28B | 0.026 (5) | 0.035 (5) | 0.061 (8) | 0.003 (4) | −0.005 (5) | 0.012 (5) |
| C29B | 0.031 (5) | 0.029 (4) | 0.046 (6) | −0.001 (4) | 0.002 (5) | 0.012 (4) |
| C30B | 0.028 (5) | 0.033 (4) | 0.028 (5) | −0.006 (4) | 0.001 (4) | −0.001 (4) |
| C31B | 0.030 (5) | 0.024 (4) | 0.021 (5) | 0.000 (3) | 0.004 (4) | −0.001 (3) |
| C32B | 0.025 (4) | 0.021 (4) | 0.026 (5) | 0.000 (3) | −0.004 (4) | 0.010 (3) |
| C33B | 0.031 (5) | 0.026 (4) | 0.019 (5) | 0.001 (3) | −0.001 (4) | 0.000 (3) |
| C34B | 0.040 (5) | 0.027 (4) | 0.023 (5) | −0.005 (4) | −0.009 (4) | 0.003 (3) |
| C35B | 0.022 (4) | 0.037 (5) | 0.036 (5) | −0.002 (4) | 0.005 (4) | 0.010 (4) |
| C36B | 0.030 (5) | 0.041 (6) | 0.051 (7) | 0.007 (4) | 0.011 (5) | −0.009 (5) |
| C37B | 0.035 (5) | 0.029 (4) | 0.037 (6) | −0.002 (4) | 0.001 (4) | −0.007 (4) |
| C38B | 0.018 (9) | 0.016 (5) | 0.037 (8) | 0.001 (5) | 0.007 (7) | −0.009 (5) |
| C39B | 0.022 (8) | 0.012 (5) | 0.030 (7) | −0.001 (5) | 0.015 (6) | 0.000 (5) |
| C40B | 0.051 (15) | 0.017 (6) | 0.038 (9) | 0.012 (7) | 0.001 (9) | −0.009 (5) |
| C41B | 0.066 (12) | 0.010 (5) | 0.044 (9) | −0.002 (7) | −0.003 (8) | −0.011 (5) |
| C42B | 0.082 (14) | 0.027 (6) | 0.069 (11) | 0.020 (9) | −0.026 (10) | −0.010 (7) |
| C43B | 0.043 (11) | 0.027 (7) | 0.054 (9) | 0.011 (7) | −0.020 (9) | −0.014 (6) |
| C44B | 0.035 (5) | 0.033 (4) | 0.009 (4) | 0.012 (4) | −0.001 (3) | 0.001 (3) |
| C45B | 0.029 (5) | 0.018 (3) | 0.038 (5) | 0.000 (3) | −0.013 (4) | 0.006 (4) |
| C46B | 0.030 (5) | 0.019 (4) | 0.028 (5) | −0.003 (3) | −0.002 (4) | 0.008 (3) |
| C47B | 0.028 (5) | 0.026 (4) | 0.039 (6) | −0.005 (4) | −0.015 (5) | −0.010 (4) |
| C48B | 0.041 (6) | 0.020 (4) | 0.046 (6) | 0.001 (4) | −0.010 (5) | 0.000 (4) |
| C49B | 0.025 (5) | 0.027 (4) | 0.030 (5) | −0.001 (3) | −0.010 (4) | 0.000 (4) |
| C50B | 0.027 (4) | 0.025 (4) | 0.018 (4) | −0.009 (3) | −0.003 (3) | 0.004 (3) |
| C51B | 0.025 (5) | 0.019 (4) | 0.031 (5) | 0.004 (3) | −0.008 (4) | −0.009 (3) |
| C52B | 0.033 (5) | 0.023 (4) | 0.032 (5) | 0.002 (4) | −0.013 (4) | 0.002 (4) |
| Ru1A—C45A | 1.900 (9) | Ru2B—C48B | 1.885 (9) |
| Ru1A—C44A | 1.911 (11) | Ru2B—C47B | 1.898 (12) |
| Ru1A—C46A | 1.929 (9) | Ru2B—C49B | 1.944 (10) |
| Ru1A—As1A | 2.4301 (12) | Ru2B—As2B | 2.4189 (11) |
| Ru1A—Ru3A | 2.8432 (10) | Ru2B—Ru3B | 2.8256 (9) |
| Ru1A—Ru2A | 2.8594 (8) | Ru3B—C51B | 1.892 (9) |
| Ru2A—C47A | 1.893 (10) | Ru3B—C52B | 1.941 (11) |
| Ru2A—C48A | 1.897 (9) | Ru3B—C50B | 1.956 (9) |
| Ru2A—C49A | 1.938 (11) | Ru3B—P1B | 2.247 (2) |
| Ru2A—As2A | 2.4423 (11) | As1B—C7B | 1.943 (9) |
| Ru2A—Ru3A | 2.8513 (10) | As1B—C1B | 1.958 (7) |
| Ru3A—C51A | 1.918 (9) | As1B—C13B | 1.966 (8) |
| Ru3A—C50A | 1.934 (10) | As2B—C20B | 1.940 (8) |
| Ru3A—C52A | 1.955 (9) | As2B—C13B | 1.956 (7) |
| Ru3A—P1A | 2.263 (2) | As2B—C14B | 1.961 (8) |
| As1A—C7A | 1.926 (9) | P1B—O11B | 1.558 (6) |
| As1A—C1A | 1.956 (8) | P1B—O10B | 1.608 (6) |
| As1A—C13A | 1.972 (7) | P1B—O12B | 1.618 (6) |
| As2A—C20A | 1.945 (8) | O1B—C44B | 1.144 (12) |
| As2A—C14A | 1.947 (8) | O2B—C45B | 1.156 (10) |
| As2A—C13A | 1.962 (7) | O3B—C46B | 1.154 (12) |
| P1A—O12A | 1.583 (7) | O4B—C47B | 1.178 (13) |
| P1A—O11A | 1.597 (7) | O5B—C48B | 1.145 (11) |
| P1A—O10A | 1.597 (7) | O6B—C49B | 1.155 (12) |
| O1A—C44A | 1.150 (12) | O7B—C50B | 1.149 (11) |
| O2A—C45A | 1.131 (11) | O8B—C51B | 1.158 (11) |
| O3A—C46A | 1.127 (11) | O9B—C52B | 1.154 (12) |
| O4A—C47A | 1.152 (11) | O10B—C26B | 1.391 (10) |
| O5A—C48A | 1.139 (11) | O11B—C32B | 1.440 (10) |
| O6A—C49A | 1.117 (12) | O12B—C38B | 1.358 (16) |
| O7A—C50A | 1.129 (11) | O12B—C38C | 1.46 (2) |
| O8A—C51A | 1.135 (11) | C1B—C2B | 1.358 (13) |
| O9A—C52A | 1.125 (10) | C1B—C6B | 1.398 (12) |
| O10A—C26A | 1.413 (10) | C2B—C3B | 1.405 (11) |
| O11A—C32A | 1.404 (11) | C2B—H2BA | 0.9300 |
| O12A—C38A | 1.396 (12) | C3B—C4B | 1.378 (14) |
| C1A—C6A | 1.383 (12) | C3B—H3BA | 0.9300 |
| C1A—C2A | 1.403 (13) | C4B—C5B | 1.372 (14) |
| C2A—C3A | 1.391 (11) | C4B—H4BA | 0.9300 |
| C2A—H2AA | 0.9300 | C5B—C6B | 1.389 (12) |
| C3A—C4A | 1.395 (13) | C5B—H5BA | 0.9300 |
| C3A—H3AA | 0.9300 | C6B—H6BA | 0.9300 |
| C4A—C5A | 1.392 (14) | C7B—C12B | 1.388 (12) |
| C4A—H4AA | 0.9300 | C7B—C8B | 1.397 (12) |
| C5A—C6A | 1.405 (12) | C8B—C9B | 1.405 (13) |
| C5A—H5AA | 0.9300 | C8B—H8BA | 0.9300 |
| C6A—H6AA | 0.9300 | C9B—C10B | 1.387 (13) |
| C7A—C8A | 1.397 (12) | C9B—H9BA | 0.9300 |
| C7A—C12A | 1.398 (12) | C10B—C11B | 1.366 (14) |
| C8A—C9A | 1.371 (13) | C10B—H10B | 0.9300 |
| C8A—H8AA | 0.9300 | C11B—C12B | 1.383 (14) |
| C9A—C10A | 1.371 (14) | C11B—H11B | 0.9300 |
| C9A—H9AA | 0.9300 | C12B—H12B | 0.9300 |
| C10A—C11A | 1.406 (15) | C13B—H13C | 0.9700 |
| C10A—H10A | 0.9300 | C13B—H13D | 0.9700 |
| C11A—C12A | 1.376 (14) | C14B—C19B | 1.381 (12) |
| C11A—H11A | 0.9300 | C14B—C15B | 1.384 (11) |
| C12A—H12A | 0.9300 | C15B—C16B | 1.385 (11) |
| C13A—H13A | 0.9700 | C15B—H15B | 0.9300 |
| C13A—H13B | 0.9700 | C16B—C17B | 1.357 (14) |
| C14A—C15A | 1.383 (11) | C16B—H16B | 0.9300 |
| C14A—C19A | 1.400 (12) | C17B—C18B | 1.399 (12) |
| C15A—C16A | 1.380 (12) | C17B—H17B | 0.9300 |
| C15A—H15A | 0.9300 | C19B—C18B | 1.398 (12) |
| C16A—C17A | 1.392 (14) | C19B—H19B | 0.9300 |
| C16A—H16A | 0.9300 | C18B—H18B | 0.9300 |
| C17A—C18A | 1.386 (13) | C20B—C21B | 1.385 (11) |
| C17A—H17A | 0.9300 | C20B—C25B | 1.387 (13) |
| C18A—C19A | 1.381 (12) | C21B—C22B | 1.382 (12) |
| C18A—H18A | 0.9300 | C21B—H21B | 0.9300 |
| C19A—H19A | 0.9300 | C22B—C23B | 1.369 (15) |
| C20A—C25A | 1.374 (12) | C22B—H22B | 0.9300 |
| C20A—C21A | 1.402 (11) | C23B—C24B | 1.366 (14) |
| C21A—C22A | 1.377 (11) | C23B—H23B | 0.9300 |
| C21A—H21A | 0.9300 | C24B—C25B | 1.383 (13) |
| C22A—C23A | 1.398 (14) | C24B—H24B | 0.9300 |
| C22A—H22A | 0.9300 | C25B—H25B | 0.9300 |
| C23A—C24A | 1.399 (13) | C26B—C27B | 1.386 (13) |
| C23A—H23A | 0.9300 | C26B—C31B | 1.395 (13) |
| C24A—C25A | 1.402 (12) | C27B—C28B | 1.373 (14) |
| C24A—H24A | 0.9300 | C27B—H27B | 0.9300 |
| C25A—H25A | 0.9300 | C28B—C29B | 1.399 (16) |
| C26A—C27A | 1.349 (15) | C28B—H28B | 0.9300 |
| C26A—C31A | 1.401 (14) | C29B—C30B | 1.342 (14) |
| C27A—C28A | 1.385 (15) | C29B—H29B | 0.9300 |
| C27A—H27A | 0.9300 | C30B—C31B | 1.376 (13) |
| C28A—C29A | 1.375 (15) | C30B—H30B | 0.9300 |
| C28A—H28A | 0.9300 | C31B—H31B | 0.9300 |
| C29A—C30A | 1.331 (14) | C32B—C37B | 1.352 (13) |
| C29A—H29A | 0.9300 | C32B—C33B | 1.372 (13) |
| C30A—C31A | 1.391 (13) | C33B—C34B | 1.385 (14) |
| C30A—H30A | 0.9300 | C33B—H33B | 0.9300 |
| C31A—H31A | 0.9300 | C34B—C35B | 1.387 (14) |
| C32A—C37A | 1.358 (14) | C34B—H34B | 0.9300 |
| C32A—C33A | 1.360 (15) | C35B—C36B | 1.394 (14) |
| C33A—C34A | 1.401 (16) | C35B—H35B | 0.9300 |
| C33A—H33A | 0.9300 | C36B—C37B | 1.399 (14) |
| C34A—C35A | 1.355 (18) | C36B—H36B | 0.9300 |
| C34A—H34A | 0.9300 | C37B—H37B | 0.9300 |
| C35A—C36A | 1.366 (19) | C38B—C39B | 1.375 (16) |
| C35A—H35A | 0.9300 | C38B—C43B | 1.380 (17) |
| C36A—C37A | 1.415 (15) | C39B—C40B | 1.362 (15) |
| C36A—H36A | 0.9300 | C39B—H39B | 0.9300 |
| C37A—H37A | 0.9300 | C40B—C41B | 1.369 (16) |
| C38A—C43A | 1.369 (13) | C40B—H40B | 0.9300 |
| C38A—C39A | 1.399 (14) | C41B—C42B | 1.423 (19) |
| C39A—C40A | 1.350 (13) | C41B—H41B | 0.9300 |
| C39A—H39A | 0.9300 | C42B—C43B | 1.364 (17) |
| C40A—C41A | 1.407 (15) | C42B—H42B | 0.9300 |
| C40A—H40A | 0.9300 | C43B—H43B | 0.9300 |
| C41A—C42A | 1.374 (14) | C38C—C43C | 1.379 (19) |
| C41A—H41A | 0.9300 | C38C—C39C | 1.380 (19) |
| C42A—C43A | 1.413 (14) | C39C—C40C | 1.364 (18) |
| C42A—H42A | 0.9300 | C39C—H39C | 0.9300 |
| C43A—H43A | 0.9300 | C40C—C41C | 1.370 (19) |
| Ru1B—C45B | 1.892 (8) | C40C—H40C | 0.9300 |
| Ru1B—C46B | 1.933 (10) | C41C—C42C | 1.42 (2) |
| Ru1B—C44B | 1.948 (10) | C41C—H41C | 0.9300 |
| Ru1B—As1B | 2.4025 (11) | C42C—C43C | 1.366 (19) |
| Ru1B—Ru3B | 2.8235 (10) | C42C—H42C | 0.9300 |
| Ru1B—Ru2B | 2.8613 (8) | C43C—H43C | 0.9300 |
| C45A—Ru1A—C44A | 88.9 (4) | C45B—Ru1B—Ru2B | 165.4 (3) |
| C45A—Ru1A—C46A | 95.8 (4) | C46B—Ru1B—Ru2B | 89.3 (3) |
| C44A—Ru1A—C46A | 174.4 (4) | C44B—Ru1B—Ru2B | 84.6 (3) |
| C45A—Ru1A—As1A | 102.9 (3) | As1B—Ru1B—Ru2B | 93.13 (3) |
| C44A—Ru1A—As1A | 96.3 (3) | Ru3B—Ru1B—Ru2B | 59.60 (2) |
| C46A—Ru1A—As1A | 85.5 (3) | C48B—Ru2B—C47B | 90.3 (5) |
| C45A—Ru1A—Ru3A | 104.9 (3) | C48B—Ru2B—C49B | 89.9 (4) |
| C44A—Ru1A—Ru3A | 81.8 (3) | C47B—Ru2B—C49B | 175.6 (4) |
| C46A—Ru1A—Ru3A | 94.1 (3) | C48B—Ru2B—As2B | 104.6 (3) |
| As1A—Ru1A—Ru3A | 152.08 (3) | C47B—Ru2B—As2B | 92.7 (3) |
| C45A—Ru1A—Ru2A | 164.8 (3) | C49B—Ru2B—As2B | 91.5 (3) |
| C44A—Ru1A—Ru2A | 86.9 (3) | C48B—Ru2B—Ru3B | 102.3 (3) |
| C46A—Ru1A—Ru2A | 87.7 (3) | C47B—Ru2B—Ru3B | 96.5 (3) |
| As1A—Ru1A—Ru2A | 92.12 (3) | C49B—Ru2B—Ru3B | 79.2 (3) |
| Ru3A—Ru1A—Ru2A | 60.00 (2) | As2B—Ru2B—Ru3B | 151.54 (3) |
| C47A—Ru2A—C48A | 91.4 (4) | C48B—Ru2B—Ru1B | 160.6 (3) |
| C47A—Ru2A—C49A | 175.2 (4) | C47B—Ru2B—Ru1B | 85.7 (3) |
| C48A—Ru2A—C49A | 91.3 (5) | C49B—Ru2B—Ru1B | 92.7 (3) |
| C47A—Ru2A—As2A | 91.2 (3) | As2B—Ru2B—Ru1B | 94.56 (3) |
| C48A—Ru2A—As2A | 103.7 (3) | Ru3B—Ru2B—Ru1B | 59.53 (2) |
| C49A—Ru2A—As2A | 92.0 (3) | C51B—Ru3B—C52B | 91.1 (4) |
| C47A—Ru2A—Ru3A | 78.3 (3) | C51B—Ru3B—C50B | 91.7 (4) |
| C48A—Ru2A—Ru3A | 101.1 (3) | C52B—Ru3B—C50B | 176.9 (4) |
| C49A—Ru2A—Ru3A | 97.4 (3) | C51B—Ru3B—P1B | 104.5 (3) |
| As2A—Ru2A—Ru3A | 153.27 (3) | C52B—Ru3B—P1B | 93.3 (3) |
| C47A—Ru2A—Ru1A | 88.3 (3) | C50B—Ru3B—P1B | 87.2 (2) |
| C48A—Ru2A—Ru1A | 160.4 (3) | C51B—Ru3B—Ru1B | 157.0 (3) |
| C49A—Ru2A—Ru1A | 87.7 (3) | C52B—Ru3B—Ru1B | 95.7 (3) |
| As2A—Ru2A—Ru1A | 95.90 (3) | C50B—Ru3B—Ru1B | 81.2 (2) |
| Ru3A—Ru2A—Ru1A | 59.72 (2) | P1B—Ru3B—Ru1B | 96.98 (6) |
| C51A—Ru3A—C50A | 90.9 (4) | C51B—Ru3B—Ru2B | 98.6 (3) |
| C51A—Ru3A—C52A | 92.3 (4) | C52B—Ru3B—Ru2B | 82.2 (3) |
| C50A—Ru3A—C52A | 176.7 (4) | C50B—Ru3B—Ru2B | 96.1 (2) |
| C51A—Ru3A—P1A | 106.4 (3) | P1B—Ru3B—Ru2B | 156.56 (7) |
| C50A—Ru3A—P1A | 91.0 (3) | Ru1B—Ru3B—Ru2B | 60.86 (2) |
| C52A—Ru3A—P1A | 87.5 (2) | C7B—As1B—C1B | 101.5 (3) |
| C51A—Ru3A—Ru1A | 154.3 (3) | C7B—As1B—C13B | 106.9 (4) |
| C50A—Ru3A—Ru1A | 96.1 (3) | C1B—As1B—C13B | 98.0 (3) |
| C52A—Ru3A—Ru1A | 81.1 (3) | C7B—As1B—Ru1B | 117.0 (3) |
| P1A—Ru3A—Ru1A | 98.13 (7) | C1B—As1B—Ru1B | 118.5 (3) |
| C51A—Ru3A—Ru2A | 96.8 (3) | C13B—As1B—Ru1B | 112.6 (3) |
| C50A—Ru3A—Ru2A | 81.0 (3) | C20B—As2B—C13B | 102.7 (3) |
| C52A—Ru3A—Ru2A | 99.1 (3) | C20B—As2B—C14B | 97.6 (3) |
| P1A—Ru3A—Ru2A | 155.62 (7) | C13B—As2B—C14B | 104.1 (4) |
| Ru1A—Ru3A—Ru2A | 60.28 (2) | C20B—As2B—Ru2B | 114.3 (3) |
| C7A—As1A—C1A | 101.5 (4) | C13B—As2B—Ru2B | 115.2 (2) |
| C7A—As1A—C13A | 105.6 (4) | C14B—As2B—Ru2B | 120.3 (3) |
| C1A—As1A—C13A | 97.4 (3) | O11B—P1B—O10B | 97.5 (3) |
| C7A—As1A—Ru1A | 117.0 (3) | O11B—P1B—O12B | 102.3 (3) |
| C1A—As1A—Ru1A | 118.7 (3) | O10B—P1B—O12B | 103.9 (3) |
| C13A—As1A—Ru1A | 114.0 (3) | O11B—P1B—Ru3B | 119.7 (3) |
| C20A—As2A—C14A | 96.3 (3) | O10B—P1B—Ru3B | 120.5 (2) |
| C20A—As2A—C13A | 103.7 (3) | O12B—P1B—Ru3B | 110.4 (2) |
| C14A—As2A—C13A | 104.8 (4) | C26B—O10B—P1B | 123.8 (5) |
| C20A—As2A—Ru2A | 114.5 (3) | C32B—O11B—P1B | 130.5 (5) |
| C14A—As2A—Ru2A | 120.7 (3) | C38B—O12B—P1B | 130.3 (11) |
| C13A—As2A—Ru2A | 114.2 (2) | C38C—O12B—P1B | 119.1 (15) |
| O12A—P1A—O11A | 100.9 (3) | C2B—C1B—C6B | 120.6 (8) |
| O12A—P1A—O10A | 97.9 (4) | C2B—C1B—As1B | 118.9 (6) |
| O11A—P1A—O10A | 102.0 (4) | C6B—C1B—As1B | 120.3 (7) |
| O12A—P1A—Ru3A | 120.3 (3) | C1B—C2B—C3B | 119.8 (9) |
| O11A—P1A—Ru3A | 121.7 (2) | C1B—C2B—H2BA | 120.1 |
| O10A—P1A—Ru3A | 110.3 (3) | C3B—C2B—H2BA | 120.1 |
| C26A—O10A—P1A | 128.8 (7) | C4B—C3B—C2B | 119.7 (9) |
| C32A—O11A—P1A | 125.3 (6) | C4B—C3B—H3BA | 120.2 |
| C38A—O12A—P1A | 133.4 (6) | C2B—C3B—H3BA | 120.2 |
| C6A—C1A—C2A | 120.0 (8) | C5B—C4B—C3B | 120.3 (9) |
| C6A—C1A—As1A | 121.0 (7) | C5B—C4B—H4BA | 119.8 |
| C2A—C1A—As1A | 119.0 (6) | C3B—C4B—H4BA | 119.8 |
| C3A—C2A—C1A | 120.5 (8) | C4B—C5B—C6B | 120.4 (9) |
| C3A—C2A—H2AA | 119.8 | C4B—C5B—H5BA | 119.8 |
| C1A—C2A—H2AA | 119.8 | C6B—C5B—H5BA | 119.8 |
| C2A—C3A—C4A | 119.8 (9) | C5B—C6B—C1B | 119.1 (9) |
| C2A—C3A—H3AA | 120.1 | C5B—C6B—H6BA | 120.5 |
| C4A—C3A—H3AA | 120.1 | C1B—C6B—H6BA | 120.5 |
| C5A—C4A—C3A | 119.5 (8) | C12B—C7B—C8B | 117.7 (8) |
| C5A—C4A—H4AA | 120.2 | C12B—C7B—As1B | 117.9 (7) |
| C3A—C4A—H4AA | 120.2 | C8B—C7B—As1B | 124.4 (7) |
| C4A—C5A—C6A | 120.9 (8) | C7B—C8B—C9B | 120.1 (8) |
| C4A—C5A—H5AA | 119.6 | C7B—C8B—H8BA | 120.0 |
| C6A—C5A—H5AA | 119.6 | C9B—C8B—H8BA | 120.0 |
| C1A—C6A—C5A | 119.3 (9) | C10B—C9B—C8B | 120.4 (9) |
| C1A—C6A—H6AA | 120.3 | C10B—C9B—H9BA | 119.8 |
| C5A—C6A—H6AA | 120.3 | C8B—C9B—H9BA | 119.8 |
| C8A—C7A—C12A | 119.9 (8) | C11B—C10B—C9B | 119.6 (10) |
| C8A—C7A—As1A | 123.9 (6) | C11B—C10B—H10B | 120.2 |
| C12A—C7A—As1A | 116.2 (7) | C9B—C10B—H10B | 120.2 |
| C9A—C8A—C7A | 119.8 (9) | C10B—C11B—C12B | 120.2 (9) |
| C9A—C8A—H8AA | 120.1 | C10B—C11B—H11B | 119.9 |
| C7A—C8A—H8AA | 120.1 | C12B—C11B—H11B | 119.9 |
| C8A—C9A—C10A | 120.8 (9) | C11B—C12B—C7B | 122.1 (9) |
| C8A—C9A—H9AA | 119.6 | C11B—C12B—H12B | 118.9 |
| C10A—C9A—H9AA | 119.6 | C7B—C12B—H12B | 118.9 |
| C9A—C10A—C11A | 120.0 (9) | As2B—C13B—As1B | 112.0 (4) |
| C9A—C10A—H10A | 120.0 | As2B—C13B—H13C | 109.2 |
| C11A—C10A—H10A | 120.0 | As1B—C13B—H13C | 109.2 |
| C12A—C11A—C10A | 119.8 (9) | As2B—C13B—H13D | 109.2 |
| C12A—C11A—H11A | 120.1 | As1B—C13B—H13D | 109.2 |
| C10A—C11A—H11A | 120.1 | H13C—C13B—H13D | 107.9 |
| C11A—C12A—C7A | 119.7 (9) | C19B—C14B—C15B | 119.4 (8) |
| C11A—C12A—H12A | 120.2 | C19B—C14B—As2B | 122.0 (6) |
| C7A—C12A—H12A | 120.2 | C15B—C14B—As2B | 118.2 (7) |
| As2A—C13A—As1A | 111.3 (4) | C14B—C15B—C16B | 121.2 (9) |
| As2A—C13A—H13A | 109.4 | C14B—C15B—H15B | 119.4 |
| As1A—C13A—H13A | 109.4 | C16B—C15B—H15B | 119.4 |
| As2A—C13A—H13B | 109.4 | C17B—C16B—C15B | 120.0 (8) |
| As1A—C13A—H13B | 109.4 | C17B—C16B—H16B | 120.0 |
| H13A—C13A—H13B | 108.0 | C15B—C16B—H16B | 120.0 |
| C15A—C14A—C19A | 119.1 (8) | C16B—C17B—C18B | 119.8 (8) |
| C15A—C14A—As2A | 118.3 (6) | C16B—C17B—H17B | 120.1 |
| C19A—C14A—As2A | 122.0 (6) | C18B—C17B—H17B | 120.1 |
| C16A—C15A—C14A | 120.5 (8) | C14B—C19B—C18B | 119.3 (8) |
| C16A—C15A—H15A | 119.8 | C14B—C19B—H19B | 120.3 |
| C14A—C15A—H15A | 119.8 | C18B—C19B—H19B | 120.3 |
| C15A—C16A—C17A | 120.0 (8) | C19B—C18B—C17B | 120.3 (8) |
| C15A—C16A—H16A | 120.0 | C19B—C18B—H18B | 119.9 |
| C17A—C16A—H16A | 120.0 | C17B—C18B—H18B | 119.9 |
| C18A—C17A—C16A | 120.2 (9) | C21B—C20B—C25B | 117.8 (8) |
| C18A—C17A—H17A | 119.9 | C21B—C20B—As2B | 118.0 (7) |
| C16A—C17A—H17A | 119.9 | C25B—C20B—As2B | 124.0 (6) |
| C19A—C18A—C17A | 119.4 (9) | C22B—C21B—C20B | 122.2 (9) |
| C19A—C18A—H18A | 120.3 | C22B—C21B—H21B | 118.9 |
| C17A—C18A—H18A | 120.3 | C20B—C21B—H21B | 118.9 |
| C18A—C19A—C14A | 120.8 (8) | C23B—C22B—C21B | 118.6 (9) |
| C18A—C19A—H19A | 119.6 | C23B—C22B—H22B | 120.7 |
| C14A—C19A—H19A | 119.6 | C21B—C22B—H22B | 120.7 |
| C25A—C20A—C21A | 121.1 (8) | C24B—C23B—C22B | 120.6 (9) |
| C25A—C20A—As2A | 123.1 (6) | C24B—C23B—H23B | 119.7 |
| C21A—C20A—As2A | 115.5 (6) | C22B—C23B—H23B | 119.7 |
| C22A—C21A—C20A | 119.2 (8) | C23B—C24B—C25B | 120.7 (9) |
| C22A—C21A—H21A | 120.4 | C23B—C24B—H24B | 119.7 |
| C20A—C21A—H21A | 120.4 | C25B—C24B—H24B | 119.7 |
| C21A—C22A—C23A | 121.0 (8) | C24B—C25B—C20B | 120.1 (8) |
| C21A—C22A—H22A | 119.5 | C24B—C25B—H25B | 119.9 |
| C23A—C22A—H22A | 119.5 | C20B—C25B—H25B | 119.9 |
| C22A—C23A—C24A | 119.0 (8) | C27B—C26B—O10B | 117.0 (9) |
| C22A—C23A—H23A | 120.5 | C27B—C26B—C31B | 120.7 (9) |
| C24A—C23A—H23A | 120.5 | O10B—C26B—C31B | 122.3 (8) |
| C23A—C24A—C25A | 120.2 (9) | C28B—C27B—C26B | 118.9 (10) |
| C23A—C24A—H24A | 119.9 | C28B—C27B—H27B | 120.6 |
| C25A—C24A—H24A | 119.9 | C26B—C27B—H27B | 120.6 |
| C20A—C25A—C24A | 119.4 (8) | C27B—C28B—C29B | 119.8 (10) |
| C20A—C25A—H25A | 120.3 | C27B—C28B—H28B | 120.1 |
| C24A—C25A—H25A | 120.3 | C29B—C28B—H28B | 120.1 |
| C27A—C26A—C31A | 121.5 (9) | C30B—C29B—C28B | 121.0 (10) |
| C27A—C26A—O10A | 114.8 (9) | C30B—C29B—H29B | 119.5 |
| C31A—C26A—O10A | 123.7 (9) | C28B—C29B—H29B | 119.5 |
| C26A—C27A—C28A | 119.2 (10) | C29B—C30B—C31B | 120.5 (10) |
| C26A—C27A—H27A | 120.4 | C29B—C30B—H30B | 119.7 |
| C28A—C27A—H27A | 120.4 | C31B—C30B—H30B | 119.7 |
| C29A—C28A—C27A | 120.1 (10) | C30B—C31B—C26B | 119.1 (9) |
| C29A—C28A—H28A | 120.0 | C30B—C31B—H31B | 120.4 |
| C27A—C28A—H28A | 120.0 | C26B—C31B—H31B | 120.4 |
| C30A—C29A—C28A | 120.4 (10) | C37B—C32B—C33B | 121.2 (9) |
| C30A—C29A—H29A | 119.8 | C37B—C32B—O11B | 120.4 (8) |
| C28A—C29A—H29A | 119.8 | C33B—C32B—O11B | 118.3 (8) |
| C29A—C30A—C31A | 121.7 (10) | C32B—C33B—C34B | 119.0 (9) |
| C29A—C30A—H30A | 119.1 | C32B—C33B—H33B | 120.5 |
| C31A—C30A—H30A | 119.1 | C34B—C33B—H33B | 120.5 |
| C30A—C31A—C26A | 117.1 (10) | C33B—C34B—C35B | 120.8 (9) |
| C30A—C31A—H31A | 121.4 | C33B—C34B—H34B | 119.6 |
| C26A—C31A—H31A | 121.4 | C35B—C34B—H34B | 119.6 |
| C37A—C32A—C33A | 122.2 (10) | C34B—C35B—C36B | 119.6 (9) |
| C37A—C32A—O11A | 120.1 (10) | C34B—C35B—H35B | 120.2 |
| C33A—C32A—O11A | 117.7 (9) | C36B—C35B—H35B | 120.2 |
| C32A—C33A—C34A | 118.8 (11) | C35B—C36B—C37B | 118.4 (9) |
| C32A—C33A—H33A | 120.6 | C35B—C36B—H36B | 120.8 |
| C34A—C33A—H33A | 120.6 | C37B—C36B—H36B | 120.8 |
| C35A—C34A—C33A | 120.6 (12) | C32B—C37B—C36B | 121.0 (9) |
| C35A—C34A—H34A | 119.7 | C32B—C37B—H37B | 119.5 |
| C33A—C34A—H34A | 119.7 | C36B—C37B—H37B | 119.5 |
| C34A—C35A—C36A | 119.8 (11) | O12B—C38B—C39B | 121.9 (13) |
| C34A—C35A—H35A | 120.1 | O12B—C38B—C43B | 117.7 (14) |
| C36A—C35A—H35A | 120.1 | C39B—C38B—C43B | 120.5 (12) |
| C35A—C36A—C37A | 120.6 (11) | C40B—C39B—C38B | 119.2 (12) |
| C35A—C36A—H36A | 119.7 | C40B—C39B—H39B | 120.4 |
| C37A—C36A—H36A | 119.7 | C38B—C39B—H39B | 120.4 |
| C32A—C37A—C36A | 117.9 (11) | C39B—C40B—C41B | 121.7 (14) |
| C32A—C37A—H37A | 121.0 | C39B—C40B—H40B | 119.1 |
| C36A—C37A—H37A | 121.0 | C41B—C40B—H40B | 119.1 |
| C43A—C38A—O12A | 115.3 (9) | C40B—C41B—C42B | 118.1 (13) |
| C43A—C38A—C39A | 120.7 (9) | C40B—C41B—H41B | 120.9 |
| O12A—C38A—C39A | 123.7 (8) | C42B—C41B—H41B | 120.9 |
| C40A—C39A—C38A | 120.8 (9) | C43B—C42B—C41B | 118.5 (14) |
| C40A—C39A—H39A | 119.6 | C43B—C42B—H42B | 120.7 |
| C38A—C39A—H39A | 119.6 | C41B—C42B—H42B | 120.7 |
| C39A—C40A—C41A | 118.8 (10) | C42B—C43B—C38B | 120.0 (14) |
| C39A—C40A—H40A | 120.6 | C42B—C43B—H43B | 120.0 |
| C41A—C40A—H40A | 120.6 | C38B—C43B—H43B | 120.0 |
| C42A—C41A—C40A | 121.6 (10) | C43C—C38C—C39C | 119.4 (18) |
| C42A—C41A—H41A | 119.2 | C43C—C38C—O12B | 122.1 (18) |
| C40A—C41A—H41A | 119.2 | C39C—C38C—O12B | 118.5 (17) |
| C41A—C42A—C43A | 118.6 (9) | C40C—C39C—C38C | 118.5 (18) |
| C41A—C42A—H42A | 120.7 | C40C—C39C—H39C | 120.8 |
| C43A—C42A—H42A | 120.7 | C38C—C39C—H39C | 120.8 |
| C38A—C43A—C42A | 119.3 (10) | C39C—C40C—C41C | 121 (2) |
| C38A—C43A—H43A | 120.3 | C39C—C40C—H40C | 119.5 |
| C42A—C43A—H43A | 120.3 | C41C—C40C—H40C | 119.5 |
| O1A—C44A—Ru1A | 173.7 (8) | C40C—C41C—C42C | 117.0 (18) |
| O2A—C45A—Ru1A | 176.5 (10) | C40C—C41C—H41C | 121.5 |
| O3A—C46A—Ru1A | 172.6 (8) | C42C—C41C—H41C | 121.5 |
| O4A—C47A—Ru2A | 172.7 (9) | C43C—C42C—C41C | 120.1 (17) |
| O5A—C48A—Ru2A | 177.1 (10) | C43C—C42C—H42C | 120.0 |
| O6A—C49A—Ru2A | 171.9 (9) | C41C—C42C—H42C | 120.0 |
| O7A—C50A—Ru3A | 172.7 (8) | C42C—C43C—C38C | 120.0 (18) |
| O8A—C51A—Ru3A | 176.1 (8) | C42C—C43C—H43C | 120.0 |
| O9A—C52A—Ru3A | 173.0 (8) | C38C—C43C—H43C | 120.0 |
| C45B—Ru1B—C46B | 88.0 (4) | O1B—C44B—Ru1B | 174.0 (8) |
| C45B—Ru1B—C44B | 97.7 (4) | O2B—C45B—Ru1B | 176.7 (10) |
| C46B—Ru1B—C44B | 173.8 (4) | O3B—C46B—Ru1B | 174.8 (8) |
| C45B—Ru1B—As1B | 101.4 (3) | O4B—C47B—Ru2B | 173.4 (8) |
| C46B—Ru1B—As1B | 95.1 (3) | O5B—C48B—Ru2B | 177.0 (10) |
| C44B—Ru1B—As1B | 86.2 (3) | O6B—C49B—Ru2B | 173.3 (8) |
| C45B—Ru1B—Ru3B | 105.8 (3) | O7B—C50B—Ru3B | 173.7 (7) |
| C46B—Ru1B—Ru3B | 82.5 (3) | O8B—C51B—Ru3B | 176.1 (8) |
| C44B—Ru1B—Ru3B | 93.6 (2) | O9B—C52B—Ru3B | 173.0 (9) |
| As1B—Ru1B—Ru3B | 152.57 (3) | ||
| C45A—Ru1A—Ru2A—C47A | 85.1 (12) | Ru3B—Ru1B—Ru2B—C47B | 100.1 (3) |
| C44A—Ru1A—Ru2A—C47A | 159.7 (4) | C45B—Ru1B—Ru2B—C49B | −78.3 (13) |
| C46A—Ru1A—Ru2A—C47A | −18.7 (4) | C46B—Ru1B—Ru2B—C49B | −157.5 (4) |
| As1A—Ru1A—Ru2A—C47A | −104.1 (3) | C44B—Ru1B—Ru2B—C49B | 21.6 (4) |
| Ru3A—Ru1A—Ru2A—C47A | 77.4 (3) | As1B—Ru1B—Ru2B—C49B | 107.5 (3) |
| C45A—Ru1A—Ru2A—C48A | −4.5 (16) | Ru3B—Ru1B—Ru2B—C49B | −75.8 (3) |
| C44A—Ru1A—Ru2A—C48A | 70.0 (11) | C45B—Ru1B—Ru2B—As2B | −170.1 (13) |
| C46A—Ru1A—Ru2A—C48A | −108.3 (11) | C46B—Ru1B—Ru2B—As2B | 110.8 (3) |
| As1A—Ru1A—Ru2A—C48A | 166.2 (11) | C44B—Ru1B—Ru2B—As2B | −70.1 (3) |
| Ru3A—Ru1A—Ru2A—C48A | −12.2 (11) | As1B—Ru1B—Ru2B—As2B | 15.70 (4) |
| C45A—Ru1A—Ru2A—C49A | −92.2 (12) | Ru3B—Ru1B—Ru2B—As2B | −167.52 (4) |
| C44A—Ru1A—Ru2A—C49A | −17.6 (4) | C45B—Ru1B—Ru2B—Ru3B | −2.5 (13) |
| C46A—Ru1A—Ru2A—C49A | 164.0 (4) | C46B—Ru1B—Ru2B—Ru3B | −81.7 (3) |
| As1A—Ru1A—Ru2A—C49A | 78.6 (3) | C44B—Ru1B—Ru2B—Ru3B | 97.4 (3) |
| Ru3A—Ru1A—Ru2A—C49A | −99.9 (3) | As1B—Ru1B—Ru2B—Ru3B | −176.78 (4) |
| C45A—Ru1A—Ru2A—As2A | 176.1 (12) | C45B—Ru1B—Ru3B—C51B | −151.8 (8) |
| C44A—Ru1A—Ru2A—As2A | −109.3 (3) | C46B—Ru1B—Ru3B—C51B | 122.5 (8) |
| C46A—Ru1A—Ru2A—As2A | 72.3 (3) | C44B—Ru1B—Ru3B—C51B | −52.7 (7) |
| As1A—Ru1A—Ru2A—As2A | −13.14 (4) | As1B—Ru1B—Ru3B—C51B | 35.9 (7) |
| Ru3A—Ru1A—Ru2A—As2A | 168.37 (4) | Ru2B—Ru1B—Ru3B—C51B | 28.9 (7) |
| C45A—Ru1A—Ru2A—Ru3A | 7.7 (12) | C45B—Ru1B—Ru3B—C52B | 101.6 (4) |
| C44A—Ru1A—Ru2A—Ru3A | 82.3 (3) | C46B—Ru1B—Ru3B—C52B | 15.8 (4) |
| C46A—Ru1A—Ru2A—Ru3A | −96.1 (3) | C44B—Ru1B—Ru3B—C52B | −159.3 (4) |
| As1A—Ru1A—Ru2A—Ru3A | 178.49 (4) | As1B—Ru1B—Ru3B—C52B | −70.8 (3) |
| C45A—Ru1A—Ru3A—C51A | 153.0 (7) | Ru2B—Ru1B—Ru3B—C52B | −77.8 (3) |
| C44A—Ru1A—Ru3A—C51A | −120.3 (7) | C45B—Ru1B—Ru3B—C50B | −78.5 (4) |
| C46A—Ru1A—Ru3A—C51A | 55.8 (7) | C46B—Ru1B—Ru3B—C50B | −164.3 (4) |
| As1A—Ru1A—Ru3A—C51A | −32.4 (6) | C44B—Ru1B—Ru3B—C50B | 20.5 (3) |
| Ru2A—Ru1A—Ru3A—C51A | −29.1 (6) | As1B—Ru1B—Ru3B—C50B | 109.1 (2) |
| C45A—Ru1A—Ru3A—C50A | −101.9 (4) | Ru2B—Ru1B—Ru3B—C50B | 102.1 (2) |
| C44A—Ru1A—Ru3A—C50A | −15.2 (4) | C45B—Ru1B—Ru3B—P1B | 7.5 (3) |
| C46A—Ru1A—Ru3A—C50A | 161.0 (4) | C46B—Ru1B—Ru3B—P1B | −78.3 (3) |
| As1A—Ru1A—Ru3A—C50A | 72.8 (3) | C44B—Ru1B—Ru3B—P1B | 106.6 (3) |
| Ru2A—Ru1A—Ru3A—C50A | 76.0 (3) | As1B—Ru1B—Ru3B—P1B | −164.88 (10) |
| C45A—Ru1A—Ru3A—C52A | 76.2 (4) | Ru2B—Ru1B—Ru3B—P1B | −171.88 (7) |
| C44A—Ru1A—Ru3A—C52A | 162.9 (4) | C45B—Ru1B—Ru3B—Ru2B | 179.3 (3) |
| C46A—Ru1A—Ru3A—C52A | −20.9 (4) | C46B—Ru1B—Ru3B—Ru2B | 93.6 (3) |
| As1A—Ru1A—Ru3A—C52A | −109.1 (2) | C44B—Ru1B—Ru3B—Ru2B | −81.6 (3) |
| Ru2A—Ru1A—Ru3A—C52A | −105.9 (2) | As1B—Ru1B—Ru3B—Ru2B | 7.00 (8) |
| C45A—Ru1A—Ru3A—P1A | −10.0 (3) | C48B—Ru2B—Ru3B—C51B | 18.2 (5) |
| C44A—Ru1A—Ru3A—P1A | 76.7 (3) | C47B—Ru2B—Ru3B—C51B | 109.9 (4) |
| C46A—Ru1A—Ru3A—P1A | −107.1 (3) | C49B—Ru2B—Ru3B—C51B | −69.3 (4) |
| As1A—Ru1A—Ru3A—P1A | 164.70 (10) | As2B—Ru2B—Ru3B—C51B | −142.1 (3) |
| Ru2A—Ru1A—Ru3A—P1A | 167.93 (7) | Ru1B—Ru2B—Ru3B—C51B | −169.0 (3) |
| C45A—Ru1A—Ru3A—Ru2A | −177.9 (3) | C48B—Ru2B—Ru3B—C52B | −71.8 (5) |
| C44A—Ru1A—Ru3A—Ru2A | −91.2 (3) | C47B—Ru2B—Ru3B—C52B | 19.9 (4) |
| C46A—Ru1A—Ru3A—Ru2A | 85.0 (3) | C49B—Ru2B—Ru3B—C52B | −159.2 (4) |
| As1A—Ru1A—Ru3A—Ru2A | −3.23 (8) | As2B—Ru2B—Ru3B—C52B | 127.9 (3) |
| C47A—Ru2A—Ru3A—C51A | 72.7 (4) | Ru1B—Ru2B—Ru3B—C52B | 101.0 (3) |
| C48A—Ru2A—Ru3A—C51A | −16.4 (5) | C48B—Ru2B—Ru3B—C50B | 110.9 (4) |
| C49A—Ru2A—Ru3A—C51A | −109.2 (4) | C47B—Ru2B—Ru3B—C50B | −157.4 (4) |
| As2A—Ru2A—Ru3A—C51A | 141.3 (3) | C49B—Ru2B—Ru3B—C50B | 23.4 (4) |
| Ru1A—Ru2A—Ru3A—C51A | 167.7 (3) | As2B—Ru2B—Ru3B—C50B | −49.5 (2) |
| C47A—Ru2A—Ru3A—C50A | 162.6 (4) | Ru1B—Ru2B—Ru3B—C50B | −76.3 (2) |
| C48A—Ru2A—Ru3A—C50A | 73.5 (5) | C48B—Ru2B—Ru3B—P1B | −152.1 (4) |
| C49A—Ru2A—Ru3A—C50A | −19.4 (4) | C47B—Ru2B—Ru3B—P1B | −60.5 (3) |
| As2A—Ru2A—Ru3A—C50A | −128.9 (3) | C49B—Ru2B—Ru3B—P1B | 120.4 (3) |
| Ru1A—Ru2A—Ru3A—C50A | −102.4 (3) | As2B—Ru2B—Ru3B—P1B | 47.5 (2) |
| C47A—Ru2A—Ru3A—C52A | −20.7 (4) | Ru1B—Ru2B—Ru3B—P1B | 20.64 (17) |
| C48A—Ru2A—Ru3A—C52A | −109.9 (4) | C48B—Ru2B—Ru3B—Ru1B | −172.8 (4) |
| C49A—Ru2A—Ru3A—C52A | 157.3 (4) | C47B—Ru2B—Ru3B—Ru1B | −81.1 (3) |
| As2A—Ru2A—Ru3A—C52A | 47.8 (3) | C49B—Ru2B—Ru3B—Ru1B | 99.7 (3) |
| Ru1A—Ru2A—Ru3A—C52A | 74.2 (2) | As2B—Ru2B—Ru3B—Ru1B | 26.88 (8) |
| C47A—Ru2A—Ru3A—P1A | −125.1 (3) | C45B—Ru1B—As1B—C7B | −86.5 (4) |
| C48A—Ru2A—Ru3A—P1A | 145.7 (4) | C46B—Ru1B—As1B—C7B | 2.4 (4) |
| C49A—Ru2A—Ru3A—P1A | 52.9 (3) | C44B—Ru1B—As1B—C7B | 176.3 (4) |
| As2A—Ru2A—Ru3A—P1A | −56.58 (19) | Ru3B—Ru1B—As1B—C7B | 86.0 (3) |
| Ru1A—Ru2A—Ru3A—P1A | −30.11 (16) | Ru2B—Ru1B—As1B—C7B | 92.0 (3) |
| C47A—Ru2A—Ru3A—Ru1A | −95.0 (3) | C45B—Ru1B—As1B—C1B | 35.6 (4) |
| C48A—Ru2A—Ru3A—Ru1A | 175.9 (4) | C46B—Ru1B—As1B—C1B | 124.6 (4) |
| C49A—Ru2A—Ru3A—Ru1A | 83.0 (3) | C44B—Ru1B—As1B—C1B | −61.5 (4) |
| As2A—Ru2A—Ru3A—Ru1A | −26.47 (8) | Ru3B—Ru1B—As1B—C1B | −151.9 (3) |
| C45A—Ru1A—As1A—C7A | 84.8 (4) | Ru2B—Ru1B—As1B—C1B | −145.9 (3) |
| C44A—Ru1A—As1A—C7A | −5.5 (4) | C45B—Ru1B—As1B—C13B | 149.0 (4) |
| C46A—Ru1A—As1A—C7A | 179.8 (4) | C46B—Ru1B—As1B—C13B | −122.0 (4) |
| Ru3A—Ru1A—As1A—C7A | −89.9 (3) | C44B—Ru1B—As1B—C13B | 51.9 (4) |
| Ru2A—Ru1A—As1A—C7A | −92.7 (3) | Ru3B—Ru1B—As1B—C13B | −38.5 (3) |
| C45A—Ru1A—As1A—C1A | −37.4 (4) | Ru2B—Ru1B—As1B—C13B | −32.5 (3) |
| C44A—Ru1A—As1A—C1A | −127.8 (4) | C48B—Ru2B—As2B—C20B | −62.6 (4) |
| C46A—Ru1A—As1A—C1A | 57.5 (4) | C47B—Ru2B—As2B—C20B | −153.6 (4) |
| Ru3A—Ru1A—As1A—C1A | 147.9 (3) | C49B—Ru2B—As2B—C20B | 27.7 (4) |
| Ru2A—Ru1A—As1A—C1A | 145.1 (3) | Ru3B—Ru2B—As2B—C20B | 97.5 (3) |
| C45A—Ru1A—As1A—C13A | −151.3 (4) | Ru1B—Ru2B—As2B—C20B | 120.5 (2) |
| C44A—Ru1A—As1A—C13A | 118.3 (4) | C48B—Ru2B—As2B—C13B | 178.8 (5) |
| C46A—Ru1A—As1A—C13A | −56.4 (4) | C47B—Ru2B—As2B—C13B | 87.8 (4) |
| Ru3A—Ru1A—As1A—C13A | 34.0 (3) | C49B—Ru2B—As2B—C13B | −90.9 (4) |
| Ru2A—Ru1A—As1A—C13A | 31.2 (3) | Ru3B—Ru2B—As2B—C13B | −21.0 (3) |
| C47A—Ru2A—As2A—C20A | −36.1 (4) | Ru1B—Ru2B—As2B—C13B | 2.0 (3) |
| C48A—Ru2A—As2A—C20A | 55.7 (5) | C48B—Ru2B—As2B—C14B | 53.0 (5) |
| C49A—Ru2A—As2A—C20A | 147.5 (4) | C47B—Ru2B—As2B—C14B | −38.0 (4) |
| Ru3A—Ru2A—As2A—C20A | −101.8 (3) | C49B—Ru2B—As2B—C14B | 143.2 (4) |
| Ru1A—Ru2A—As2A—C20A | −124.5 (3) | Ru3B—Ru2B—As2B—C14B | −146.9 (3) |
| C47A—Ru2A—As2A—C14A | −150.3 (4) | Ru1B—Ru2B—As2B—C14B | −123.9 (3) |
| C48A—Ru2A—As2A—C14A | −58.5 (5) | C51B—Ru3B—P1B—O11B | −146.9 (4) |
| C49A—Ru2A—As2A—C14A | 33.3 (4) | C52B—Ru3B—P1B—O11B | −54.9 (4) |
| Ru3A—Ru2A—As2A—C14A | 144.0 (3) | C50B—Ru3B—P1B—O11B | 122.1 (4) |
| Ru1A—Ru2A—As2A—C14A | 121.3 (3) | Ru1B—Ru3B—P1B—O11B | 41.3 (3) |
| C47A—Ru2A—As2A—C13A | 83.3 (4) | Ru2B—Ru3B—P1B—O11B | 23.2 (4) |
| C48A—Ru2A—As2A—C13A | 175.1 (5) | C51B—Ru3B—P1B—O10B | −26.3 (4) |
| C49A—Ru2A—As2A—C13A | −93.1 (4) | C52B—Ru3B—P1B—O10B | 65.7 (4) |
| Ru3A—Ru2A—As2A—C13A | 17.6 (3) | C50B—Ru3B—P1B—O10B | −117.3 (4) |
| Ru1A—Ru2A—As2A—C13A | −5.2 (3) | Ru1B—Ru3B—P1B—O10B | 161.9 (3) |
| C51A—Ru3A—P1A—O12A | −124.1 (4) | Ru2B—Ru3B—P1B—O10B | 143.8 (3) |
| C50A—Ru3A—P1A—O12A | 144.6 (4) | C51B—Ru3B—P1B—O12B | 94.8 (4) |
| C52A—Ru3A—P1A—O12A | −32.4 (4) | C52B—Ru3B—P1B—O12B | −173.1 (4) |
| Ru1A—Ru3A—P1A—O12A | 48.2 (3) | C50B—Ru3B—P1B—O12B | 3.8 (4) |
| Ru2A—Ru3A—P1A—O12A | 74.3 (4) | Ru1B—Ru3B—P1B—O12B | −76.9 (3) |
| C51A—Ru3A—P1A—O11A | 4.0 (4) | Ru2B—Ru3B—P1B—O12B | −95.0 (3) |
| C50A—Ru3A—P1A—O11A | −87.3 (4) | O11B—P1B—O10B—C26B | 163.7 (7) |
| C52A—Ru3A—P1A—O11A | 95.7 (4) | O12B—P1B—O10B—C26B | −91.6 (7) |
| Ru1A—Ru3A—P1A—O11A | 176.3 (3) | Ru3B—P1B—O10B—C26B | 32.6 (8) |
| Ru2A—Ru3A—P1A—O11A | −157.5 (3) | O10B—P1B—O11B—C32B | −8.4 (8) |
| C51A—Ru3A—P1A—O10A | 123.2 (4) | O12B—P1B—O11B—C32B | −114.5 (7) |
| C50A—Ru3A—P1A—O10A | 31.9 (4) | Ru3B—P1B—O11B—C32B | 123.2 (7) |
| C52A—Ru3A—P1A—O10A | −145.1 (4) | O11B—P1B—O12B—C38B | 43.5 (12) |
| Ru1A—Ru3A—P1A—O10A | −64.4 (3) | O10B—P1B—O12B—C38B | −57.5 (12) |
| Ru2A—Ru3A—P1A—O10A | −38.3 (4) | Ru3B—P1B—O12B—C38B | 172.0 (11) |
| O12A—P1A—O10A—C26A | 63.0 (9) | O11B—P1B—O12B—C38C | 39.3 (12) |
| O11A—P1A—O10A—C26A | −39.9 (9) | O10B—P1B—O12B—C38C | −61.8 (12) |
| Ru3A—P1A—O10A—C26A | −170.5 (7) | Ru3B—P1B—O12B—C38C | 167.7 (11) |
| O12A—P1A—O11A—C32A | 147.5 (8) | C7B—As1B—C1B—C2B | −50.7 (8) |
| O10A—P1A—O11A—C32A | −111.9 (8) | C13B—As1B—C1B—C2B | 58.4 (8) |
| Ru3A—P1A—O11A—C32A | 11.3 (9) | Ru1B—As1B—C1B—C2B | 179.7 (6) |
| O11A—P1A—O12A—C38A | −36.0 (9) | C7B—As1B—C1B—C6B | 134.4 (7) |
| O10A—P1A—O12A—C38A | −140.0 (8) | C13B—As1B—C1B—C6B | −116.5 (7) |
| Ru3A—P1A—O12A—C38A | 101.0 (8) | Ru1B—As1B—C1B—C6B | 4.7 (8) |
| C7A—As1A—C1A—C6A | −131.5 (7) | C6B—C1B—C2B—C3B | −1.3 (13) |
| C13A—As1A—C1A—C6A | 120.8 (7) | As1B—C1B—C2B—C3B | −176.2 (7) |
| Ru1A—As1A—C1A—C6A | −1.8 (8) | C1B—C2B—C3B—C4B | 0.6 (14) |
| C7A—As1A—C1A—C2A | 49.3 (7) | C2B—C3B—C4B—C5B | −0.9 (15) |
| C13A—As1A—C1A—C2A | −58.3 (7) | C3B—C4B—C5B—C6B | 1.8 (15) |
| Ru1A—As1A—C1A—C2A | 179.1 (6) | C4B—C5B—C6B—C1B | −2.4 (14) |
| C6A—C1A—C2A—C3A | −1.4 (13) | C2B—C1B—C6B—C5B | 2.2 (13) |
| As1A—C1A—C2A—C3A | 177.8 (6) | As1B—C1B—C6B—C5B | 177.0 (7) |
| C1A—C2A—C3A—C4A | 1.5 (13) | C1B—As1B—C7B—C12B | −79.3 (7) |
| C2A—C3A—C4A—C5A | −1.7 (13) | C13B—As1B—C7B—C12B | 178.6 (6) |
| C3A—C4A—C5A—C6A | 1.8 (13) | Ru1B—As1B—C7B—C12B | 51.3 (7) |
| C2A—C1A—C6A—C5A | 1.5 (13) | C1B—As1B—C7B—C8B | 102.7 (8) |
| As1A—C1A—C6A—C5A | −177.7 (6) | C13B—As1B—C7B—C8B | 0.6 (8) |
| C4A—C5A—C6A—C1A | −1.7 (13) | Ru1B—As1B—C7B—C8B | −126.8 (7) |
| C1A—As1A—C7A—C8A | −99.9 (8) | C12B—C7B—C8B—C9B | 0.5 (13) |
| C13A—As1A—C7A—C8A | 1.2 (8) | As1B—C7B—C8B—C9B | 178.5 (7) |
| Ru1A—As1A—C7A—C8A | 129.3 (7) | C7B—C8B—C9B—C10B | −0.8 (14) |
| C1A—As1A—C7A—C12A | 81.3 (7) | C8B—C9B—C10B—C11B | 1.2 (14) |
| C13A—As1A—C7A—C12A | −177.5 (7) | C9B—C10B—C11B—C12B | −1.3 (14) |
| Ru1A—As1A—C7A—C12A | −49.5 (7) | C10B—C11B—C12B—C7B | 1.0 (14) |
| C12A—C7A—C8A—C9A | 1.4 (14) | C8B—C7B—C12B—C11B | −0.6 (13) |
| As1A—C7A—C8A—C9A | −177.3 (7) | As1B—C7B—C12B—C11B | −178.8 (7) |
| C7A—C8A—C9A—C10A | −1.1 (15) | C20B—As2B—C13B—As1B | −149.4 (4) |
| C8A—C9A—C10A—C11A | 0.3 (15) | C14B—As2B—C13B—As1B | 109.3 (5) |
| C9A—C10A—C11A—C12A | 0.1 (15) | Ru2B—As2B—C13B—As1B | −24.6 (5) |
| C10A—C11A—C12A—C7A | 0.2 (15) | C7B—As1B—C13B—As2B | −90.3 (5) |
| C8A—C7A—C12A—C11A | −0.9 (14) | C1B—As1B—C13B—As2B | 165.0 (5) |
| As1A—C7A—C12A—C11A | 177.8 (7) | Ru1B—As1B—C13B—As2B | 39.5 (5) |
| C20A—As2A—C13A—As1A | 152.3 (4) | C20B—As2B—C14B—C19B | −75.1 (7) |
| C14A—As2A—C13A—As1A | −107.3 (4) | C13B—As2B—C14B—C19B | 30.1 (8) |
| Ru2A—As2A—C13A—As1A | 27.0 (5) | Ru2B—As2B—C14B—C19B | 160.9 (6) |
| C7A—As1A—C13A—As2A | 89.5 (5) | C20B—As2B—C14B—C15B | 97.3 (7) |
| C1A—As1A—C13A—As2A | −166.3 (4) | C13B—As2B—C14B—C15B | −157.5 (7) |
| Ru1A—As1A—C13A—As2A | −40.3 (5) | Ru2B—As2B—C14B—C15B | −26.6 (8) |
| C20A—As2A—C14A—C15A | −94.7 (7) | C19B—C14B—C15B—C16B | 1.6 (14) |
| C13A—As2A—C14A—C15A | 159.2 (6) | As2B—C14B—C15B—C16B | −171.1 (7) |
| Ru2A—As2A—C14A—C15A | 28.6 (7) | C14B—C15B—C16B—C17B | −3.0 (15) |
| C20A—As2A—C14A—C19A | 76.5 (7) | C15B—C16B—C17B—C18B | 2.1 (14) |
| C13A—As2A—C14A—C19A | −29.6 (7) | C15B—C14B—C19B—C18B | 0.7 (13) |
| Ru2A—As2A—C14A—C19A | −160.2 (6) | As2B—C14B—C19B—C18B | 173.1 (6) |
| C19A—C14A—C15A—C16A | 1.2 (13) | C14B—C19B—C18B—C17B | −1.6 (13) |
| As2A—C14A—C15A—C16A | 172.7 (7) | C16B—C17B—C18B—C19B | 0.1 (14) |
| C14A—C15A—C16A—C17A | −1.0 (14) | C13B—As2B—C20B—C21B | 164.8 (7) |
| C15A—C16A—C17A—C18A | 0.4 (14) | C14B—As2B—C20B—C21B | −88.9 (7) |
| C16A—C17A—C18A—C19A | −0.1 (14) | Ru2B—As2B—C20B—C21B | 39.4 (7) |
| C17A—C18A—C19A—C14A | 0.3 (13) | C13B—As2B—C20B—C25B | −21.0 (8) |
| C15A—C14A—C19A—C18A | −0.9 (13) | C14B—As2B—C20B—C25B | 85.4 (8) |
| As2A—C14A—C19A—C18A | −172.0 (7) | Ru2B—As2B—C20B—C25B | −146.4 (7) |
| C14A—As2A—C20A—C25A | −88.8 (7) | C25B—C20B—C21B—C22B | 0.2 (13) |
| C13A—As2A—C20A—C25A | 18.2 (8) | As2B—C20B—C21B—C22B | 174.8 (7) |
| Ru2A—As2A—C20A—C25A | 143.3 (6) | C20B—C21B—C22B—C23B | −0.9 (14) |
| C14A—As2A—C20A—C21A | 85.1 (7) | C21B—C22B—C23B—C24B | 0.9 (14) |
| C13A—As2A—C20A—C21A | −168.0 (6) | C22B—C23B—C24B—C25B | −0.3 (14) |
| Ru2A—As2A—C20A—C21A | −42.8 (7) | C23B—C24B—C25B—C20B | −0.4 (14) |
| C25A—C20A—C21A—C22A | −0.2 (13) | C21B—C20B—C25B—C24B | 0.4 (13) |
| As2A—C20A—C21A—C22A | −174.1 (7) | As2B—C20B—C25B—C24B | −173.9 (7) |
| C20A—C21A—C22A—C23A | −0.4 (13) | P1B—O10B—C26B—C27B | −113.5 (9) |
| C21A—C22A—C23A—C24A | 0.8 (14) | P1B—O10B—C26B—C31B | 69.0 (10) |
| C22A—C23A—C24A—C25A | −0.6 (14) | O10B—C26B—C27B—C28B | −176.5 (9) |
| C21A—C20A—C25A—C24A | 0.3 (13) | C31B—C26B—C27B—C28B | 1.1 (15) |
| As2A—C20A—C25A—C24A | 173.8 (7) | C26B—C27B—C28B—C29B | −0.3 (17) |
| C23A—C24A—C25A—C20A | 0.1 (14) | C27B—C28B—C29B—C30B | −0.4 (17) |
| P1A—O10A—C26A—C27A | 152.0 (8) | C28B—C29B—C30B—C31B | 0.2 (16) |
| P1A—O10A—C26A—C31A | −29.4 (14) | C29B—C30B—C31B—C26B | 0.7 (14) |
| C31A—C26A—C27A—C28A | −0.6 (17) | C27B—C26B—C31B—C30B | −1.3 (14) |
| O10A—C26A—C27A—C28A | 178.0 (10) | O10B—C26B—C31B—C30B | 176.1 (8) |
| C26A—C27A—C28A—C29A | −0.4 (17) | P1B—O11B—C32B—C37B | −106.0 (10) |
| C27A—C28A—C29A—C30A | 1.5 (16) | P1B—O11B—C32B—C33B | 76.9 (9) |
| C28A—C29A—C30A—C31A | −1.7 (16) | C37B—C32B—C33B—C34B | −0.2 (13) |
| C29A—C30A—C31A—C26A | 0.7 (15) | O11B—C32B—C33B—C34B | 176.9 (7) |
| C27A—C26A—C31A—C30A | 0.4 (16) | C32B—C33B—C34B—C35B | −0.9 (13) |
| O10A—C26A—C31A—C30A | −178.0 (9) | C33B—C34B—C35B—C36B | 0.8 (14) |
| P1A—O11A—C32A—C37A | 79.0 (11) | C34B—C35B—C36B—C37B | 0.4 (15) |
| P1A—O11A—C32A—C33A | −101.5 (10) | C33B—C32B—C37B—C36B | 1.4 (15) |
| C37A—C32A—C33A—C34A | 1.8 (16) | O11B—C32B—C37B—C36B | −175.7 (9) |
| O11A—C32A—C33A—C34A | −177.7 (9) | C35B—C36B—C37B—C32B | −1.5 (16) |
| C32A—C33A—C34A—C35A | −1.9 (17) | C38C—O12B—C38B—C39B | 99 (8) |
| C33A—C34A—C35A—C36A | 2.0 (19) | P1B—O12B—C38B—C39B | 80 (2) |
| C34A—C35A—C36A—C37A | −2(2) | C38C—O12B—C38B—C43B | −82 (7) |
| C33A—C32A—C37A—C36A | −1.7 (17) | P1B—O12B—C38B—C43B | −100 (2) |
| O11A—C32A—C37A—C36A | 177.8 (10) | O12B—C38B—C39B—C40B | −177 (2) |
| C35A—C36A—C37A—C32A | 1.8 (19) | C43B—C38B—C39B—C40B | 3(3) |
| P1A—O12A—C38A—C43A | −134.9 (9) | C38B—C39B—C40B—C41B | −3(4) |
| P1A—O12A—C38A—C39A | 50.9 (13) | C39B—C40B—C41B—C42B | −7(4) |
| C43A—C38A—C39A—C40A | −1.3 (15) | C40B—C41B—C42B—C43B | 16 (4) |
| O12A—C38A—C39A—C40A | 172.6 (9) | C41B—C42B—C43B—C38B | −15 (4) |
| C38A—C39A—C40A—C41A | 3.8 (15) | O12B—C38B—C43B—C42B | −174 (2) |
| C39A—C40A—C41A—C42A | −2.1 (16) | C39B—C38B—C43B—C42B | 6(4) |
| C40A—C41A—C42A—C43A | −2.0 (16) | C38B—O12B—C38C—C43C | 103 (8) |
| O12A—C38A—C43A—C42A | −177.3 (9) | P1B—O12B—C38C—C43C | −93 (3) |
| C39A—C38A—C43A—C42A | −2.9 (15) | C38B—O12B—C38C—C39C | −79 (7) |
| C41A—C42A—C43A—C38A | 4.5 (15) | P1B—O12B—C38C—C39C | 85 (3) |
| C45B—Ru1B—Ru2B—C48B | 19.1 (17) | C43C—C38C—C39C—C40C | −19 (5) |
| C46B—Ru1B—Ru2B—C48B | −60.0 (11) | O12B—C38C—C39C—C40C | 163 (3) |
| C44B—Ru1B—Ru2B—C48B | 119.1 (11) | C38C—C39C—C40C—C41C | 23 (6) |
| As1B—Ru1B—Ru2B—C48B | −155.1 (11) | C39C—C40C—C41C—C42C | −19 (6) |
| Ru3B—Ru1B—Ru2B—C48B | 21.7 (11) | C40C—C41C—C42C—C43C | 10 (4) |
| C45B—Ru1B—Ru2B—C47B | 97.6 (13) | C41C—C42C—C43C—C38C | −6(4) |
| C46B—Ru1B—Ru2B—C47B | 18.4 (4) | C39C—C38C—C43C—C42C | 10 (5) |
| C44B—Ru1B—Ru2B—C47B | −162.5 (4) | O12B—C38C—C43C—C42C | −172 (3) |
| As1B—Ru1B—Ru2B—C47B | −76.7 (3) |
| Cg1, Cg2, Cg3 , Cg4, Cg5, Cg6 and Cg7 are the centroids of the C1B–C6B, C1A–C6A, C14A–C19A, C14A–C19A, C7A–C12A, C20B–C25B and C20A–C25A benzene rings, respectively. |
| H··· | ||||
| C31A—H31A···O12A | 0.93 | 2.42 | 3.014 (13) | 121 |
| C39A—H39A···O11A | 0.93 | 2.38 | 2.959 (11) | 120 |
| C43B—H43B···O2B | 0.93 | 2.53 | 3.42 (2) | 158 |
| C11A—H11A···Cg1i | 0.93 | 2.95 | 3.742 (12) | 144 |
| C11B—H11B···Cg2ii | 0.93 | 2.85 | 3.664 (10) | 147 |
| C16A—H16A···Cg1iii | 0.93 | 2.82 | 3.668 (10) | 151 |
| C16B—H16B···Cg2 | 0.93 | 2.82 | 3.627 (10) | 146 |
| C24A—H24A···Cg3iv | 0.93 | 2.96 | 3.719 (10) | 140 |
| C24B—H24B···Cg4v | 0.93 | 2.91 | 3.679 (10) | 141 |
| C36B—H36B···Cg5ii | 0.93 | 2.85 | 3.756 (12) | 166 |
| C40A—H40A···Cg6vi | 0.93 | 2.82 | 3.660 (10) | 150 |
| C40B—H40B···Cg7vii | 0.93 | 2.71 | 3.55 (2) | 150 |
| C40C—H40C···Cg7vii | 0.93 | 2.70 | 3.56 (3) | 154 |
Hydrogen-bond geometry (Å, °)
Cg1, Cg2, Cg3, Cg4, Cg5, Cg6 and Cg7 are the centroids of the C1B–C6B, C1A–C6A, C14A–C19A, C14A–C19A, C7A–C12A, C20B–C25B and C20A–C25A benzene rings, respectively.
| H⋯ | ||||
|---|---|---|---|---|
| C31 | 0.93 | 2.42 | 3.014 (13) | 121 |
| C39 | 0.93 | 2.38 | 2.959 (11) | 120 |
| C43 | 0.93 | 2.53 | 3.42 (2) | 158 |
| C11 | 0.93 | 2.95 | 3.742 (12) | 144 |
| C11 | 0.93 | 2.85 | 3.664 (10) | 147 |
| C16 | 0.93 | 2.82 | 3.668 (10) | 151 |
| C16 | 0.93 | 2.82 | 3.627 (10) | 146 |
| C24 | 0.93 | 2.96 | 3.719 (10) | 140 |
| C24 | 0.93 | 2.91 | 3.679 (10) | 141 |
| C36 | 0.93 | 2.85 | 3.756 (12) | 166 |
| C40 | 0.93 | 2.82 | 3.660 (10) | 150 |
| C40 | 0.93 | 2.71 | 3.55 (2) | 150 |
| C40 | 0.93 | 2.70 | 3.56 (3) | 154 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) .