| Literature DB >> 21522864 |
Omar Bin Shawkataly, Imthyaz Ahmed Khan, H A Hafiz Malik, Chin Sing Yeap, Hoong-Kun Fun.
Abstract
The asymmetric unit of the title compound, [Ru(3)(C(29)H(30)P(2))(CO)(10)].1/8CH(3)OH, contains two triangulo-triruthenium mol-ecules with similar configurations and a methanol solvent mol-ecule (fractional site occupancy for the latter = 0.25). The bis-(di-o-tolyl-phosphan-yl)methane ligand bridges an Ru-Ru bond and its P atoms are equatorial with respect to the Ru(3) triangle. The phosphine-substituted Ru atoms each bear one equatorial and two axial terminal carbonyl ligands whereas the unsubstituted Ru atom carries two equatorial and two axial terminal carbonyl ligands. The dihedral angles between the two benzene rings attached to each P atom are 76.26 (13) and 74.76 (15)° for the first mol-ecule and 77.21 (13) and 75.68 (14)° for the second. In the crystal, mol-ecules are linked into [001] chains via inter-molecular C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π inter-actions also occur.Entities:
Year: 2011 PMID: 21522864 PMCID: PMC3051575 DOI: 10.1107/S1600536811000791
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| 8[Ru3(C29H30P2)(CO)10]·CH4O | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 9981 reflections |
| θ = 2.5–31.9° | |
| µ = 1.25 mm−1 | |
| β = 106.561 (1)° | Needle, orange |
| 0.23 × 0.10 × 0.06 mm | |
| Bruker APEXII DUO CCD diffractometer | 28473 independent reflections |
| Radiation source: fine-focus sealed tube | 20091 reflections with |
| graphite | |
| φ and ω scans | θmax = 32.4°, θmin = 1.9° |
| Absorption correction: multi-scan ( | |
| 107136 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 | |
| 28473 reflections | (Δ/σ)max = 0.002 |
| 990 parameters | Δρmax = 1.14 e Å−3 |
| 1 restraint | Δρmin = −0.72 e Å−3 |
| Experimental. The crystal was placed in the cold stream of an Oxford Cryosystems Cobra open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K. |
| Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
| Refinement. Refinement of |
| Occ. (<1) | |||||
| Ru1A | 0.220302 (9) | 0.677332 (10) | 0.085362 (11) | 0.01552 (4) | |
| Ru2A | 0.101706 (9) | 0.679317 (10) | 0.107074 (11) | 0.01676 (4) | |
| Ru3A | 0.155914 (10) | 0.555256 (11) | 0.087520 (12) | 0.02137 (5) | |
| P1A | 0.23685 (3) | 0.79201 (3) | 0.11282 (3) | 0.01575 (12) | |
| P2A | 0.09283 (3) | 0.79598 (3) | 0.09101 (3) | 0.01690 (12) | |
| O1A | 0.29531 (9) | 0.64003 (11) | 0.24630 (11) | 0.0303 (4) | |
| O2A | 0.14958 (9) | 0.70117 (11) | −0.08085 (10) | 0.0286 (4) | |
| O3A | 0.33234 (9) | 0.63612 (11) | 0.03704 (11) | 0.0343 (5) | |
| O4A | 0.17311 (9) | 0.69638 (10) | 0.27390 (10) | 0.0279 (4) | |
| O5A | 0.02466 (9) | 0.66139 (10) | −0.05763 (10) | 0.0276 (4) | |
| O6A | −0.01057 (10) | 0.63248 (12) | 0.15217 (12) | 0.0405 (6) | |
| O7A | 0.18600 (13) | 0.54704 (12) | 0.25985 (12) | 0.0469 (6) | |
| O8A | 0.11455 (10) | 0.55392 (11) | −0.08609 (12) | 0.0376 (5) | |
| O9A | 0.26875 (10) | 0.47068 (11) | 0.09090 (13) | 0.0384 (5) | |
| O10A | 0.05042 (12) | 0.45816 (14) | 0.07945 (16) | 0.0622 (8) | |
| C1A | 0.26433 (11) | 0.84455 (13) | 0.04703 (13) | 0.0186 (5) | |
| C2A | 0.27857 (12) | 0.91336 (14) | 0.05881 (15) | 0.0241 (5) | |
| C3A | 0.29300 (13) | 0.94867 (15) | 0.00094 (16) | 0.0290 (6) | |
| H3AA | 0.3026 | 0.9941 | 0.0078 | 0.035* | |
| C4A | 0.29350 (13) | 0.91861 (15) | −0.06618 (16) | 0.0304 (6) | |
| H4AA | 0.3021 | 0.9441 | −0.1041 | 0.037* | |
| C5A | 0.28134 (12) | 0.85113 (15) | −0.07691 (15) | 0.0261 (6) | |
| H5AA | 0.2826 | 0.8303 | −0.1214 | 0.031* | |
| C6A | 0.26713 (11) | 0.81470 (13) | −0.02028 (14) | 0.0203 (5) | |
| H6AA | 0.2592 | 0.7689 | −0.0273 | 0.024* | |
| C7A | 0.28948 (11) | 0.80688 (12) | 0.20754 (13) | 0.0177 (5) | |
| C8A | 0.35360 (12) | 0.80422 (13) | 0.22137 (14) | 0.0206 (5) | |
| C9A | 0.39014 (13) | 0.81449 (14) | 0.29506 (15) | 0.0270 (6) | |
| H9AA | 0.4326 | 0.8136 | 0.3046 | 0.032* | |
| C10A | 0.36610 (14) | 0.82584 (14) | 0.35419 (15) | 0.0303 (6) | |
| H10A | 0.3920 | 0.8335 | 0.4024 | 0.036* | |
| C11A | 0.30257 (14) | 0.82582 (14) | 0.34126 (15) | 0.0277 (6) | |
| H11A | 0.2856 | 0.8319 | 0.3810 | 0.033* | |
| C12A | 0.26502 (13) | 0.81657 (13) | 0.26826 (14) | 0.0233 (5) | |
| H12A | 0.2226 | 0.8168 | 0.2595 | 0.028* | |
| C13A | 0.16700 (11) | 0.84055 (13) | 0.11510 (15) | 0.0207 (5) | |
| H13A | 0.1742 | 0.8590 | 0.1654 | 0.025* | |
| H13B | 0.1630 | 0.8782 | 0.0808 | 0.025* | |
| C14A | 0.05547 (11) | 0.82095 (12) | −0.00663 (13) | 0.0184 (5) | |
| C15A | −0.00846 (12) | 0.81429 (13) | −0.03756 (14) | 0.0222 (5) | |
| C16A | −0.03425 (13) | 0.83291 (14) | −0.11266 (15) | 0.0270 (6) | |
| H16A | −0.0766 | 0.8298 | −0.1333 | 0.032* | |
| C17A | 0.00073 (14) | 0.85565 (15) | −0.15703 (15) | 0.0307 (6) | |
| H17A | −0.0179 | 0.8682 | −0.2067 | 0.037* | |
| C18A | 0.06415 (14) | 0.85982 (15) | −0.12748 (16) | 0.0305 (6) | |
| H18A | 0.0883 | 0.8739 | −0.1576 | 0.037* | |
| C19A | 0.09110 (12) | 0.84276 (14) | −0.05254 (15) | 0.0232 (5) | |
| H19A | 0.1335 | 0.8459 | −0.0326 | 0.028* | |
| C20A | 0.05500 (12) | 0.84311 (14) | 0.15128 (14) | 0.0238 (5) | |
| C21A | 0.03789 (15) | 0.91107 (17) | 0.14213 (18) | 0.0368 (7) | |
| C22A | 0.01195 (18) | 0.9402 (2) | 0.1944 (2) | 0.0509 (10) | |
| H22A | −0.0012 | 0.9846 | 0.1876 | 0.061* | |
| C23A | 0.00516 (15) | 0.9050 (2) | 0.25650 (19) | 0.0448 (9) | |
| H23A | −0.0118 | 0.9260 | 0.2908 | 0.054* | |
| C24A | 0.02358 (14) | 0.83938 (18) | 0.26684 (17) | 0.0363 (7) | |
| H24A | 0.0201 | 0.8156 | 0.3087 | 0.044* | |
| C25A | 0.04761 (12) | 0.80862 (16) | 0.21368 (14) | 0.0259 (6) | |
| H25A | 0.0591 | 0.7637 | 0.2201 | 0.031* | |
| C26A | 0.28218 (14) | 0.95086 (14) | 0.13111 (16) | 0.0302 (6) | |
| H26A | 0.2807 | 0.9983 | 0.1216 | 0.045* | |
| H26B | 0.3200 | 0.9399 | 0.1683 | 0.045* | |
| H26C | 0.2482 | 0.9382 | 0.1493 | 0.045* | |
| C27A | 0.38495 (13) | 0.79109 (16) | 0.16094 (16) | 0.0309 (6) | |
| H27A | 0.4269 | 0.7783 | 0.1841 | 0.046* | |
| H27B | 0.3839 | 0.8311 | 0.1316 | 0.046* | |
| H27C | 0.3641 | 0.7555 | 0.1287 | 0.046* | |
| C28A | −0.05019 (12) | 0.78985 (16) | 0.00726 (16) | 0.0307 (6) | |
| H28A | −0.0865 | 0.7706 | −0.0263 | 0.046* | |
| H28B | −0.0614 | 0.8269 | 0.0338 | 0.046* | |
| H28C | −0.0292 | 0.7565 | 0.0428 | 0.046* | |
| C29A | 0.0455 (2) | 0.95446 (19) | 0.0783 (2) | 0.0667 (14) | |
| H29A | 0.0342 | 0.9999 | 0.0855 | 0.100* | |
| H29B | 0.0195 | 0.9378 | 0.0312 | 0.100* | |
| H29C | 0.0875 | 0.9532 | 0.0774 | 0.100* | |
| C30A | 0.26436 (12) | 0.65347 (13) | 0.18781 (15) | 0.0217 (5) | |
| C31A | 0.17239 (12) | 0.69159 (13) | −0.01808 (15) | 0.0215 (5) | |
| C32A | 0.29057 (12) | 0.65169 (14) | 0.05549 (14) | 0.0225 (5) | |
| C33A | 0.14982 (12) | 0.68880 (13) | 0.21078 (15) | 0.0216 (5) | |
| C34A | 0.05662 (12) | 0.66612 (13) | 0.00228 (15) | 0.0220 (5) | |
| C35A | 0.03166 (13) | 0.65093 (15) | 0.13479 (15) | 0.0256 (6) | |
| C36A | 0.17545 (15) | 0.55492 (15) | 0.19671 (17) | 0.0324 (6) | |
| C37A | 0.13004 (13) | 0.55914 (14) | −0.02258 (16) | 0.0268 (6) | |
| C38A | 0.22584 (14) | 0.50192 (14) | 0.08860 (16) | 0.0277 (6) | |
| C39A | 0.08977 (15) | 0.49406 (16) | 0.08308 (19) | 0.0377 (7) | |
| Ru1B | 0.282548 (9) | 0.326339 (10) | 0.936357 (11) | 0.01576 (4) | |
| Ru2B | 0.399429 (9) | 0.309121 (10) | 0.911319 (11) | 0.01557 (4) | |
| Ru3B | 0.354149 (10) | 0.440860 (10) | 0.922137 (12) | 0.02002 (5) | |
| P1B | 0.25992 (3) | 0.21187 (3) | 0.91452 (3) | 0.01521 (12) | |
| P2B | 0.40317 (3) | 0.19375 (3) | 0.93823 (3) | 0.01592 (12) | |
| O1B | 0.21008 (10) | 0.36087 (11) | 0.77383 (11) | 0.0333 (5) | |
| O2B | 0.35113 (9) | 0.30992 (10) | 1.10464 (10) | 0.0276 (4) | |
| O3B | 0.17110 (9) | 0.37604 (11) | 0.98056 (11) | 0.0341 (5) | |
| O4B | 0.32795 (9) | 0.28896 (10) | 0.74471 (10) | 0.0260 (4) | |
| O5B | 0.47536 (9) | 0.33369 (10) | 1.07514 (10) | 0.0254 (4) | |
| O6B | 0.51458 (9) | 0.34127 (12) | 0.86489 (12) | 0.0348 (5) | |
| O7B | 0.32373 (13) | 0.43605 (11) | 0.74972 (12) | 0.0489 (7) | |
| O8B | 0.39854 (10) | 0.45298 (11) | 1.09512 (11) | 0.0333 (5) | |
| O9B | 0.24943 (10) | 0.53881 (11) | 0.91616 (14) | 0.0419 (6) | |
| O10B | 0.46223 (11) | 0.52956 (13) | 0.91726 (16) | 0.0551 (7) | |
| C1B | 0.22076 (11) | 0.19372 (12) | 0.81543 (13) | 0.0179 (5) | |
| C2B | 0.15836 (11) | 0.20918 (13) | 0.78421 (14) | 0.0204 (5) | |
| C3B | 0.13122 (13) | 0.19456 (14) | 0.70791 (15) | 0.0249 (6) | |
| H3BA | 0.0896 | 0.2031 | 0.6869 | 0.030* | |
| C4B | 0.16457 (15) | 0.16782 (15) | 0.66293 (16) | 0.0312 (7) | |
| H4BA | 0.1454 | 0.1586 | 0.6124 | 0.037* | |
| C5B | 0.22658 (14) | 0.15480 (15) | 0.69321 (15) | 0.0283 (6) | |
| H5BA | 0.2495 | 0.1377 | 0.6630 | 0.034* | |
| C6B | 0.25418 (12) | 0.16751 (13) | 0.76907 (15) | 0.0225 (5) | |
| H6BA | 0.2958 | 0.1584 | 0.7895 | 0.027* | |
| C7B | 0.21822 (11) | 0.16697 (12) | 0.97280 (13) | 0.0176 (5) | |
| C8B | 0.19090 (12) | 0.10265 (13) | 0.95663 (14) | 0.0212 (5) | |
| C9B | 0.17052 (13) | 0.07180 (14) | 1.01206 (16) | 0.0274 (6) | |
| H9BA | 0.1519 | 0.0299 | 1.0019 | 0.033* | |
| C10B | 0.17656 (13) | 0.10076 (15) | 1.08253 (16) | 0.0286 (6) | |
| H10B | 0.1630 | 0.0781 | 1.1187 | 0.034* | |
| C11B | 0.20303 (12) | 0.16365 (14) | 1.09782 (15) | 0.0243 (5) | |
| H11B | 0.2076 | 0.1837 | 1.1445 | 0.029* | |
| C12B | 0.22272 (11) | 0.19645 (13) | 1.04266 (14) | 0.0196 (5) | |
| H12B | 0.2394 | 0.2393 | 1.0525 | 0.023* | |
| C13B | 0.32775 (11) | 0.15592 (13) | 0.93696 (15) | 0.0206 (5) | |
| H13C | 0.3194 | 0.1196 | 0.9005 | 0.025* | |
| H13D | 0.3319 | 0.1362 | 0.9861 | 0.025* | |
| C14B | 0.42883 (11) | 0.13463 (13) | 0.87695 (14) | 0.0202 (5) | |
| C15B | 0.43712 (12) | 0.06521 (14) | 0.89234 (15) | 0.0250 (5) | |
| C16B | 0.45645 (15) | 0.02591 (15) | 0.84122 (17) | 0.0347 (7) | |
| H16B | 0.4628 | −0.0198 | 0.8509 | 0.042* | |
| C17B | 0.46658 (17) | 0.05181 (17) | 0.77716 (18) | 0.0422 (8) | |
| H17B | 0.4794 | 0.0238 | 0.7443 | 0.051* | |
| C18B | 0.45770 (15) | 0.11917 (16) | 0.76151 (16) | 0.0339 (7) | |
| H18B | 0.4637 | 0.1369 | 0.7176 | 0.041* | |
| C19B | 0.43979 (12) | 0.16037 (14) | 0.81156 (14) | 0.0242 (5) | |
| H19B | 0.4349 | 0.2062 | 0.8016 | 0.029* | |
| C20B | 0.45181 (11) | 0.17630 (12) | 1.03454 (13) | 0.0176 (5) | |
| C21B | 0.51592 (12) | 0.17446 (13) | 1.05094 (14) | 0.0200 (5) | |
| C22B | 0.55078 (13) | 0.16466 (13) | 1.12575 (15) | 0.0245 (6) | |
| H22B | 0.5933 | 0.1626 | 1.1367 | 0.029* | |
| C23B | 0.52438 (14) | 0.15791 (14) | 1.18371 (16) | 0.0293 (6) | |
| H23B | 0.5488 | 0.1512 | 1.2329 | 0.035* | |
| C24B | 0.46091 (15) | 0.16130 (15) | 1.16792 (15) | 0.0303 (6) | |
| H24B | 0.4425 | 0.1574 | 1.2066 | 0.036* | |
| C25B | 0.42512 (13) | 0.17053 (14) | 1.09421 (15) | 0.0242 (5) | |
| H25B | 0.3826 | 0.1729 | 1.0840 | 0.029* | |
| C26B | 0.11899 (12) | 0.23870 (15) | 0.82941 (15) | 0.0276 (6) | |
| H26D | 0.0837 | 0.2600 | 0.7960 | 0.041* | |
| H26E | 0.1423 | 0.2713 | 0.8642 | 0.041* | |
| H26F | 0.1059 | 0.2036 | 0.8569 | 0.041* | |
| C27B | 0.18306 (14) | 0.06476 (14) | 0.88355 (15) | 0.0279 (6) | |
| H27D | 0.1715 | 0.0192 | 0.8896 | 0.042* | |
| H27E | 0.2211 | 0.0652 | 0.8706 | 0.042* | |
| H27F | 0.1516 | 0.0859 | 0.8441 | 0.042* | |
| C28B | 0.42639 (13) | 0.03133 (14) | 0.96078 (16) | 0.0283 (6) | |
| H28D | 0.4298 | −0.0165 | 0.9563 | 0.042* | |
| H28E | 0.3861 | 0.0424 | 0.9640 | 0.042* | |
| H28F | 0.4565 | 0.0466 | 1.0055 | 0.042* | |
| C29B | 0.55012 (12) | 0.18341 (15) | 0.99213 (15) | 0.0257 (6) | |
| H29D | 0.5913 | 0.1980 | 1.0162 | 0.039* | |
| H29E | 0.5295 | 0.2165 | 0.9559 | 0.039* | |
| H29F | 0.5512 | 0.1414 | 0.9670 | 0.039* | |
| C30B | 0.24043 (12) | 0.34815 (13) | 0.83281 (15) | 0.0225 (5) | |
| C31B | 0.32887 (11) | 0.31609 (13) | 1.04120 (14) | 0.0200 (5) | |
| C32B | 0.21339 (12) | 0.35807 (14) | 0.96398 (14) | 0.0225 (5) | |
| C33B | 0.35150 (12) | 0.29737 (13) | 0.80760 (15) | 0.0207 (5) | |
| C34B | 0.44434 (11) | 0.32671 (12) | 1.01505 (14) | 0.0188 (5) | |
| C35B | 0.47147 (12) | 0.32800 (14) | 0.88280 (15) | 0.0229 (5) | |
| C36B | 0.33376 (15) | 0.43294 (14) | 0.81318 (17) | 0.0324 (7) | |
| C37B | 0.38139 (12) | 0.44392 (14) | 1.03222 (16) | 0.0247 (5) | |
| C38B | 0.28929 (13) | 0.50278 (14) | 0.91896 (16) | 0.0274 (6) | |
| C39B | 0.42278 (14) | 0.49617 (15) | 0.91889 (18) | 0.0324 (7) | |
| O11 | 0.1574 (5) | 0.9239 (5) | 0.2700 (6) | 0.048 (2)* | 0.25 |
| H11O | 0.1805 | 0.9126 | 0.3109 | 0.072* | 0.25 |
| C40 | 0.1575 (7) | 0.9966 (5) | 0.2638 (8) | 0.045 (3)* | 0.25 |
| H40A | 0.1651 | 1.0163 | 0.3130 | 0.067* | 0.25 |
| H40B | 0.1184 | 1.0115 | 0.2324 | 0.067* | 0.25 |
| H40C | 0.1892 | 1.0102 | 0.2418 | 0.067* | 0.25 |
| Ru1A | 0.01660 (9) | 0.01669 (9) | 0.01359 (9) | −0.00121 (7) | 0.00484 (7) | −0.00157 (7) |
| Ru2A | 0.01694 (9) | 0.01977 (10) | 0.01422 (9) | −0.00106 (7) | 0.00547 (7) | 0.00060 (7) |
| Ru3A | 0.02564 (11) | 0.01627 (10) | 0.02350 (11) | −0.00219 (8) | 0.00913 (9) | 0.00056 (8) |
| P1A | 0.0161 (3) | 0.0175 (3) | 0.0128 (3) | −0.0016 (2) | 0.0028 (2) | −0.0018 (2) |
| P2A | 0.0163 (3) | 0.0210 (3) | 0.0134 (3) | 0.0013 (2) | 0.0041 (2) | −0.0005 (2) |
| O1A | 0.0313 (11) | 0.0381 (12) | 0.0194 (10) | 0.0038 (9) | 0.0041 (8) | 0.0050 (9) |
| O2A | 0.0283 (11) | 0.0374 (12) | 0.0171 (9) | −0.0088 (9) | 0.0016 (8) | 0.0012 (8) |
| O3A | 0.0257 (11) | 0.0491 (14) | 0.0309 (11) | 0.0043 (9) | 0.0124 (9) | −0.0054 (10) |
| O4A | 0.0268 (10) | 0.0366 (12) | 0.0189 (10) | 0.0024 (8) | 0.0042 (8) | 0.0006 (8) |
| O5A | 0.0289 (10) | 0.0339 (11) | 0.0176 (9) | −0.0050 (8) | 0.0028 (8) | −0.0040 (8) |
| O6A | 0.0332 (12) | 0.0565 (16) | 0.0381 (13) | −0.0153 (10) | 0.0203 (10) | −0.0029 (11) |
| O7A | 0.0771 (19) | 0.0372 (13) | 0.0275 (12) | −0.0025 (12) | 0.0167 (12) | 0.0075 (10) |
| O8A | 0.0439 (13) | 0.0367 (13) | 0.0293 (12) | −0.0007 (10) | 0.0058 (10) | −0.0047 (9) |
| O9A | 0.0382 (13) | 0.0356 (13) | 0.0440 (13) | 0.0092 (10) | 0.0159 (11) | 0.0035 (10) |
| O10A | 0.0492 (16) | 0.0561 (18) | 0.082 (2) | −0.0274 (13) | 0.0199 (15) | 0.0083 (15) |
| C1A | 0.0186 (12) | 0.0211 (12) | 0.0144 (11) | −0.0026 (9) | 0.0022 (9) | 0.0028 (9) |
| C2A | 0.0245 (13) | 0.0222 (13) | 0.0217 (13) | −0.0034 (10) | 0.0001 (10) | 0.0021 (10) |
| C3A | 0.0337 (15) | 0.0223 (14) | 0.0295 (15) | −0.0058 (11) | 0.0064 (12) | 0.0046 (11) |
| C4A | 0.0279 (15) | 0.0358 (17) | 0.0261 (15) | −0.0070 (12) | 0.0054 (12) | 0.0109 (12) |
| C5A | 0.0242 (13) | 0.0372 (16) | 0.0163 (12) | −0.0062 (11) | 0.0049 (10) | 0.0019 (11) |
| C6A | 0.0193 (12) | 0.0236 (13) | 0.0164 (12) | −0.0054 (10) | 0.0026 (9) | −0.0013 (10) |
| C7A | 0.0212 (12) | 0.0167 (11) | 0.0146 (11) | −0.0014 (9) | 0.0042 (9) | −0.0023 (9) |
| C8A | 0.0196 (12) | 0.0216 (12) | 0.0184 (12) | 0.0006 (10) | 0.0019 (10) | −0.0014 (10) |
| C9A | 0.0223 (13) | 0.0299 (15) | 0.0225 (14) | 0.0002 (11) | −0.0039 (10) | −0.0004 (11) |
| C10A | 0.0398 (17) | 0.0275 (15) | 0.0157 (13) | −0.0007 (12) | −0.0049 (11) | −0.0009 (11) |
| C11A | 0.0411 (17) | 0.0258 (14) | 0.0163 (13) | −0.0008 (12) | 0.0085 (12) | −0.0017 (10) |
| C12A | 0.0301 (14) | 0.0233 (14) | 0.0170 (12) | −0.0017 (11) | 0.0074 (10) | −0.0014 (10) |
| C13A | 0.0177 (12) | 0.0192 (12) | 0.0225 (13) | 0.0003 (9) | 0.0014 (10) | −0.0020 (10) |
| C14A | 0.0191 (11) | 0.0204 (12) | 0.0144 (11) | 0.0028 (9) | 0.0028 (9) | 0.0001 (9) |
| C15A | 0.0211 (12) | 0.0255 (14) | 0.0189 (12) | 0.0032 (10) | 0.0038 (10) | 0.0022 (10) |
| C16A | 0.0248 (14) | 0.0318 (15) | 0.0202 (13) | 0.0042 (11) | −0.0002 (10) | −0.0010 (11) |
| C17A | 0.0393 (17) | 0.0338 (16) | 0.0166 (13) | 0.0105 (13) | 0.0040 (12) | 0.0036 (11) |
| C18A | 0.0392 (17) | 0.0330 (16) | 0.0238 (14) | 0.0058 (13) | 0.0163 (13) | 0.0064 (12) |
| C19A | 0.0238 (13) | 0.0266 (14) | 0.0202 (13) | 0.0022 (10) | 0.0075 (10) | 0.0032 (10) |
| C20A | 0.0205 (12) | 0.0319 (15) | 0.0190 (13) | 0.0038 (10) | 0.0055 (10) | −0.0075 (11) |
| C21A | 0.0435 (19) | 0.0370 (18) | 0.0323 (17) | 0.0137 (14) | 0.0145 (14) | −0.0036 (13) |
| C22A | 0.059 (2) | 0.046 (2) | 0.049 (2) | 0.0193 (18) | 0.0177 (19) | −0.0128 (17) |
| C23A | 0.0389 (19) | 0.063 (2) | 0.0369 (19) | 0.0066 (16) | 0.0172 (15) | −0.0217 (17) |
| C24A | 0.0305 (16) | 0.059 (2) | 0.0217 (15) | −0.0043 (14) | 0.0117 (12) | −0.0141 (14) |
| C25A | 0.0169 (12) | 0.0422 (17) | 0.0185 (13) | −0.0017 (11) | 0.0049 (10) | −0.0059 (11) |
| C26A | 0.0384 (17) | 0.0213 (14) | 0.0291 (15) | −0.0058 (12) | 0.0066 (13) | −0.0044 (11) |
| C27A | 0.0192 (13) | 0.0432 (18) | 0.0289 (15) | 0.0019 (12) | 0.0047 (11) | −0.0063 (13) |
| C28A | 0.0187 (13) | 0.0449 (18) | 0.0266 (15) | 0.0008 (12) | 0.0035 (11) | 0.0111 (13) |
| C29A | 0.123 (4) | 0.034 (2) | 0.048 (2) | 0.036 (2) | 0.032 (2) | 0.0086 (17) |
| C30A | 0.0247 (13) | 0.0215 (13) | 0.0209 (13) | 0.0000 (10) | 0.0093 (10) | −0.0010 (10) |
| C31A | 0.0203 (12) | 0.0208 (13) | 0.0245 (13) | −0.0056 (10) | 0.0083 (10) | −0.0038 (10) |
| C32A | 0.0261 (13) | 0.0257 (14) | 0.0163 (12) | 0.0010 (10) | 0.0069 (10) | −0.0020 (10) |
| C33A | 0.0186 (12) | 0.0238 (13) | 0.0231 (13) | 0.0005 (10) | 0.0072 (10) | 0.0030 (10) |
| C34A | 0.0229 (13) | 0.0213 (13) | 0.0229 (13) | −0.0040 (10) | 0.0084 (10) | −0.0003 (10) |
| C35A | 0.0272 (14) | 0.0311 (15) | 0.0172 (13) | −0.0017 (11) | 0.0042 (11) | −0.0001 (11) |
| C36A | 0.0451 (18) | 0.0233 (15) | 0.0306 (16) | −0.0041 (13) | 0.0139 (14) | 0.0027 (12) |
| C37A | 0.0267 (14) | 0.0233 (14) | 0.0300 (15) | −0.0001 (11) | 0.0074 (12) | −0.0021 (11) |
| C38A | 0.0369 (16) | 0.0233 (14) | 0.0245 (14) | −0.0017 (12) | 0.0112 (12) | 0.0000 (11) |
| C39A | 0.0377 (18) | 0.0317 (17) | 0.0440 (19) | −0.0095 (13) | 0.0120 (15) | 0.0040 (14) |
| Ru1B | 0.01691 (9) | 0.01596 (9) | 0.01461 (9) | −0.00020 (7) | 0.00479 (7) | −0.00098 (7) |
| Ru2B | 0.01516 (9) | 0.01599 (9) | 0.01511 (9) | 0.00012 (7) | 0.00360 (7) | 0.00120 (7) |
| Ru3B | 0.02252 (10) | 0.01495 (10) | 0.02291 (10) | −0.00039 (8) | 0.00702 (8) | 0.00141 (8) |
| P1B | 0.0145 (3) | 0.0167 (3) | 0.0140 (3) | −0.0004 (2) | 0.0035 (2) | −0.0006 (2) |
| P2B | 0.0142 (3) | 0.0167 (3) | 0.0160 (3) | 0.0008 (2) | 0.0029 (2) | 0.0012 (2) |
| O1B | 0.0390 (12) | 0.0398 (13) | 0.0188 (10) | 0.0066 (10) | 0.0046 (9) | 0.0031 (9) |
| O2B | 0.0253 (10) | 0.0347 (11) | 0.0209 (10) | −0.0059 (8) | 0.0034 (8) | 0.0001 (8) |
| O3B | 0.0278 (11) | 0.0435 (13) | 0.0329 (11) | 0.0073 (9) | 0.0118 (9) | −0.0070 (10) |
| O4B | 0.0276 (10) | 0.0290 (11) | 0.0191 (9) | 0.0013 (8) | 0.0028 (8) | −0.0003 (8) |
| O5B | 0.0245 (10) | 0.0255 (10) | 0.0221 (10) | 0.0000 (8) | 0.0001 (8) | −0.0010 (8) |
| O6B | 0.0268 (11) | 0.0484 (14) | 0.0329 (12) | −0.0059 (9) | 0.0148 (9) | 0.0011 (10) |
| O7B | 0.088 (2) | 0.0315 (13) | 0.0271 (12) | −0.0007 (12) | 0.0163 (12) | 0.0076 (10) |
| O8B | 0.0356 (12) | 0.0347 (12) | 0.0275 (11) | 0.0008 (9) | 0.0058 (9) | −0.0039 (9) |
| O9B | 0.0365 (13) | 0.0320 (12) | 0.0586 (15) | 0.0115 (10) | 0.0156 (11) | 0.0031 (11) |
| O10B | 0.0368 (14) | 0.0525 (16) | 0.0769 (19) | −0.0138 (12) | 0.0176 (13) | 0.0188 (14) |
| C1B | 0.0213 (12) | 0.0166 (11) | 0.0154 (11) | −0.0029 (9) | 0.0049 (9) | −0.0011 (9) |
| C2B | 0.0185 (12) | 0.0221 (13) | 0.0193 (12) | −0.0027 (9) | 0.0036 (10) | 0.0010 (10) |
| C3B | 0.0230 (13) | 0.0291 (14) | 0.0189 (13) | −0.0050 (11) | −0.0001 (10) | 0.0030 (11) |
| C4B | 0.0442 (18) | 0.0309 (16) | 0.0175 (13) | −0.0134 (13) | 0.0069 (12) | −0.0043 (11) |
| C5B | 0.0384 (16) | 0.0294 (15) | 0.0216 (14) | −0.0102 (12) | 0.0156 (12) | −0.0082 (11) |
| C6B | 0.0242 (13) | 0.0217 (13) | 0.0240 (13) | −0.0030 (10) | 0.0106 (11) | −0.0037 (10) |
| C7B | 0.0173 (11) | 0.0194 (12) | 0.0155 (11) | 0.0005 (9) | 0.0037 (9) | 0.0024 (9) |
| C8B | 0.0216 (12) | 0.0197 (12) | 0.0216 (13) | 0.0008 (10) | 0.0050 (10) | 0.0011 (10) |
| C9B | 0.0322 (15) | 0.0224 (14) | 0.0304 (15) | −0.0030 (11) | 0.0134 (12) | 0.0021 (11) |
| C10B | 0.0335 (15) | 0.0291 (15) | 0.0263 (14) | 0.0029 (12) | 0.0135 (12) | 0.0097 (12) |
| C11B | 0.0230 (13) | 0.0313 (15) | 0.0185 (13) | 0.0029 (11) | 0.0061 (10) | 0.0020 (11) |
| C12B | 0.0169 (11) | 0.0226 (12) | 0.0184 (12) | −0.0005 (9) | 0.0038 (9) | 0.0011 (10) |
| C13B | 0.0163 (11) | 0.0178 (12) | 0.0252 (13) | 0.0005 (9) | 0.0020 (10) | 0.0033 (10) |
| C14B | 0.0188 (12) | 0.0202 (12) | 0.0187 (12) | 0.0015 (9) | 0.0008 (9) | −0.0024 (10) |
| C15B | 0.0251 (13) | 0.0210 (13) | 0.0259 (14) | 0.0026 (10) | 0.0024 (11) | −0.0018 (11) |
| C16B | 0.0465 (19) | 0.0236 (15) | 0.0312 (16) | 0.0081 (13) | 0.0067 (14) | −0.0057 (12) |
| C17B | 0.059 (2) | 0.0371 (19) | 0.0301 (17) | 0.0154 (16) | 0.0111 (15) | −0.0125 (14) |
| C18B | 0.0442 (18) | 0.0375 (18) | 0.0184 (14) | 0.0064 (14) | 0.0066 (13) | −0.0039 (12) |
| C19B | 0.0256 (14) | 0.0267 (14) | 0.0194 (13) | 0.0032 (11) | 0.0051 (10) | −0.0010 (10) |
| C20B | 0.0200 (12) | 0.0163 (11) | 0.0161 (11) | 0.0011 (9) | 0.0046 (9) | 0.0014 (9) |
| C21B | 0.0211 (12) | 0.0178 (12) | 0.0196 (12) | 0.0010 (9) | 0.0035 (10) | 0.0010 (10) |
| C22B | 0.0229 (13) | 0.0224 (13) | 0.0227 (13) | 0.0021 (10) | −0.0024 (10) | −0.0002 (10) |
| C23B | 0.0380 (17) | 0.0267 (15) | 0.0188 (13) | 0.0042 (12) | 0.0007 (12) | 0.0003 (11) |
| C24B | 0.0443 (18) | 0.0322 (16) | 0.0167 (13) | 0.0041 (13) | 0.0127 (12) | 0.0018 (11) |
| C25B | 0.0256 (13) | 0.0245 (14) | 0.0237 (13) | 0.0035 (10) | 0.0088 (11) | 0.0018 (11) |
| C26B | 0.0192 (13) | 0.0375 (16) | 0.0233 (14) | 0.0043 (11) | 0.0017 (11) | −0.0020 (12) |
| C27B | 0.0394 (16) | 0.0201 (13) | 0.0252 (14) | −0.0091 (11) | 0.0105 (12) | −0.0038 (11) |
| C28B | 0.0269 (14) | 0.0195 (13) | 0.0397 (17) | 0.0025 (11) | 0.0115 (12) | 0.0036 (12) |
| C29B | 0.0170 (12) | 0.0331 (16) | 0.0260 (14) | 0.0019 (11) | 0.0043 (10) | 0.0028 (11) |
| C30B | 0.0267 (13) | 0.0199 (13) | 0.0229 (13) | 0.0008 (10) | 0.0104 (11) | −0.0024 (10) |
| C31B | 0.0194 (12) | 0.0192 (12) | 0.0217 (13) | −0.0048 (9) | 0.0063 (10) | −0.0029 (10) |
| C32B | 0.0245 (13) | 0.0252 (14) | 0.0177 (12) | −0.0019 (10) | 0.0058 (10) | −0.0035 (10) |
| C33B | 0.0196 (12) | 0.0193 (12) | 0.0233 (13) | 0.0015 (9) | 0.0060 (10) | 0.0038 (10) |
| C34B | 0.0175 (11) | 0.0167 (12) | 0.0220 (13) | −0.0012 (9) | 0.0056 (10) | 0.0002 (10) |
| C35B | 0.0213 (12) | 0.0255 (13) | 0.0199 (13) | −0.0013 (10) | 0.0027 (10) | 0.0012 (10) |
| C36B | 0.0477 (19) | 0.0186 (14) | 0.0315 (16) | −0.0011 (12) | 0.0124 (14) | 0.0040 (12) |
| C37B | 0.0250 (13) | 0.0214 (13) | 0.0284 (14) | 0.0014 (10) | 0.0089 (11) | 0.0001 (11) |
| C38B | 0.0308 (15) | 0.0212 (14) | 0.0303 (15) | −0.0018 (11) | 0.0090 (12) | 0.0010 (11) |
| C39B | 0.0264 (15) | 0.0307 (16) | 0.0398 (17) | −0.0023 (12) | 0.0090 (13) | 0.0072 (13) |
| Ru1A—C32A | 1.902 (3) | Ru1B—P1B | 2.3450 (7) |
| Ru1A—C30A | 1.933 (3) | Ru1B—Ru2B | 2.8429 (3) |
| Ru1A—C31A | 1.934 (3) | Ru1B—Ru3B | 2.8554 (3) |
| Ru1A—P1A | 2.3451 (7) | Ru2B—C35B | 1.895 (3) |
| Ru1A—Ru2A | 2.8350 (3) | Ru2B—C34B | 1.931 (3) |
| Ru1A—Ru3A | 2.8420 (3) | Ru2B—C33B | 1.931 (3) |
| Ru2A—C35A | 1.892 (3) | Ru2B—P2B | 2.3459 (7) |
| Ru2A—C33A | 1.927 (3) | Ru2B—Ru3B | 2.8442 (3) |
| Ru2A—C34A | 1.935 (3) | Ru3B—C38B | 1.909 (3) |
| Ru2A—P2A | 2.3422 (7) | Ru3B—C39B | 1.923 (3) |
| Ru2A—Ru3A | 2.8280 (3) | Ru3B—C36B | 1.941 (3) |
| Ru3A—C38A | 1.906 (3) | Ru3B—C37B | 1.953 (3) |
| Ru3A—C39A | 1.918 (3) | P1B—C1B | 1.831 (2) |
| Ru3A—C36A | 1.940 (3) | P1B—C13B | 1.850 (2) |
| Ru3A—C37A | 1.954 (3) | P1B—C7B | 1.855 (2) |
| P1A—C7A | 1.842 (2) | P2B—C14B | 1.840 (3) |
| P1A—C1A | 1.843 (2) | P2B—C20B | 1.842 (2) |
| P1A—C13A | 1.869 (3) | P2B—C13B | 1.865 (3) |
| P2A—C14A | 1.832 (2) | O1B—C30B | 1.141 (3) |
| P2A—C13A | 1.843 (3) | O2B—C31B | 1.144 (3) |
| P2A—C20A | 1.846 (3) | O3B—C32B | 1.146 (3) |
| O1A—C30A | 1.141 (3) | O4B—C33B | 1.146 (3) |
| O2A—C31A | 1.145 (3) | O5B—C34B | 1.142 (3) |
| O3A—C32A | 1.139 (3) | O6B—C35B | 1.150 (3) |
| O4A—C33A | 1.146 (3) | O7B—C36B | 1.132 (3) |
| O5A—C34A | 1.143 (3) | O8B—C37B | 1.131 (3) |
| O6A—C35A | 1.155 (3) | O9B—C38B | 1.145 (3) |
| O7A—C36A | 1.134 (3) | O10B—C39B | 1.123 (3) |
| O8A—C37A | 1.131 (3) | C1B—C6B | 1.398 (3) |
| O9A—C38A | 1.147 (3) | C1B—C2B | 1.404 (3) |
| O10A—C39A | 1.131 (4) | C2B—C3B | 1.400 (4) |
| C1A—C6A | 1.397 (3) | C2B—C26B | 1.507 (4) |
| C1A—C2A | 1.410 (4) | C3B—C4B | 1.381 (4) |
| C2A—C3A | 1.395 (4) | C3B—H3BA | 0.9300 |
| C2A—C26A | 1.513 (4) | C4B—C5B | 1.384 (4) |
| C3A—C4A | 1.381 (4) | C4B—H4BA | 0.9300 |
| C3A—H3AA | 0.9300 | C5B—C6B | 1.387 (4) |
| C4A—C5A | 1.374 (4) | C5B—H5BA | 0.9300 |
| C4A—H4AA | 0.9300 | C6B—H6BA | 0.9300 |
| C5A—C6A | 1.386 (3) | C7B—C12B | 1.396 (3) |
| C5A—H5AA | 0.9300 | C7B—C8B | 1.417 (3) |
| C6A—H6AA | 0.9300 | C8B—C9B | 1.383 (4) |
| C7A—C12A | 1.401 (3) | C8B—C27B | 1.513 (4) |
| C7A—C8A | 1.406 (3) | C9B—C10B | 1.396 (4) |
| C8A—C9A | 1.394 (3) | C9B—H9BA | 0.9300 |
| C8A—C27A | 1.510 (4) | C10B—C11B | 1.382 (4) |
| C9A—C10A | 1.373 (4) | C10B—H10B | 0.9300 |
| C9A—H9AA | 0.9300 | C11B—C12B | 1.388 (3) |
| C10A—C11A | 1.394 (4) | C11B—H11B | 0.9300 |
| C10A—H10A | 0.9300 | C12B—H12B | 0.9300 |
| C11A—C12A | 1.389 (4) | C13B—H13C | 0.9700 |
| C11A—H11A | 0.9300 | C13B—H13D | 0.9700 |
| C12A—H12A | 0.9300 | C14B—C19B | 1.400 (4) |
| C13A—H13A | 0.9700 | C14B—C15B | 1.412 (4) |
| C13A—H13B | 0.9700 | C15B—C16B | 1.391 (4) |
| C14A—C19A | 1.399 (3) | C15B—C28B | 1.514 (4) |
| C14A—C15A | 1.407 (3) | C16B—C17B | 1.370 (4) |
| C15A—C16A | 1.395 (4) | C16B—H16B | 0.9300 |
| C15A—C28A | 1.507 (4) | C17B—C18B | 1.374 (4) |
| C16A—C17A | 1.372 (4) | C17B—H17B | 0.9300 |
| C16A—H16A | 0.9300 | C18B—C19B | 1.382 (4) |
| C17A—C18A | 1.390 (4) | C18B—H18B | 0.9300 |
| C17A—H17A | 0.9300 | C19B—H19B | 0.9300 |
| C18A—C19A | 1.389 (4) | C20B—C21B | 1.401 (3) |
| C18A—H18A | 0.9300 | C20B—C25B | 1.407 (3) |
| C19A—H19A | 0.9300 | C21B—C22B | 1.398 (3) |
| C20A—C25A | 1.394 (4) | C21B—C29B | 1.517 (4) |
| C20A—C21A | 1.404 (4) | C22B—C23B | 1.376 (4) |
| C21A—C22A | 1.394 (4) | C22B—H22B | 0.9300 |
| C21A—C29A | 1.513 (5) | C23B—C24B | 1.389 (4) |
| C22A—C23A | 1.391 (5) | C23B—H23B | 0.9300 |
| C22A—H22A | 0.9300 | C24B—C25B | 1.386 (4) |
| C23A—C24A | 1.368 (5) | C24B—H24B | 0.9300 |
| C23A—H23A | 0.9300 | C25B—H25B | 0.9300 |
| C24A—C25A | 1.395 (4) | C26B—H26D | 0.9600 |
| C24A—H24A | 0.9300 | C26B—H26E | 0.9600 |
| C25A—H25A | 0.9300 | C26B—H26F | 0.9600 |
| C26A—H26A | 0.9600 | C27B—H27D | 0.9600 |
| C26A—H26B | 0.9600 | C27B—H27E | 0.9600 |
| C26A—H26C | 0.9600 | C27B—H27F | 0.9600 |
| C27A—H27A | 0.9600 | C28B—H28D | 0.9600 |
| C27A—H27B | 0.9600 | C28B—H28E | 0.9600 |
| C27A—H27C | 0.9600 | C28B—H28F | 0.9600 |
| C28A—H28A | 0.9600 | C29B—H29D | 0.9600 |
| C28A—H28B | 0.9600 | C29B—H29E | 0.9600 |
| C28A—H28C | 0.9600 | C29B—H29F | 0.9600 |
| C29A—H29A | 0.9600 | O11—C40 | 1.452 (9) |
| C29A—H29B | 0.9600 | O11—H11O | 0.8200 |
| C29A—H29C | 0.9600 | C40—H40A | 0.9600 |
| Ru1B—C32B | 1.894 (3) | C40—H40B | 0.9600 |
| Ru1B—C30B | 1.931 (3) | C40—H40C | 0.9600 |
| Ru1B—C31B | 1.936 (3) | ||
| C32A—Ru1A—C30A | 88.63 (11) | C30B—Ru1B—P1B | 91.44 (8) |
| C32A—Ru1A—C31A | 91.96 (11) | C31B—Ru1B—P1B | 95.74 (8) |
| C30A—Ru1A—C31A | 173.81 (11) | C32B—Ru1B—Ru2B | 165.78 (8) |
| C32A—Ru1A—P1A | 103.18 (8) | C30B—Ru1B—Ru2B | 95.00 (8) |
| C30A—Ru1A—P1A | 91.17 (8) | C31B—Ru1B—Ru2B | 83.35 (7) |
| C31A—Ru1A—P1A | 94.69 (8) | P1B—Ru1B—Ru2B | 91.367 (17) |
| C32A—Ru1A—Ru2A | 162.77 (8) | C32B—Ru1B—Ru3B | 107.27 (8) |
| C30A—Ru1A—Ru2A | 96.43 (8) | C30B—Ru1B—Ru3B | 82.15 (8) |
| C31A—Ru1A—Ru2A | 81.29 (7) | C31B—Ru1B—Ru3B | 90.87 (7) |
| P1A—Ru1A—Ru2A | 93.205 (17) | P1B—Ru1B—Ru3B | 149.568 (17) |
| C32A—Ru1A—Ru3A | 104.63 (8) | Ru2B—Ru1B—Ru3B | 59.886 (7) |
| C30A—Ru1A—Ru3A | 84.31 (8) | C35B—Ru2B—C34B | 89.26 (11) |
| C31A—Ru1A—Ru3A | 89.57 (7) | C35B—Ru2B—C33B | 91.97 (11) |
| P1A—Ru1A—Ru3A | 151.682 (18) | C34B—Ru2B—C33B | 175.99 (11) |
| Ru2A—Ru1A—Ru3A | 59.755 (7) | C35B—Ru2B—P2B | 105.74 (8) |
| C35A—Ru2A—C33A | 92.38 (11) | C34B—Ru2B—P2B | 89.41 (7) |
| C35A—Ru2A—C34A | 89.15 (11) | C33B—Ru2B—P2B | 93.92 (8) |
| C33A—Ru2A—C34A | 176.84 (11) | C35B—Ru2B—Ru1B | 160.45 (8) |
| C35A—Ru2A—P2A | 106.36 (9) | C34B—Ru2B—Ru1B | 93.99 (7) |
| C33A—Ru2A—P2A | 91.90 (8) | C33B—Ru2B—Ru1B | 83.58 (7) |
| C34A—Ru2A—P2A | 90.32 (8) | P2B—Ru2B—Ru1B | 93.579 (17) |
| C35A—Ru2A—Ru3A | 101.80 (9) | C35B—Ru2B—Ru3B | 101.25 (8) |
| C33A—Ru2A—Ru3A | 93.94 (8) | C34B—Ru2B—Ru3B | 82.08 (7) |
| C34A—Ru2A—Ru3A | 83.04 (8) | C33B—Ru2B—Ru3B | 93.94 (8) |
| P2A—Ru2A—Ru3A | 150.948 (18) | P2B—Ru2B—Ru3B | 151.558 (18) |
| C35A—Ru2A—Ru1A | 160.20 (9) | Ru1B—Ru2B—Ru3B | 60.275 (7) |
| C33A—Ru2A—Ru1A | 81.39 (7) | C38B—Ru3B—C39B | 104.77 (13) |
| C34A—Ru2A—Ru1A | 96.26 (8) | C38B—Ru3B—C36B | 93.83 (13) |
| P2A—Ru2A—Ru1A | 92.682 (17) | C39B—Ru3B—C36B | 88.26 (13) |
| Ru3A—Ru2A—Ru1A | 60.246 (7) | C38B—Ru3B—C37B | 91.40 (12) |
| C38A—Ru3A—C39A | 106.69 (14) | C39B—Ru3B—C37B | 89.77 (12) |
| C38A—Ru3A—C36A | 92.55 (13) | C36B—Ru3B—C37B | 174.73 (12) |
| C39A—Ru3A—C36A | 89.22 (14) | C38B—Ru3B—Ru2B | 152.18 (9) |
| C38A—Ru3A—C37A | 92.02 (12) | C39B—Ru3B—Ru2B | 102.29 (9) |
| C39A—Ru3A—C37A | 88.92 (13) | C36B—Ru3B—Ru2B | 80.57 (9) |
| C36A—Ru3A—C37A | 175.40 (13) | C37B—Ru3B—Ru2B | 95.08 (8) |
| C38A—Ru3A—Ru2A | 151.28 (9) | C38B—Ru3B—Ru1B | 93.62 (8) |
| C39A—Ru3A—Ru2A | 101.28 (10) | C39B—Ru3B—Ru1B | 161.40 (9) |
| C36A—Ru3A—Ru2A | 81.29 (9) | C36B—Ru3B—Ru1B | 93.28 (9) |
| C37A—Ru3A—Ru2A | 94.94 (8) | C37B—Ru3B—Ru1B | 87.04 (8) |
| C38A—Ru3A—Ru1A | 92.61 (9) | Ru2B—Ru3B—Ru1B | 59.839 (8) |
| C39A—Ru3A—Ru1A | 160.47 (10) | C1B—P1B—C13B | 104.00 (12) |
| C36A—Ru3A—Ru1A | 92.96 (9) | C1B—P1B—C7B | 107.70 (11) |
| C37A—Ru3A—Ru1A | 87.40 (8) | C13B—P1B—C7B | 96.33 (11) |
| Ru2A—Ru3A—Ru1A | 59.999 (8) | C1B—P1B—Ru1B | 112.59 (8) |
| C7A—P1A—C1A | 106.67 (11) | C13B—P1B—Ru1B | 114.74 (8) |
| C7A—P1A—C13A | 102.74 (11) | C7B—P1B—Ru1B | 119.41 (8) |
| C1A—P1A—C13A | 99.85 (12) | C14B—P2B—C20B | 105.50 (11) |
| C7A—P1A—Ru1A | 112.52 (8) | C14B—P2B—C13B | 100.68 (12) |
| C1A—P1A—Ru1A | 118.21 (8) | C20B—P2B—C13B | 103.39 (11) |
| C13A—P1A—Ru1A | 115.05 (8) | C14B—P2B—Ru2B | 119.59 (9) |
| C14A—P2A—C13A | 104.04 (12) | C20B—P2B—Ru2B | 111.42 (8) |
| C14A—P2A—C20A | 107.04 (12) | C13B—P2B—Ru2B | 114.50 (8) |
| C13A—P2A—C20A | 99.22 (12) | C6B—C1B—C2B | 119.4 (2) |
| C14A—P2A—Ru2A | 113.14 (8) | C6B—C1B—P1B | 119.59 (19) |
| C13A—P2A—Ru2A | 114.00 (8) | C2B—C1B—P1B | 120.94 (19) |
| C20A—P2A—Ru2A | 117.72 (10) | C3B—C2B—C1B | 118.2 (2) |
| C6A—C1A—C2A | 119.0 (2) | C3B—C2B—C26B | 118.7 (2) |
| C6A—C1A—P1A | 117.20 (19) | C1B—C2B—C26B | 123.1 (2) |
| C2A—C1A—P1A | 123.71 (19) | C4B—C3B—C2B | 121.9 (3) |
| C3A—C2A—C1A | 117.7 (3) | C4B—C3B—H3BA | 119.1 |
| C3A—C2A—C26A | 117.7 (2) | C2B—C3B—H3BA | 119.1 |
| C1A—C2A—C26A | 124.6 (2) | C3B—C4B—C5B | 119.9 (3) |
| C4A—C3A—C2A | 122.4 (3) | C3B—C4B—H4BA | 120.1 |
| C4A—C3A—H3AA | 118.8 | C5B—C4B—H4BA | 120.1 |
| C2A—C3A—H3AA | 118.8 | C4B—C5B—C6B | 119.3 (3) |
| C5A—C4A—C3A | 120.0 (3) | C4B—C5B—H5BA | 120.3 |
| C5A—C4A—H4AA | 120.0 | C6B—C5B—H5BA | 120.3 |
| C3A—C4A—H4AA | 120.0 | C5B—C6B—C1B | 121.4 (3) |
| C4A—C5A—C6A | 118.9 (3) | C5B—C6B—H6BA | 119.3 |
| C4A—C5A—H5AA | 120.6 | C1B—C6B—H6BA | 119.3 |
| C6A—C5A—H5AA | 120.6 | C12B—C7B—C8B | 119.2 (2) |
| C5A—C6A—C1A | 122.1 (2) | C12B—C7B—P1B | 114.88 (18) |
| C5A—C6A—H6AA | 119.0 | C8B—C7B—P1B | 125.31 (19) |
| C1A—C6A—H6AA | 119.0 | C9B—C8B—C7B | 117.6 (2) |
| C12A—C7A—C8A | 119.1 (2) | C9B—C8B—C27B | 117.5 (2) |
| C12A—C7A—P1A | 119.11 (19) | C7B—C8B—C27B | 124.9 (2) |
| C8A—C7A—P1A | 121.65 (18) | C8B—C9B—C10B | 123.0 (3) |
| C9A—C8A—C7A | 118.0 (2) | C8B—C9B—H9BA | 118.5 |
| C9A—C8A—C27A | 118.3 (2) | C10B—C9B—H9BA | 118.5 |
| C7A—C8A—C27A | 123.7 (2) | C11B—C10B—C9B | 119.1 (3) |
| C10A—C9A—C8A | 122.8 (3) | C11B—C10B—H10B | 120.5 |
| C10A—C9A—H9AA | 118.6 | C9B—C10B—H10B | 120.5 |
| C8A—C9A—H9AA | 118.6 | C10B—C11B—C12B | 119.2 (3) |
| C9A—C10A—C11A | 119.4 (2) | C10B—C11B—H11B | 120.4 |
| C9A—C10A—H10A | 120.3 | C12B—C11B—H11B | 120.4 |
| C11A—C10A—H10A | 120.3 | C11B—C12B—C7B | 121.9 (2) |
| C12A—C11A—C10A | 119.1 (3) | C11B—C12B—H12B | 119.0 |
| C12A—C11A—H11A | 120.5 | C7B—C12B—H12B | 119.0 |
| C10A—C11A—H11A | 120.5 | P1B—C13B—P2B | 117.59 (14) |
| C11A—C12A—C7A | 121.6 (3) | P1B—C13B—H13C | 107.9 |
| C11A—C12A—H12A | 119.2 | P2B—C13B—H13C | 107.9 |
| C7A—C12A—H12A | 119.2 | P1B—C13B—H13D | 107.9 |
| P2A—C13A—P1A | 118.00 (14) | P2B—C13B—H13D | 107.9 |
| P2A—C13A—H13A | 107.8 | H13C—C13B—H13D | 107.2 |
| P1A—C13A—H13A | 107.8 | C19B—C14B—C15B | 119.1 (2) |
| P2A—C13A—H13B | 107.8 | C19B—C14B—P2B | 117.6 (2) |
| P1A—C13A—H13B | 107.8 | C15B—C14B—P2B | 123.3 (2) |
| H13A—C13A—H13B | 107.1 | C16B—C15B—C14B | 117.6 (3) |
| C19A—C14A—C15A | 119.4 (2) | C16B—C15B—C28B | 118.4 (3) |
| C19A—C14A—P2A | 119.82 (19) | C14B—C15B—C28B | 124.1 (2) |
| C15A—C14A—P2A | 120.64 (19) | C17B—C16B—C15B | 122.6 (3) |
| C16A—C15A—C14A | 118.1 (2) | C17B—C16B—H16B | 118.7 |
| C16A—C15A—C28A | 118.8 (2) | C15B—C16B—H16B | 118.7 |
| C14A—C15A—C28A | 123.0 (2) | C16B—C17B—C18B | 119.9 (3) |
| C17A—C16A—C15A | 122.2 (3) | C16B—C17B—H17B | 120.1 |
| C17A—C16A—H16A | 118.9 | C18B—C17B—H17B | 120.1 |
| C15A—C16A—H16A | 118.9 | C17B—C18B—C19B | 119.4 (3) |
| C16A—C17A—C18A | 119.8 (3) | C17B—C18B—H18B | 120.3 |
| C16A—C17A—H17A | 120.1 | C19B—C18B—H18B | 120.3 |
| C18A—C17A—H17A | 120.1 | C18B—C19B—C14B | 121.4 (3) |
| C19A—C18A—C17A | 119.4 (3) | C18B—C19B—H19B | 119.3 |
| C19A—C18A—H18A | 120.3 | C14B—C19B—H19B | 119.3 |
| C17A—C18A—H18A | 120.3 | C21B—C20B—C25B | 118.8 (2) |
| C18A—C19A—C14A | 121.0 (3) | C21B—C20B—P2B | 120.95 (18) |
| C18A—C19A—H19A | 119.5 | C25B—C20B—P2B | 120.01 (19) |
| C14A—C19A—H19A | 119.5 | C22B—C21B—C20B | 118.6 (2) |
| C25A—C20A—C21A | 118.7 (3) | C22B—C21B—C29B | 117.7 (2) |
| C25A—C20A—P2A | 115.9 (2) | C20B—C21B—C29B | 123.7 (2) |
| C21A—C20A—P2A | 125.3 (2) | C23B—C22B—C21B | 122.3 (3) |
| C22A—C21A—C20A | 118.3 (3) | C23B—C22B—H22B | 118.8 |
| C22A—C21A—C29A | 118.0 (3) | C21B—C22B—H22B | 118.8 |
| C20A—C21A—C29A | 123.7 (3) | C22B—C23B—C24B | 119.2 (3) |
| C23A—C22A—C21A | 122.1 (3) | C22B—C23B—H23B | 120.4 |
| C23A—C22A—H22A | 118.9 | C24B—C23B—H23B | 120.4 |
| C21A—C22A—H22A | 118.9 | C25B—C24B—C23B | 119.7 (3) |
| C24A—C23A—C22A | 119.7 (3) | C25B—C24B—H24B | 120.1 |
| C24A—C23A—H23A | 120.2 | C23B—C24B—H24B | 120.1 |
| C22A—C23A—H23A | 120.2 | C24B—C25B—C20B | 121.3 (3) |
| C23A—C24A—C25A | 119.1 (3) | C24B—C25B—H25B | 119.4 |
| C23A—C24A—H24A | 120.5 | C20B—C25B—H25B | 119.4 |
| C25A—C24A—H24A | 120.5 | C2B—C26B—H26D | 109.5 |
| C20A—C25A—C24A | 122.1 (3) | C2B—C26B—H26E | 109.5 |
| C20A—C25A—H25A | 118.9 | H26D—C26B—H26E | 109.5 |
| C24A—C25A—H25A | 118.9 | C2B—C26B—H26F | 109.5 |
| C2A—C26A—H26A | 109.5 | H26D—C26B—H26F | 109.5 |
| C2A—C26A—H26B | 109.5 | H26E—C26B—H26F | 109.5 |
| H26A—C26A—H26B | 109.5 | C8B—C27B—H27D | 109.5 |
| C2A—C26A—H26C | 109.5 | C8B—C27B—H27E | 109.5 |
| H26A—C26A—H26C | 109.5 | H27D—C27B—H27E | 109.5 |
| H26B—C26A—H26C | 109.5 | C8B—C27B—H27F | 109.5 |
| C8A—C27A—H27A | 109.5 | H27D—C27B—H27F | 109.5 |
| C8A—C27A—H27B | 109.5 | H27E—C27B—H27F | 109.5 |
| H27A—C27A—H27B | 109.5 | C15B—C28B—H28D | 109.5 |
| C8A—C27A—H27C | 109.5 | C15B—C28B—H28E | 109.5 |
| H27A—C27A—H27C | 109.5 | H28D—C28B—H28E | 109.5 |
| H27B—C27A—H27C | 109.5 | C15B—C28B—H28F | 109.5 |
| C15A—C28A—H28A | 109.5 | H28D—C28B—H28F | 109.5 |
| C15A—C28A—H28B | 109.5 | H28E—C28B—H28F | 109.5 |
| H28A—C28A—H28B | 109.5 | C21B—C29B—H29D | 109.5 |
| C15A—C28A—H28C | 109.5 | C21B—C29B—H29E | 109.5 |
| H28A—C28A—H28C | 109.5 | H29D—C29B—H29E | 109.5 |
| H28B—C28A—H28C | 109.5 | C21B—C29B—H29F | 109.5 |
| C21A—C29A—H29A | 109.5 | H29D—C29B—H29F | 109.5 |
| C21A—C29A—H29B | 109.5 | H29E—C29B—H29F | 109.5 |
| H29A—C29A—H29B | 109.5 | O1B—C30B—Ru1B | 172.9 (2) |
| C21A—C29A—H29C | 109.5 | O2B—C31B—Ru1B | 173.6 (2) |
| H29A—C29A—H29C | 109.5 | O3B—C32B—Ru1B | 178.7 (2) |
| H29B—C29A—H29C | 109.5 | O4B—C33B—Ru2B | 173.8 (2) |
| O1A—C30A—Ru1A | 173.6 (2) | O5B—C34B—Ru2B | 173.5 (2) |
| O2A—C31A—Ru1A | 173.0 (2) | O6B—C35B—Ru2B | 178.1 (3) |
| O3A—C32A—Ru1A | 179.4 (3) | O7B—C36B—Ru3B | 171.9 (3) |
| O4A—C33A—Ru2A | 173.2 (2) | O8B—C37B—Ru3B | 172.4 (2) |
| O5A—C34A—Ru2A | 172.5 (2) | O9B—C38B—Ru3B | 178.4 (3) |
| O6A—C35A—Ru2A | 178.7 (3) | O10B—C39B—Ru3B | 178.6 (3) |
| O7A—C36A—Ru3A | 172.2 (3) | C40—O11—H11O | 109.5 |
| O8A—C37A—Ru3A | 172.4 (3) | O11—C40—H40A | 109.5 |
| O9A—C38A—Ru3A | 178.2 (3) | O11—C40—H40B | 109.5 |
| O10A—C39A—Ru3A | 179.1 (3) | H40A—C40—H40B | 109.5 |
| C32B—Ru1B—C30B | 88.74 (11) | O11—C40—H40C | 109.5 |
| C32B—Ru1B—C31B | 91.19 (11) | H40A—C40—H40C | 109.5 |
| C30B—Ru1B—C31B | 172.66 (11) | H40B—C40—H40C | 109.5 |
| C32B—Ru1B—P1B | 102.27 (8) | ||
| C32A—Ru1A—Ru2A—C35A | 53.6 (4) | C32B—Ru1B—Ru2B—C35B | −47.5 (4) |
| C30A—Ru1A—Ru2A—C35A | −52.7 (3) | C30B—Ru1B—Ru2B—C35B | 57.3 (3) |
| C31A—Ru1A—Ru2A—C35A | 121.5 (3) | C31B—Ru1B—Ru2B—C35B | −115.5 (2) |
| P1A—Ru1A—Ru2A—C35A | −144.3 (2) | P1B—Ru1B—Ru2B—C35B | 148.9 (2) |
| Ru3A—Ru1A—Ru2A—C35A | 26.8 (2) | Ru3B—Ru1B—Ru2B—C35B | −20.6 (2) |
| C32A—Ru1A—Ru2A—C33A | 126.4 (3) | C32B—Ru1B—Ru2B—C34B | 51.6 (3) |
| C30A—Ru1A—Ru2A—C33A | 20.02 (11) | C30B—Ru1B—Ru2B—C34B | 156.44 (11) |
| C31A—Ru1A—Ru2A—C33A | −165.78 (11) | C31B—Ru1B—Ru2B—C34B | −16.36 (10) |
| P1A—Ru1A—Ru2A—C33A | −71.52 (8) | P1B—Ru1B—Ru2B—C34B | −111.99 (8) |
| Ru3A—Ru1A—Ru2A—C33A | 99.59 (8) | Ru3B—Ru1B—Ru2B—C34B | 78.53 (7) |
| C32A—Ru1A—Ru2A—C34A | −51.5 (3) | C32B—Ru1B—Ru2B—C33B | −125.2 (3) |
| C30A—Ru1A—Ru2A—C34A | −157.84 (11) | C30B—Ru1B—Ru2B—C33B | −20.35 (11) |
| C31A—Ru1A—Ru2A—C34A | 16.35 (11) | C31B—Ru1B—Ru2B—C33B | 166.84 (11) |
| P1A—Ru1A—Ru2A—C34A | 110.61 (8) | P1B—Ru1B—Ru2B—C33B | 71.22 (8) |
| Ru3A—Ru1A—Ru2A—C34A | −78.28 (8) | Ru3B—Ru1B—Ru2B—C33B | −98.27 (8) |
| C32A—Ru1A—Ru2A—P2A | −142.1 (3) | C32B—Ru1B—Ru2B—P2B | 141.3 (3) |
| C30A—Ru1A—Ru2A—P2A | 111.54 (8) | C30B—Ru1B—Ru2B—P2B | −113.90 (8) |
| C31A—Ru1A—Ru2A—P2A | −74.27 (8) | C31B—Ru1B—Ru2B—P2B | 73.29 (8) |
| P1A—Ru1A—Ru2A—P2A | 20.00 (2) | P1B—Ru1B—Ru2B—P2B | −22.33 (2) |
| Ru3A—Ru1A—Ru2A—P2A | −168.890 (18) | Ru3B—Ru1B—Ru2B—P2B | 168.180 (18) |
| C32A—Ru1A—Ru2A—Ru3A | 26.8 (3) | C32B—Ru1B—Ru2B—Ru3B | −26.9 (3) |
| C30A—Ru1A—Ru2A—Ru3A | −79.57 (8) | C30B—Ru1B—Ru2B—Ru3B | 77.92 (8) |
| C31A—Ru1A—Ru2A—Ru3A | 94.62 (8) | C31B—Ru1B—Ru2B—Ru3B | −94.89 (7) |
| P1A—Ru1A—Ru2A—Ru3A | −171.113 (17) | P1B—Ru1B—Ru2B—Ru3B | 169.488 (18) |
| C35A—Ru2A—Ru3A—C38A | −151.75 (19) | C35B—Ru2B—Ru3B—C38B | 153.9 (2) |
| C33A—Ru2A—Ru3A—C38A | −58.48 (19) | C34B—Ru2B—Ru3B—C38B | −118.4 (2) |
| C34A—Ru2A—Ru3A—C38A | 120.59 (19) | C33B—Ru2B—Ru3B—C38B | 61.1 (2) |
| P2A—Ru2A—Ru3A—C38A | 42.61 (18) | P2B—Ru2B—Ru3B—C38B | −44.60 (19) |
| Ru1A—Ru2A—Ru3A—C38A | 19.26 (17) | Ru1B—Ru2B—Ru3B—C38B | −19.18 (18) |
| C35A—Ru2A—Ru3A—C39A | 14.99 (13) | C35B—Ru2B—Ru3B—C39B | −12.43 (12) |
| C33A—Ru2A—Ru3A—C39A | 108.25 (13) | C34B—Ru2B—Ru3B—C39B | 75.23 (12) |
| C34A—Ru2A—Ru3A—C39A | −72.68 (13) | C33B—Ru2B—Ru3B—C39B | −105.23 (12) |
| P2A—Ru2A—Ru3A—C39A | −150.65 (11) | P2B—Ru2B—Ru3B—C39B | 149.04 (10) |
| Ru1A—Ru2A—Ru3A—C39A | −174.00 (10) | Ru1B—Ru2B—Ru3B—C39B | 174.46 (10) |
| C35A—Ru2A—Ru3A—C36A | −72.46 (12) | C35B—Ru2B—Ru3B—C36B | 73.70 (12) |
| C33A—Ru2A—Ru3A—C36A | 20.81 (12) | C34B—Ru2B—Ru3B—C36B | 161.35 (12) |
| C34A—Ru2A—Ru3A—C36A | −160.12 (12) | C33B—Ru2B—Ru3B—C36B | −19.11 (12) |
| P2A—Ru2A—Ru3A—C36A | 121.90 (10) | P2B—Ru2B—Ru3B—C36B | −124.84 (10) |
| Ru1A—Ru2A—Ru3A—C36A | 98.55 (9) | Ru1B—Ru2B—Ru3B—C36B | −99.42 (10) |
| C35A—Ru2A—Ru3A—C37A | 104.87 (12) | C35B—Ru2B—Ru3B—C37B | −103.30 (11) |
| C33A—Ru2A—Ru3A—C37A | −161.86 (11) | C34B—Ru2B—Ru3B—C37B | −15.64 (11) |
| C34A—Ru2A—Ru3A—C37A | 17.21 (11) | C33B—Ru2B—Ru3B—C37B | 163.90 (11) |
| P2A—Ru2A—Ru3A—C37A | −60.77 (9) | P2B—Ru2B—Ru3B—C37B | 58.17 (9) |
| Ru1A—Ru2A—Ru3A—C37A | −84.12 (8) | Ru1B—Ru2B—Ru3B—C37B | 83.59 (8) |
| C35A—Ru2A—Ru3A—Ru1A | −171.01 (8) | C35B—Ru2B—Ru3B—Ru1B | 173.11 (8) |
| C33A—Ru2A—Ru3A—Ru1A | −77.74 (7) | C34B—Ru2B—Ru3B—Ru1B | −99.23 (7) |
| C34A—Ru2A—Ru3A—Ru1A | 101.33 (7) | C33B—Ru2B—Ru3B—Ru1B | 80.31 (7) |
| P2A—Ru2A—Ru3A—Ru1A | 23.35 (4) | P2B—Ru2B—Ru3B—Ru1B | −25.42 (4) |
| C32A—Ru1A—Ru3A—C38A | 17.06 (12) | C32B—Ru1B—Ru3B—C38B | −15.52 (12) |
| C30A—Ru1A—Ru3A—C38A | −70.02 (11) | C30B—Ru1B—Ru3B—C38B | 70.69 (12) |
| C31A—Ru1A—Ru3A—C38A | 108.97 (11) | C31B—Ru1B—Ru3B—C38B | −107.04 (11) |
| P1A—Ru1A—Ru3A—C38A | −151.89 (9) | P1B—Ru1B—Ru3B—C38B | 150.06 (9) |
| Ru2A—Ru1A—Ru3A—C38A | −170.87 (8) | Ru2B—Ru1B—Ru3B—C38B | 171.16 (9) |
| C32A—Ru1A—Ru3A—C39A | −154.2 (3) | C32B—Ru1B—Ru3B—C39B | 156.1 (3) |
| C30A—Ru1A—Ru3A—C39A | 118.7 (3) | C30B—Ru1B—Ru3B—C39B | −117.7 (3) |
| C31A—Ru1A—Ru3A—C39A | −62.3 (3) | C31B—Ru1B—Ru3B—C39B | 64.6 (3) |
| P1A—Ru1A—Ru3A—C39A | 36.8 (3) | P1B—Ru1B—Ru3B—C39B | −38.3 (3) |
| Ru2A—Ru1A—Ru3A—C39A | 17.8 (3) | Ru2B—Ru1B—Ru3B—C39B | −17.2 (3) |
| C32A—Ru1A—Ru3A—C36A | 109.75 (12) | C32B—Ru1B—Ru3B—C36B | −109.58 (12) |
| C30A—Ru1A—Ru3A—C36A | 22.67 (12) | C30B—Ru1B—Ru3B—C36B | −23.36 (12) |
| C31A—Ru1A—Ru3A—C36A | −158.34 (12) | C31B—Ru1B—Ru3B—C36B | 158.91 (12) |
| P1A—Ru1A—Ru3A—C36A | −59.20 (10) | P1B—Ru1B—Ru3B—C36B | 56.00 (10) |
| Ru2A—Ru1A—Ru3A—C36A | −78.18 (10) | Ru2B—Ru1B—Ru3B—C36B | 77.11 (9) |
| C32A—Ru1A—Ru3A—C37A | −74.84 (11) | C32B—Ru1B—Ru3B—C37B | 75.69 (11) |
| C30A—Ru1A—Ru3A—C37A | −161.92 (11) | C30B—Ru1B—Ru3B—C37B | 161.91 (11) |
| C31A—Ru1A—Ru3A—C37A | 17.07 (11) | C31B—Ru1B—Ru3B—C37B | −15.82 (11) |
| P1A—Ru1A—Ru3A—C37A | 116.20 (9) | P1B—Ru1B—Ru3B—C37B | −118.73 (9) |
| Ru2A—Ru1A—Ru3A—C37A | 97.23 (8) | Ru2B—Ru1B—Ru3B—C37B | −97.62 (8) |
| C32A—Ru1A—Ru3A—Ru2A | −172.07 (8) | C32B—Ru1B—Ru3B—Ru2B | 173.32 (8) |
| C30A—Ru1A—Ru3A—Ru2A | 100.85 (8) | C30B—Ru1B—Ru3B—Ru2B | −100.47 (8) |
| C31A—Ru1A—Ru3A—Ru2A | −80.16 (8) | C31B—Ru1B—Ru3B—Ru2B | 81.80 (8) |
| P1A—Ru1A—Ru3A—Ru2A | 18.98 (4) | P1B—Ru1B—Ru3B—Ru2B | −21.10 (3) |
| C32A—Ru1A—P1A—C7A | −81.13 (12) | C32B—Ru1B—P1B—C1B | 93.21 (12) |
| C30A—Ru1A—P1A—C7A | 7.74 (11) | C30B—Ru1B—P1B—C1B | 4.18 (12) |
| C31A—Ru1A—P1A—C7A | −174.25 (11) | C31B—Ru1B—P1B—C1B | −174.31 (11) |
| Ru2A—Ru1A—P1A—C7A | 104.24 (9) | Ru2B—Ru1B—P1B—C1B | −90.86 (9) |
| Ru3A—Ru1A—P1A—C7A | 87.90 (9) | Ru3B—Ru1B—P1B—C1B | −72.70 (10) |
| C32A—Ru1A—P1A—C1A | 43.95 (12) | C32B—Ru1B—P1B—C13B | −148.09 (12) |
| C30A—Ru1A—P1A—C1A | 132.82 (12) | C30B—Ru1B—P1B—C13B | 122.88 (12) |
| C31A—Ru1A—P1A—C1A | −49.17 (12) | C31B—Ru1B—P1B—C13B | −55.61 (12) |
| Ru2A—Ru1A—P1A—C1A | −130.68 (9) | Ru2B—Ru1B—P1B—C13B | 27.84 (10) |
| Ru3A—Ru1A—P1A—C1A | −147.02 (9) | Ru3B—Ru1B—P1B—C13B | 46.00 (11) |
| C32A—Ru1A—P1A—C13A | 161.67 (12) | C32B—Ru1B—P1B—C7B | −34.56 (12) |
| C30A—Ru1A—P1A—C13A | −109.47 (12) | C30B—Ru1B—P1B—C7B | −123.59 (12) |
| C31A—Ru1A—P1A—C13A | 68.54 (12) | C31B—Ru1B—P1B—C7B | 57.91 (12) |
| Ru2A—Ru1A—P1A—C13A | −12.97 (9) | Ru2B—Ru1B—P1B—C7B | 141.37 (9) |
| Ru3A—Ru1A—P1A—C13A | −29.31 (11) | Ru3B—Ru1B—P1B—C7B | 159.52 (9) |
| C35A—Ru2A—P2A—C14A | −93.15 (12) | C35B—Ru2B—P2B—C14B | −41.26 (12) |
| C33A—Ru2A—P2A—C14A | 173.81 (11) | C34B—Ru2B—P2B—C14B | −130.33 (12) |
| C34A—Ru2A—P2A—C14A | −3.94 (12) | C33B—Ru2B—P2B—C14B | 51.90 (12) |
| Ru3A—Ru2A—P2A—C14A | 72.19 (10) | Ru1B—Ru2B—P2B—C14B | 135.70 (9) |
| Ru1A—Ru2A—P2A—C14A | 92.34 (9) | Ru3B—Ru2B—P2B—C14B | 157.64 (9) |
| C35A—Ru2A—P2A—C13A | 148.23 (12) | C35B—Ru2B—P2B—C20B | 82.31 (12) |
| C33A—Ru2A—P2A—C13A | 55.18 (12) | C34B—Ru2B—P2B—C20B | −6.76 (11) |
| C34A—Ru2A—P2A—C13A | −122.56 (12) | C33B—Ru2B—P2B—C20B | 175.47 (11) |
| Ru3A—Ru2A—P2A—C13A | −46.43 (10) | Ru1B—Ru2B—P2B—C20B | −100.73 (9) |
| Ru1A—Ru2A—P2A—C13A | −26.28 (9) | Ru3B—Ru2B—P2B—C20B | −78.79 (9) |
| C35A—Ru2A—P2A—C20A | 32.63 (13) | C35B—Ru2B—P2B—C13B | −160.80 (12) |
| C33A—Ru2A—P2A—C20A | −60.41 (12) | C34B—Ru2B—P2B—C13B | 110.13 (12) |
| C34A—Ru2A—P2A—C20A | 121.84 (12) | C33B—Ru2B—P2B—C13B | −67.64 (12) |
| Ru3A—Ru2A—P2A—C20A | −162.03 (9) | Ru1B—Ru2B—P2B—C13B | 16.16 (10) |
| Ru1A—Ru2A—P2A—C20A | −141.87 (10) | Ru3B—Ru2B—P2B—C13B | 38.09 (11) |
| C7A—P1A—C1A—C6A | 135.0 (2) | C13B—P1B—C1B—C6B | −24.2 (2) |
| C13A—P1A—C1A—C6A | −118.4 (2) | C7B—P1B—C1B—C6B | −125.7 (2) |
| Ru1A—P1A—C1A—C6A | 7.1 (2) | Ru1B—P1B—C1B—C6B | 100.6 (2) |
| C7A—P1A—C1A—C2A | −49.2 (2) | C13B—P1B—C1B—C2B | 159.3 (2) |
| C13A—P1A—C1A—C2A | 57.4 (2) | C7B—P1B—C1B—C2B | 57.9 (2) |
| Ru1A—P1A—C1A—C2A | −177.12 (19) | Ru1B—P1B—C1B—C2B | −75.9 (2) |
| C6A—C1A—C2A—C3A | 1.9 (4) | C6B—C1B—C2B—C3B | 3.0 (4) |
| P1A—C1A—C2A—C3A | −173.7 (2) | P1B—C1B—C2B—C3B | 179.48 (19) |
| C6A—C1A—C2A—C26A | −175.1 (3) | C6B—C1B—C2B—C26B | −178.9 (3) |
| P1A—C1A—C2A—C26A | 9.2 (4) | P1B—C1B—C2B—C26B | −2.4 (4) |
| C1A—C2A—C3A—C4A | 0.2 (4) | C1B—C2B—C3B—C4B | −2.2 (4) |
| C26A—C2A—C3A—C4A | 177.4 (3) | C26B—C2B—C3B—C4B | 179.6 (3) |
| C2A—C3A—C4A—C5A | −2.0 (5) | C2B—C3B—C4B—C5B | 0.0 (4) |
| C3A—C4A—C5A—C6A | 1.7 (4) | C3B—C4B—C5B—C6B | 1.4 (4) |
| C4A—C5A—C6A—C1A | 0.5 (4) | C4B—C5B—C6B—C1B | −0.5 (4) |
| C2A—C1A—C6A—C5A | −2.3 (4) | C2B—C1B—C6B—C5B | −1.7 (4) |
| P1A—C1A—C6A—C5A | 173.6 (2) | P1B—C1B—C6B—C5B | −178.2 (2) |
| C1A—P1A—C7A—C12A | 135.6 (2) | C1B—P1B—C7B—C12B | −152.72 (19) |
| C13A—P1A—C7A—C12A | 31.1 (2) | C13B—P1B—C7B—C12B | 100.4 (2) |
| Ru1A—P1A—C7A—C12A | −93.2 (2) | Ru1B—P1B—C7B—C12B | −22.7 (2) |
| C1A—P1A—C7A—C8A | −48.8 (2) | C1B—P1B—C7B—C8B | 36.6 (2) |
| C13A—P1A—C7A—C8A | −153.3 (2) | C13B—P1B—C7B—C8B | −70.3 (2) |
| Ru1A—P1A—C7A—C8A | 82.4 (2) | Ru1B—P1B—C7B—C8B | 166.63 (18) |
| C12A—C7A—C8A—C9A | −2.9 (4) | C12B—C7B—C8B—C9B | −0.7 (4) |
| P1A—C7A—C8A—C9A | −178.5 (2) | P1B—C7B—C8B—C9B | 169.6 (2) |
| C12A—C7A—C8A—C27A | 177.3 (3) | C12B—C7B—C8B—C27B | −179.9 (2) |
| P1A—C7A—C8A—C27A | 1.7 (4) | P1B—C7B—C8B—C27B | −9.6 (4) |
| C7A—C8A—C9A—C10A | 1.1 (4) | C7B—C8B—C9B—C10B | −0.9 (4) |
| C27A—C8A—C9A—C10A | −179.0 (3) | C27B—C8B—C9B—C10B | 178.3 (3) |
| C8A—C9A—C10A—C11A | 1.4 (4) | C8B—C9B—C10B—C11B | 1.2 (4) |
| C9A—C10A—C11A—C12A | −2.2 (4) | C9B—C10B—C11B—C12B | 0.2 (4) |
| C10A—C11A—C12A—C7A | 0.4 (4) | C10B—C11B—C12B—C7B | −1.9 (4) |
| C8A—C7A—C12A—C11A | 2.2 (4) | C8B—C7B—C12B—C11B | 2.2 (4) |
| P1A—C7A—C12A—C11A | 177.9 (2) | P1B—C7B—C12B—C11B | −169.1 (2) |
| C14A—P2A—C13A—P1A | −100.89 (16) | C1B—P1B—C13B—P2B | 100.90 (16) |
| C20A—P2A—C13A—P1A | 148.82 (15) | C7B—P1B—C13B—P2B | −149.05 (15) |
| Ru2A—P2A—C13A—P1A | 22.80 (18) | Ru1B—P1B—C13B—P2B | −22.53 (18) |
| C7A—P1A—C13A—P2A | −125.87 (15) | C14B—P2B—C13B—P1B | −129.22 (15) |
| C1A—P1A—C13A—P2A | 124.39 (15) | C20B—P2B—C13B—P1B | 121.84 (15) |
| Ru1A—P1A—C13A—P2A | −3.25 (18) | Ru2B—P2B—C13B—P1B | 0.44 (18) |
| C13A—P2A—C14A—C19A | 23.7 (2) | C20B—P2B—C14B—C19B | −132.4 (2) |
| C20A—P2A—C14A—C19A | 128.2 (2) | C13B—P2B—C14B—C19B | 120.3 (2) |
| Ru2A—P2A—C14A—C19A | −100.5 (2) | Ru2B—P2B—C14B—C19B | −6.0 (2) |
| C13A—P2A—C14A—C15A | −160.4 (2) | C20B—P2B—C14B—C15B | 48.4 (2) |
| C20A—P2A—C14A—C15A | −56.0 (2) | C13B—P2B—C14B—C15B | −58.9 (2) |
| Ru2A—P2A—C14A—C15A | 75.3 (2) | Ru2B—P2B—C14B—C15B | 174.80 (18) |
| C19A—C14A—C15A—C16A | −3.0 (4) | C19B—C14B—C15B—C16B | 0.5 (4) |
| P2A—C14A—C15A—C16A | −178.8 (2) | P2B—C14B—C15B—C16B | 179.7 (2) |
| C19A—C14A—C15A—C28A | 178.8 (3) | C19B—C14B—C15B—C28B | −179.6 (3) |
| P2A—C14A—C15A—C28A | 2.9 (4) | P2B—C14B—C15B—C28B | −0.4 (4) |
| C14A—C15A—C16A—C17A | 1.6 (4) | C14B—C15B—C16B—C17B | −1.0 (5) |
| C28A—C15A—C16A—C17A | 180.0 (3) | C28B—C15B—C16B—C17B | 179.1 (3) |
| C15A—C16A—C17A—C18A | 0.8 (5) | C15B—C16B—C17B—C18B | 0.1 (5) |
| C16A—C17A—C18A—C19A | −1.9 (4) | C16B—C17B—C18B—C19B | 1.3 (5) |
| C17A—C18A—C19A—C14A | 0.5 (4) | C17B—C18B—C19B—C14B | −1.8 (5) |
| C15A—C14A—C19A—C18A | 1.9 (4) | C15B—C14B—C19B—C18B | 0.9 (4) |
| P2A—C14A—C19A—C18A | 177.8 (2) | P2B—C14B—C19B—C18B | −178.4 (2) |
| C14A—P2A—C20A—C25A | 143.5 (2) | C14B—P2B—C20B—C21B | 51.6 (2) |
| C13A—P2A—C20A—C25A | −108.7 (2) | C13B—P2B—C20B—C21B | 156.9 (2) |
| Ru2A—P2A—C20A—C25A | 14.7 (2) | Ru2B—P2B—C20B—C21B | −79.6 (2) |
| C14A—P2A—C20A—C21A | −41.6 (3) | C14B—P2B—C20B—C25B | −134.1 (2) |
| C13A—P2A—C20A—C21A | 66.3 (3) | C13B—P2B—C20B—C25B | −28.8 (2) |
| Ru2A—P2A—C20A—C21A | −170.3 (2) | Ru2B—P2B—C20B—C25B | 94.7 (2) |
| C25A—C20A—C21A—C22A | −2.5 (5) | C25B—C20B—C21B—C22B | 2.1 (4) |
| P2A—C20A—C21A—C22A | −177.4 (3) | P2B—C20B—C21B—C22B | 176.54 (19) |
| C25A—C20A—C21A—C29A | 178.0 (3) | C25B—C20B—C21B—C29B | −177.0 (2) |
| P2A—C20A—C21A—C29A | 3.2 (5) | P2B—C20B—C21B—C29B | −2.7 (4) |
| C20A—C21A—C22A—C23A | 2.9 (6) | C20B—C21B—C22B—C23B | −1.1 (4) |
| C29A—C21A—C22A—C23A | −177.7 (4) | C29B—C21B—C22B—C23B | 178.1 (3) |
| C21A—C22A—C23A—C24A | −0.9 (6) | C21B—C22B—C23B—C24B | −0.4 (4) |
| C22A—C23A—C24A—C25A | −1.4 (5) | C22B—C23B—C24B—C25B | 0.8 (4) |
| C21A—C20A—C25A—C24A | 0.3 (4) | C23B—C24B—C25B—C20B | 0.3 (4) |
| P2A—C20A—C25A—C24A | 175.6 (2) | C21B—C20B—C25B—C24B | −1.8 (4) |
| C23A—C24A—C25A—C20A | 1.7 (4) | P2B—C20B—C25B—C24B | −176.2 (2) |
| Cg1 is centroid of the C14A–C19A benzene ring. |
| H··· | ||||
| C11B—H11B···O1Bi | 0.93 | 2.54 | 3.251 (3) | 134 |
| C24A—H24A···O5Aii | 0.93 | 2.49 | 3.240 (4) | 138 |
| C29A—H29B···Cg1 | 0.96 | 2.96 | 3.702 (4) | 135 |
Selected bond lengths (Å)
| Ru1 | 2.3451 (7) |
| Ru2 | 2.3422 (7) |
| Ru1 | 2.3450 (7) |
| Ru2 | 2.3459 (7) |
Hydrogen-bond geometry (Å, °)
Cg1 is centroid of the C14A–C19A benzene ring.
| H⋯ | ||||
|---|---|---|---|---|
| C11 | 0.93 | 2.54 | 3.251 (3) | 134 |
| C24 | 0.93 | 2.49 | 3.240 (4) | 138 |
| C29 | 0.96 | 2.96 | 3.702 (4) | 135 |
Symmetry codes: (i) ; (ii) .