| Literature DB >> 21522878 |
Omar Bin Shawkataly, Imthyaz Ahmed Khan, Siti Syaida Sirat, Chin Sing Yeap, Hoong-Kun Fun.
Abstract
In the title triangulo-triruthenium compound, [Ru(3)(C(36)H(27)As)(C(25)H(22)P(2))(CO)(9)], the bis-(diphenyl-phosphan-yl)methane ligand bridges an Ru-Ru bond and the monodentate arsine ligand bonds to the third Ru atom. Both the arsine and phosphine ligands are equatorial with respect to the Ru(3) triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. In each biphenyl unit, the phenyl rings are twisted from each other, making dihedral angles of 51.22 (18), 42.94 (16) and 26.95 (16)°. The arsine-substituted phenyl rings make dihedral angles of 61.22 (15), 87.17 (15) and 83.32 (15)° with each other. The dihedral angles between the two benzene rings are 85.52 (18) and 81.77 (15)° for the two diphenyl-phosphanyl groups, respectively. In the crystal, mol-ecules are linked into dimers by inter-molecular C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π and π-π [centroid-centroid distance = 3.6981 (18) Å] inter-actions stabilize the crystal structure.Entities:
Year: 2011 PMID: 21522878 PMCID: PMC3051758 DOI: 10.1107/S160053681100078X
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Ru3(C36H27As)(C25H22P2)(CO)9] | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 9028 reflections | |
| θ = 2.8–29.9° | |
| µ = 1.42 mm−1 | |
| α = 81.029 (1)° | |
| β = 82.769 (1)° | Plate, brown |
| γ = 79.265 (1)° | 0.50 × 0.17 × 0.02 mm |
| Bruker APEXII DUO CCD area-detector diffractometer | 13475 independent reflections |
| Radiation source: fine-focus sealed tube | 11159 reflections with |
| graphite | |
| φ and ω scans | θmax = 27.5°, θmin = 1.8° |
| Absorption correction: multi-scan ( | |
| 50392 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 | |
| 13475 reflections | (Δ/σ)max = 0.001 |
| 766 parameters | Δρmax = 0.91 e Å−3 |
| 0 restraints | Δρmin = −0.67 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 |
| Ru1 | 0.44891 (2) | −0.078490 (17) | 0.251421 (10) | 0.01666 (6) | |
| Ru2 | 0.59682 (2) | 0.043132 (17) | 0.162673 (10) | 0.01608 (6) | |
| Ru3 | 0.38778 (2) | 0.156754 (18) | 0.228718 (10) | 0.01686 (6) | |
| As1 | 0.18353 (3) | 0.23145 (2) | 0.280389 (13) | 0.01803 (7) | |
| P1 | 0.53340 (7) | −0.23935 (6) | 0.21184 (3) | 0.01721 (15) | |
| P2 | 0.74739 (7) | −0.11370 (6) | 0.15430 (3) | 0.01714 (15) | |
| O1 | 0.6635 (2) | −0.08213 (19) | 0.32987 (10) | 0.0307 (5) | |
| O2 | 0.2964 (2) | −0.1792 (2) | 0.36158 (10) | 0.0366 (6) | |
| O3 | 0.2224 (2) | −0.04572 (19) | 0.17687 (10) | 0.0306 (5) | |
| O4 | 0.4449 (2) | −0.02871 (18) | 0.07405 (10) | 0.0278 (5) | |
| O5 | 0.6747 (3) | 0.21237 (19) | 0.06021 (10) | 0.0377 (6) | |
| O6 | 0.7332 (2) | 0.1412 (2) | 0.24679 (10) | 0.0315 (5) | |
| O7 | 0.5071 (2) | 0.1390 (2) | 0.34769 (10) | 0.0325 (5) | |
| O8 | 0.4815 (3) | 0.36584 (19) | 0.17562 (11) | 0.0404 (6) | |
| O9 | 0.2679 (2) | 0.17734 (18) | 0.11014 (10) | 0.0300 (5) | |
| C1 | 0.4231 (3) | −0.2927 (2) | 0.17412 (13) | 0.0214 (6) | |
| C2 | 0.4389 (4) | −0.3083 (3) | 0.11416 (15) | 0.0347 (8) | |
| H2A | 0.5104 | −0.2910 | 0.0899 | 0.042* | |
| C3 | 0.3489 (4) | −0.3499 (3) | 0.08924 (17) | 0.0437 (10) | |
| H3A | 0.3605 | −0.3593 | 0.0485 | 0.052* | |
| C4 | 0.2444 (3) | −0.3767 (3) | 0.12452 (17) | 0.0345 (8) | |
| H4A | 0.1864 | −0.4072 | 0.1084 | 0.041* | |
| C5 | 0.2255 (4) | −0.3585 (3) | 0.18381 (18) | 0.0373 (9) | |
| H5A | 0.1529 | −0.3746 | 0.2075 | 0.045* | |
| C6 | 0.3125 (3) | −0.3169 (3) | 0.20871 (16) | 0.0329 (8) | |
| H6A | 0.2978 | −0.3046 | 0.2489 | 0.040* | |
| C7 | 0.5935 (3) | −0.3629 (2) | 0.26236 (13) | 0.0216 (6) | |
| C8 | 0.6277 (3) | −0.4617 (2) | 0.23914 (14) | 0.0275 (7) | |
| H8A | 0.6143 | −0.4654 | 0.1995 | 0.033* | |
| C9 | 0.6816 (4) | −0.5544 (3) | 0.27470 (16) | 0.0383 (9) | |
| H9A | 0.7049 | −0.6199 | 0.2588 | 0.046* | |
| C10 | 0.7004 (4) | −0.5497 (3) | 0.33351 (16) | 0.0392 (9) | |
| H10A | 0.7373 | −0.6118 | 0.3573 | 0.047* | |
| C11 | 0.6646 (4) | −0.4525 (3) | 0.35749 (15) | 0.0346 (8) | |
| H11A | 0.6762 | −0.4501 | 0.3975 | 0.041* | |
| C12 | 0.6117 (3) | −0.3592 (3) | 0.32242 (14) | 0.0259 (7) | |
| H12A | 0.5883 | −0.2942 | 0.3387 | 0.031* | |
| C13 | 0.6680 (3) | −0.2300 (2) | 0.15242 (12) | 0.0190 (6) | |
| H13A | 0.7289 | −0.2968 | 0.1575 | 0.023* | |
| H13B | 0.6376 | −0.2236 | 0.1130 | 0.023* | |
| C14 | 0.8514 (3) | −0.1181 (2) | 0.08339 (13) | 0.0201 (6) | |
| C15 | 0.8004 (3) | −0.0690 (2) | 0.02949 (13) | 0.0237 (6) | |
| H15A | 0.7168 | −0.0342 | 0.0304 | 0.028* | |
| C16 | 0.8753 (3) | −0.0727 (3) | −0.02557 (13) | 0.0280 (7) | |
| H16A | 0.8415 | −0.0407 | −0.0614 | 0.034* | |
| C17 | 0.9990 (3) | −0.1235 (2) | −0.02698 (14) | 0.0278 (7) | |
| H17A | 1.0490 | −0.1246 | −0.0638 | 0.033* | |
| C18 | 1.0501 (3) | −0.1732 (3) | 0.02629 (15) | 0.0296 (7) | |
| H18A | 1.1336 | −0.2083 | 0.0251 | 0.036* | |
| C19 | 0.9754 (3) | −0.1701 (2) | 0.08146 (14) | 0.0249 (7) | |
| H19A | 1.0093 | −0.2032 | 0.1171 | 0.030* | |
| C20 | 0.8549 (3) | −0.1593 (2) | 0.21285 (13) | 0.0203 (6) | |
| C21 | 0.8689 (3) | −0.2634 (3) | 0.24509 (14) | 0.0249 (6) | |
| H21A | 0.8234 | −0.3136 | 0.2361 | 0.030* | |
| C22 | 0.9496 (3) | −0.2942 (3) | 0.29044 (15) | 0.0312 (7) | |
| H22A | 0.9573 | −0.3640 | 0.3119 | 0.037* | |
| C23 | 1.0183 (3) | −0.2204 (3) | 0.30354 (15) | 0.0332 (8) | |
| H23A | 1.0722 | −0.2408 | 0.3340 | 0.040* | |
| C24 | 1.0076 (3) | −0.1164 (3) | 0.27177 (14) | 0.0302 (7) | |
| H24A | 1.0543 | −0.0671 | 0.2807 | 0.036* | |
| C25 | 0.9266 (3) | −0.0862 (3) | 0.22646 (14) | 0.0269 (7) | |
| H25A | 0.9199 | −0.0165 | 0.2049 | 0.032* | |
| C26 | 0.0712 (3) | 0.1451 (2) | 0.33399 (13) | 0.0214 (6) | |
| C27 | −0.0586 (3) | 0.1666 (2) | 0.33179 (13) | 0.0240 (6) | |
| H27A | −0.0941 | 0.2243 | 0.3047 | 0.029* | |
| C28 | −0.1362 (3) | 0.1027 (3) | 0.36984 (13) | 0.0253 (7) | |
| H28A | −0.2231 | 0.1185 | 0.3681 | 0.030* | |
| C29 | −0.0847 (3) | 0.0155 (3) | 0.41026 (13) | 0.0260 (7) | |
| C30 | 0.0441 (3) | −0.0045 (3) | 0.41272 (14) | 0.0303 (7) | |
| H30A | 0.0796 | −0.0618 | 0.4400 | 0.036* | |
| C31 | 0.1223 (3) | 0.0596 (3) | 0.37503 (14) | 0.0277 (7) | |
| H31A | 0.2090 | 0.0448 | 0.3775 | 0.033* | |
| C32 | −0.1695 (3) | −0.0550 (3) | 0.44874 (14) | 0.0280 (7) | |
| C33 | −0.2758 (4) | −0.0132 (3) | 0.48258 (18) | 0.0440 (10) | |
| H33A | −0.2972 | 0.0619 | 0.4820 | 0.053* | |
| C34 | −0.3534 (4) | −0.0810 (4) | 0.51826 (19) | 0.0497 (11) | |
| H34A | −0.4251 | −0.0504 | 0.5410 | 0.060* | |
| C35 | −0.3249 (4) | −0.1900 (3) | 0.51981 (17) | 0.0426 (10) | |
| H35A | −0.3751 | −0.2351 | 0.5443 | 0.051* | |
| C36 | −0.2208 (5) | −0.2332 (3) | 0.48460 (19) | 0.0520 (11) | |
| H36A | −0.2026 | −0.3080 | 0.4837 | 0.062* | |
| C37 | −0.1421 (4) | −0.1665 (3) | 0.45017 (17) | 0.0418 (9) | |
| H37A | −0.0700 | −0.1975 | 0.4278 | 0.050* | |
| C38 | 0.0689 (3) | 0.3128 (2) | 0.22322 (13) | 0.0189 (6) | |
| C39 | 0.0500 (3) | 0.4262 (2) | 0.21320 (14) | 0.0253 (7) | |
| H39A | 0.0863 | 0.4639 | 0.2369 | 0.030* | |
| C40 | −0.0220 (3) | 0.4828 (2) | 0.16844 (14) | 0.0255 (7) | |
| H40A | −0.0321 | 0.5585 | 0.1618 | 0.031* | |
| C41 | −0.0798 (3) | 0.4293 (2) | 0.13306 (13) | 0.0201 (6) | |
| C42 | −0.0631 (3) | 0.3152 (2) | 0.14432 (14) | 0.0240 (6) | |
| H42A | −0.1029 | 0.2777 | 0.1220 | 0.029* | |
| C43 | 0.0116 (3) | 0.2581 (2) | 0.18805 (14) | 0.0238 (6) | |
| H43A | 0.0238 | 0.1824 | 0.1941 | 0.029* | |
| C44 | −0.1574 (3) | 0.4898 (2) | 0.08500 (13) | 0.0229 (6) | |
| C45 | −0.1181 (3) | 0.5773 (3) | 0.04611 (14) | 0.0296 (7) | |
| H45A | −0.0429 | 0.5989 | 0.0508 | 0.035* | |
| C46 | −0.1900 (4) | 0.6326 (3) | 0.00051 (16) | 0.0387 (9) | |
| H46A | −0.1632 | 0.6909 | −0.0252 | 0.046* | |
| C47 | −0.3019 (4) | 0.6006 (3) | −0.00657 (17) | 0.0425 (9) | |
| H47A | −0.3497 | 0.6367 | −0.0376 | 0.051* | |
| C48 | −0.3424 (4) | 0.5159 (3) | 0.03199 (18) | 0.0432 (9) | |
| H48A | −0.4188 | 0.4959 | 0.0276 | 0.052* | |
| C49 | −0.2709 (3) | 0.4600 (3) | 0.07737 (15) | 0.0311 (7) | |
| H49A | −0.2990 | 0.4021 | 0.1030 | 0.037* | |
| C50 | 0.1957 (3) | 0.3424 (2) | 0.32999 (13) | 0.0206 (6) | |
| C51 | 0.3039 (3) | 0.3891 (3) | 0.32329 (14) | 0.0270 (7) | |
| H51A | 0.3696 | 0.3683 | 0.2944 | 0.032* | |
| C52 | 0.3153 (3) | 0.4654 (3) | 0.35879 (14) | 0.0283 (7) | |
| H52A | 0.3883 | 0.4960 | 0.3530 | 0.034* | |
| C53 | 0.2209 (3) | 0.4978 (2) | 0.40296 (13) | 0.0244 (7) | |
| C54 | 0.1089 (3) | 0.4544 (3) | 0.40785 (14) | 0.0293 (7) | |
| H54A | 0.0419 | 0.4775 | 0.4356 | 0.035* | |
| C55 | 0.0971 (3) | 0.3781 (3) | 0.37216 (14) | 0.0275 (7) | |
| H55A | 0.0225 | 0.3501 | 0.3763 | 0.033* | |
| C56 | 0.2393 (3) | 0.5731 (3) | 0.44450 (13) | 0.0276 (7) | |
| C57 | 0.3587 (4) | 0.5795 (3) | 0.45740 (15) | 0.0357 (8) | |
| H57A | 0.4278 | 0.5355 | 0.4398 | 0.043* | |
| C58 | 0.3789 (4) | 0.6495 (3) | 0.49567 (16) | 0.0417 (9) | |
| H58A | 0.4604 | 0.6527 | 0.5032 | 0.050* | |
| C59 | 0.2778 (5) | 0.7135 (3) | 0.52219 (15) | 0.0448 (11) | |
| H59A | 0.2904 | 0.7598 | 0.5485 | 0.054* | |
| C60 | 0.1584 (4) | 0.7098 (3) | 0.51025 (15) | 0.0400 (10) | |
| H60A | 0.0903 | 0.7540 | 0.5284 | 0.048* | |
| C61 | 0.1373 (4) | 0.6409 (3) | 0.47137 (15) | 0.0353 (8) | |
| H61A | 0.0556 | 0.6398 | 0.4632 | 0.042* | |
| C62 | 0.5866 (3) | −0.0778 (2) | 0.29897 (13) | 0.0233 (6) | |
| C63 | 0.3517 (3) | −0.1386 (2) | 0.31993 (13) | 0.0234 (6) | |
| C64 | 0.3081 (3) | −0.0515 (2) | 0.20328 (13) | 0.0219 (6) | |
| C65 | 0.4964 (3) | −0.0032 (2) | 0.10934 (13) | 0.0213 (6) | |
| C66 | 0.6478 (3) | 0.1485 (2) | 0.09948 (13) | 0.0235 (6) | |
| C67 | 0.6797 (3) | 0.1011 (2) | 0.21860 (13) | 0.0235 (6) | |
| C68 | 0.4649 (3) | 0.1379 (2) | 0.30345 (14) | 0.0248 (7) | |
| C69 | 0.4426 (3) | 0.2888 (2) | 0.19714 (14) | 0.0264 (7) | |
| C70 | 0.3137 (3) | 0.1633 (2) | 0.15409 (14) | 0.0232 (6) |
| Ru1 | 0.01510 (13) | 0.01704 (11) | 0.01680 (11) | −0.00413 (9) | 0.00168 (9) | −0.00005 (8) |
| Ru2 | 0.01274 (12) | 0.01755 (11) | 0.01752 (11) | −0.00462 (9) | 0.00147 (9) | −0.00097 (8) |
| Ru3 | 0.01466 (12) | 0.01714 (11) | 0.01768 (11) | −0.00304 (9) | 0.00072 (9) | −0.00051 (8) |
| As1 | 0.01521 (16) | 0.01817 (14) | 0.02020 (14) | −0.00388 (11) | −0.00016 (11) | −0.00104 (11) |
| P1 | 0.0151 (4) | 0.0171 (3) | 0.0187 (3) | −0.0043 (3) | 0.0000 (3) | 0.0001 (3) |
| P2 | 0.0133 (4) | 0.0192 (3) | 0.0186 (3) | −0.0041 (3) | 0.0008 (3) | −0.0017 (3) |
| O1 | 0.0280 (14) | 0.0378 (13) | 0.0279 (11) | −0.0057 (11) | −0.0070 (10) | −0.0052 (10) |
| O2 | 0.0341 (15) | 0.0388 (13) | 0.0309 (12) | −0.0096 (12) | 0.0090 (11) | 0.0085 (10) |
| O3 | 0.0235 (13) | 0.0353 (12) | 0.0332 (12) | −0.0119 (10) | −0.0074 (10) | 0.0071 (10) |
| O4 | 0.0234 (13) | 0.0366 (12) | 0.0258 (11) | −0.0082 (10) | −0.0042 (9) | −0.0064 (9) |
| O5 | 0.0469 (17) | 0.0292 (12) | 0.0332 (12) | −0.0144 (12) | 0.0128 (12) | 0.0034 (10) |
| O6 | 0.0218 (13) | 0.0428 (13) | 0.0350 (12) | −0.0111 (11) | −0.0034 (10) | −0.0141 (10) |
| O7 | 0.0280 (14) | 0.0446 (14) | 0.0262 (12) | −0.0020 (11) | −0.0055 (10) | −0.0117 (10) |
| O8 | 0.0486 (18) | 0.0282 (12) | 0.0440 (14) | −0.0193 (12) | 0.0108 (13) | −0.0008 (10) |
| O9 | 0.0346 (15) | 0.0286 (11) | 0.0248 (11) | 0.0020 (10) | −0.0102 (10) | −0.0004 (9) |
| C1 | 0.0194 (16) | 0.0156 (13) | 0.0292 (15) | −0.0046 (12) | −0.0030 (12) | −0.0010 (11) |
| C2 | 0.034 (2) | 0.046 (2) | 0.0302 (17) | −0.0238 (17) | −0.0013 (15) | −0.0046 (15) |
| C3 | 0.047 (3) | 0.059 (2) | 0.0349 (19) | −0.026 (2) | −0.0120 (18) | −0.0083 (17) |
| C4 | 0.0232 (19) | 0.0317 (17) | 0.053 (2) | −0.0069 (15) | −0.0106 (16) | −0.0100 (15) |
| C5 | 0.0218 (19) | 0.0364 (19) | 0.058 (2) | −0.0152 (15) | 0.0048 (17) | −0.0136 (17) |
| C6 | 0.027 (2) | 0.0382 (18) | 0.0358 (18) | −0.0144 (15) | 0.0078 (15) | −0.0107 (14) |
| C7 | 0.0156 (16) | 0.0218 (14) | 0.0248 (14) | −0.0038 (12) | 0.0014 (12) | 0.0026 (11) |
| C8 | 0.0291 (19) | 0.0225 (15) | 0.0275 (16) | −0.0002 (13) | 0.0019 (14) | −0.0015 (12) |
| C9 | 0.043 (2) | 0.0271 (17) | 0.0387 (19) | 0.0015 (16) | 0.0015 (17) | 0.0010 (14) |
| C10 | 0.040 (2) | 0.0328 (18) | 0.0362 (19) | 0.0029 (16) | −0.0016 (17) | 0.0102 (15) |
| C11 | 0.032 (2) | 0.0418 (19) | 0.0245 (16) | −0.0019 (16) | −0.0019 (14) | 0.0080 (14) |
| C12 | 0.0215 (17) | 0.0275 (15) | 0.0261 (15) | −0.0032 (13) | 0.0018 (13) | 0.0002 (12) |
| C13 | 0.0179 (16) | 0.0193 (13) | 0.0200 (13) | −0.0034 (12) | 0.0015 (11) | −0.0053 (11) |
| C14 | 0.0195 (16) | 0.0205 (13) | 0.0208 (13) | −0.0077 (12) | 0.0029 (12) | −0.0032 (11) |
| C15 | 0.0205 (17) | 0.0269 (15) | 0.0257 (15) | −0.0090 (13) | 0.0022 (12) | −0.0074 (12) |
| C16 | 0.035 (2) | 0.0340 (17) | 0.0186 (14) | −0.0147 (15) | 0.0006 (13) | −0.0056 (12) |
| C17 | 0.034 (2) | 0.0262 (15) | 0.0253 (15) | −0.0123 (14) | 0.0090 (14) | −0.0093 (12) |
| C18 | 0.0216 (18) | 0.0298 (16) | 0.0351 (17) | −0.0044 (14) | 0.0098 (14) | −0.0077 (13) |
| C19 | 0.0241 (18) | 0.0241 (15) | 0.0241 (15) | −0.0042 (13) | 0.0046 (13) | −0.0019 (12) |
| C20 | 0.0133 (15) | 0.0260 (14) | 0.0206 (14) | −0.0006 (12) | −0.0002 (11) | −0.0047 (11) |
| C21 | 0.0176 (16) | 0.0293 (16) | 0.0278 (15) | −0.0048 (13) | −0.0004 (13) | −0.0041 (12) |
| C22 | 0.0228 (18) | 0.0362 (18) | 0.0294 (16) | 0.0014 (14) | −0.0025 (14) | 0.0041 (14) |
| C23 | 0.0199 (18) | 0.052 (2) | 0.0256 (16) | 0.0000 (16) | −0.0037 (13) | −0.0055 (15) |
| C24 | 0.0190 (18) | 0.0442 (19) | 0.0297 (16) | −0.0073 (15) | 0.0018 (13) | −0.0137 (14) |
| C25 | 0.0192 (17) | 0.0348 (17) | 0.0272 (15) | −0.0067 (14) | 0.0010 (13) | −0.0060 (13) |
| C26 | 0.0227 (17) | 0.0219 (14) | 0.0195 (13) | −0.0066 (12) | 0.0025 (12) | −0.0026 (11) |
| C27 | 0.0219 (17) | 0.0239 (14) | 0.0254 (15) | −0.0041 (13) | −0.0028 (13) | −0.0007 (12) |
| C28 | 0.0177 (17) | 0.0309 (16) | 0.0281 (15) | −0.0075 (13) | −0.0003 (13) | −0.0038 (13) |
| C29 | 0.0270 (18) | 0.0278 (15) | 0.0238 (15) | −0.0113 (14) | 0.0040 (13) | −0.0029 (12) |
| C30 | 0.0278 (19) | 0.0318 (17) | 0.0285 (16) | −0.0064 (15) | −0.0037 (14) | 0.0066 (13) |
| C31 | 0.0167 (17) | 0.0321 (16) | 0.0310 (16) | −0.0017 (13) | −0.0007 (13) | 0.0013 (13) |
| C32 | 0.0276 (19) | 0.0350 (17) | 0.0219 (15) | −0.0112 (15) | −0.0025 (13) | 0.0015 (13) |
| C33 | 0.037 (2) | 0.039 (2) | 0.052 (2) | −0.0109 (18) | 0.0119 (19) | −0.0010 (17) |
| C34 | 0.033 (2) | 0.058 (3) | 0.052 (2) | −0.013 (2) | 0.0123 (19) | 0.005 (2) |
| C35 | 0.042 (2) | 0.048 (2) | 0.039 (2) | −0.0259 (19) | −0.0019 (18) | 0.0117 (17) |
| C36 | 0.062 (3) | 0.043 (2) | 0.049 (2) | −0.022 (2) | 0.008 (2) | 0.0050 (18) |
| C37 | 0.047 (3) | 0.0365 (19) | 0.0382 (19) | −0.0132 (18) | 0.0086 (18) | 0.0015 (15) |
| C38 | 0.0135 (15) | 0.0200 (13) | 0.0221 (14) | −0.0033 (11) | −0.0006 (11) | 0.0001 (11) |
| C39 | 0.0277 (18) | 0.0208 (14) | 0.0304 (16) | −0.0078 (13) | −0.0071 (14) | −0.0044 (12) |
| C40 | 0.0280 (19) | 0.0185 (14) | 0.0305 (16) | −0.0030 (13) | −0.0086 (14) | −0.0012 (12) |
| C41 | 0.0152 (15) | 0.0216 (14) | 0.0217 (14) | −0.0018 (12) | 0.0017 (11) | −0.0021 (11) |
| C42 | 0.0252 (18) | 0.0201 (14) | 0.0282 (15) | −0.0050 (13) | −0.0053 (13) | −0.0050 (12) |
| C43 | 0.0266 (18) | 0.0139 (13) | 0.0301 (16) | −0.0012 (12) | −0.0037 (13) | −0.0024 (11) |
| C44 | 0.0233 (17) | 0.0208 (14) | 0.0240 (14) | −0.0021 (12) | −0.0015 (12) | −0.0041 (11) |
| C45 | 0.031 (2) | 0.0273 (16) | 0.0302 (16) | −0.0067 (14) | −0.0062 (14) | −0.0001 (13) |
| C46 | 0.047 (3) | 0.0303 (17) | 0.0357 (19) | −0.0045 (17) | −0.0087 (17) | 0.0049 (14) |
| C47 | 0.050 (3) | 0.039 (2) | 0.039 (2) | −0.0014 (18) | −0.0252 (19) | 0.0024 (16) |
| C48 | 0.033 (2) | 0.045 (2) | 0.055 (2) | −0.0071 (18) | −0.0221 (19) | −0.0046 (18) |
| C49 | 0.0277 (19) | 0.0277 (16) | 0.0384 (18) | −0.0057 (14) | −0.0072 (15) | −0.0021 (14) |
| C50 | 0.0185 (16) | 0.0218 (14) | 0.0205 (13) | −0.0026 (12) | −0.0019 (12) | −0.0011 (11) |
| C51 | 0.0190 (17) | 0.0313 (16) | 0.0311 (16) | −0.0063 (13) | 0.0048 (13) | −0.0090 (13) |
| C52 | 0.0239 (18) | 0.0298 (16) | 0.0333 (17) | −0.0120 (14) | 0.0016 (14) | −0.0055 (13) |
| C53 | 0.0293 (19) | 0.0239 (14) | 0.0199 (14) | −0.0069 (13) | −0.0014 (13) | −0.0008 (11) |
| C54 | 0.0250 (19) | 0.0377 (18) | 0.0259 (15) | −0.0096 (15) | 0.0064 (13) | −0.0089 (13) |
| C55 | 0.0208 (18) | 0.0334 (17) | 0.0293 (16) | −0.0099 (14) | 0.0028 (13) | −0.0050 (13) |
| C56 | 0.036 (2) | 0.0253 (15) | 0.0207 (14) | −0.0082 (14) | 0.0017 (13) | −0.0024 (12) |
| C57 | 0.042 (2) | 0.0356 (18) | 0.0314 (17) | −0.0098 (17) | −0.0068 (16) | −0.0040 (14) |
| C58 | 0.058 (3) | 0.039 (2) | 0.0324 (18) | −0.0136 (19) | −0.0132 (18) | −0.0045 (15) |
| C59 | 0.081 (3) | 0.0333 (19) | 0.0253 (17) | −0.022 (2) | −0.0015 (19) | −0.0067 (14) |
| C60 | 0.058 (3) | 0.0360 (19) | 0.0258 (17) | −0.0155 (19) | 0.0133 (17) | −0.0085 (14) |
| C61 | 0.040 (2) | 0.0327 (17) | 0.0325 (17) | −0.0123 (16) | 0.0098 (16) | −0.0065 (14) |
| C62 | 0.0246 (18) | 0.0205 (14) | 0.0233 (14) | −0.0050 (13) | 0.0027 (13) | −0.0017 (11) |
| C63 | 0.0204 (17) | 0.0232 (14) | 0.0258 (15) | −0.0040 (13) | −0.0025 (13) | −0.0007 (12) |
| C64 | 0.0205 (17) | 0.0211 (14) | 0.0224 (14) | −0.0076 (12) | 0.0029 (12) | 0.0034 (11) |
| C65 | 0.0173 (16) | 0.0223 (14) | 0.0214 (14) | −0.0031 (12) | 0.0046 (12) | 0.0004 (11) |
| C66 | 0.0183 (16) | 0.0256 (15) | 0.0266 (15) | −0.0067 (13) | 0.0043 (12) | −0.0058 (12) |
| C67 | 0.0162 (16) | 0.0255 (15) | 0.0262 (15) | −0.0022 (12) | 0.0049 (12) | −0.0032 (12) |
| C68 | 0.0181 (17) | 0.0275 (15) | 0.0271 (16) | −0.0030 (13) | 0.0030 (13) | −0.0034 (12) |
| C69 | 0.0234 (18) | 0.0246 (15) | 0.0302 (16) | −0.0040 (13) | 0.0029 (13) | −0.0049 (12) |
| C70 | 0.0225 (17) | 0.0181 (13) | 0.0270 (15) | −0.0023 (12) | 0.0012 (13) | −0.0011 (11) |
| Ru1—C63 | 1.892 (3) | C22—H22A | 0.9300 |
| Ru1—C64 | 1.930 (3) | C23—C24 | 1.385 (5) |
| Ru1—C62 | 1.944 (3) | C23—H23A | 0.9300 |
| Ru1—P1 | 2.3265 (8) | C24—C25 | 1.390 (5) |
| Ru1—Ru2 | 2.8389 (3) | C24—H24A | 0.9300 |
| Ru1—Ru3 | 2.8956 (4) | C25—H25A | 0.9300 |
| Ru2—C66 | 1.891 (3) | C26—C31 | 1.384 (4) |
| Ru2—C67 | 1.933 (3) | C26—C27 | 1.388 (5) |
| Ru2—C65 | 1.935 (3) | C27—C28 | 1.395 (4) |
| Ru2—P2 | 2.3345 (8) | C27—H27A | 0.9300 |
| Ru2—Ru3 | 2.8285 (3) | C28—C29 | 1.390 (4) |
| Ru3—C69 | 1.878 (3) | C28—H28A | 0.9300 |
| Ru3—C68 | 1.931 (3) | C29—C30 | 1.379 (5) |
| Ru3—C70 | 1.932 (3) | C29—C32 | 1.499 (4) |
| Ru3—As1 | 2.4612 (4) | C30—C31 | 1.397 (4) |
| As1—C38 | 1.940 (3) | C30—H30A | 0.9300 |
| As1—C50 | 1.952 (3) | C31—H31A | 0.9300 |
| As1—C26 | 1.959 (3) | C32—C33 | 1.365 (5) |
| P1—C1 | 1.826 (3) | C32—C37 | 1.378 (5) |
| P1—C7 | 1.843 (3) | C33—C34 | 1.402 (5) |
| P1—C13 | 1.858 (3) | C33—H33A | 0.9300 |
| P2—C20 | 1.823 (3) | C34—C35 | 1.348 (6) |
| P2—C14 | 1.835 (3) | C34—H34A | 0.9300 |
| P2—C13 | 1.843 (3) | C35—C36 | 1.370 (6) |
| O1—C62 | 1.139 (4) | C35—H35A | 0.9300 |
| O2—C63 | 1.150 (4) | C36—C37 | 1.391 (5) |
| O3—C64 | 1.149 (4) | C36—H36A | 0.9300 |
| O4—C65 | 1.142 (4) | C37—H37A | 0.9300 |
| O5—C66 | 1.146 (4) | C38—C43 | 1.393 (4) |
| O6—C67 | 1.138 (4) | C38—C39 | 1.393 (4) |
| O7—C68 | 1.149 (4) | C39—C40 | 1.378 (4) |
| O8—C69 | 1.145 (4) | C39—H39A | 0.9300 |
| O9—C70 | 1.136 (4) | C40—C41 | 1.391 (4) |
| C1—C2 | 1.377 (4) | C40—H40A | 0.9300 |
| C1—C6 | 1.401 (4) | C41—C42 | 1.403 (4) |
| C2—C3 | 1.400 (5) | C41—C44 | 1.479 (4) |
| C2—H2A | 0.9300 | C42—C43 | 1.380 (4) |
| C3—C4 | 1.364 (5) | C42—H42A | 0.9300 |
| C3—H3A | 0.9300 | C43—H43A | 0.9300 |
| C4—C5 | 1.371 (5) | C44—C49 | 1.390 (5) |
| C4—H4A | 0.9300 | C44—C45 | 1.394 (4) |
| C5—C6 | 1.375 (5) | C45—C46 | 1.385 (5) |
| C5—H5A | 0.9300 | C45—H45A | 0.9300 |
| C6—H6A | 0.9300 | C46—C47 | 1.381 (6) |
| C7—C8 | 1.395 (4) | C46—H46A | 0.9300 |
| C7—C12 | 1.397 (4) | C47—C48 | 1.370 (5) |
| C8—C9 | 1.385 (5) | C47—H47A | 0.9300 |
| C8—H8A | 0.9300 | C48—C49 | 1.382 (5) |
| C9—C10 | 1.374 (5) | C48—H48A | 0.9300 |
| C9—H9A | 0.9300 | C49—H49A | 0.9300 |
| C10—C11 | 1.385 (5) | C50—C51 | 1.389 (4) |
| C10—H10A | 0.9300 | C50—C55 | 1.394 (4) |
| C11—C12 | 1.381 (4) | C51—C52 | 1.374 (4) |
| C11—H11A | 0.9300 | C51—H51A | 0.9300 |
| C12—H12A | 0.9300 | C52—C53 | 1.384 (4) |
| C13—H13A | 0.9700 | C52—H52A | 0.9300 |
| C13—H13B | 0.9700 | C53—C54 | 1.408 (4) |
| C14—C19 | 1.380 (4) | C53—C56 | 1.485 (4) |
| C14—C15 | 1.401 (4) | C54—C55 | 1.377 (4) |
| C15—C16 | 1.394 (4) | C54—H54A | 0.9300 |
| C15—H15A | 0.9300 | C55—H55A | 0.9300 |
| C16—C17 | 1.373 (5) | C56—C57 | 1.381 (5) |
| C16—H16A | 0.9300 | C56—C61 | 1.399 (5) |
| C17—C18 | 1.391 (5) | C57—C58 | 1.386 (5) |
| C17—H17A | 0.9300 | C57—H57A | 0.9300 |
| C18—C19 | 1.394 (4) | C58—C59 | 1.365 (6) |
| C18—H18A | 0.9300 | C58—H58A | 0.9300 |
| C19—H19A | 0.9300 | C59—C60 | 1.365 (6) |
| C20—C21 | 1.389 (4) | C59—H59A | 0.9300 |
| C20—C25 | 1.400 (4) | C60—C61 | 1.390 (5) |
| C21—C22 | 1.389 (5) | C60—H60A | 0.9300 |
| C21—H21A | 0.9300 | C61—H61A | 0.9300 |
| C22—C23 | 1.380 (5) | ||
| C63—Ru1—C64 | 91.69 (13) | C23—C22—C21 | 119.6 (3) |
| C63—Ru1—C62 | 91.95 (13) | C23—C22—H22A | 120.2 |
| C64—Ru1—C62 | 169.84 (12) | C21—C22—H22A | 120.2 |
| C63—Ru1—P1 | 98.00 (9) | C22—C23—C24 | 120.6 (3) |
| C64—Ru1—P1 | 91.94 (9) | C22—C23—H23A | 119.7 |
| C62—Ru1—P1 | 96.94 (9) | C24—C23—H23A | 119.7 |
| C63—Ru1—Ru2 | 168.92 (9) | C23—C24—C25 | 119.5 (3) |
| C64—Ru1—Ru2 | 93.18 (8) | C23—C24—H24A | 120.3 |
| C62—Ru1—Ru2 | 81.66 (8) | C25—C24—H24A | 120.3 |
| P1—Ru1—Ru2 | 91.782 (19) | C24—C25—C20 | 120.9 (3) |
| C63—Ru1—Ru3 | 112.71 (9) | C24—C25—H25A | 119.5 |
| C64—Ru1—Ru3 | 76.03 (8) | C20—C25—H25A | 119.5 |
| C62—Ru1—Ru3 | 93.82 (9) | C31—C26—C27 | 118.9 (3) |
| P1—Ru1—Ru3 | 147.04 (2) | C31—C26—As1 | 119.3 (2) |
| Ru2—Ru1—Ru3 | 59.098 (8) | C27—C26—As1 | 121.9 (2) |
| C66—Ru2—C67 | 89.89 (13) | C26—C27—C28 | 120.7 (3) |
| C66—Ru2—C65 | 90.22 (12) | C26—C27—H27A | 119.7 |
| C67—Ru2—C65 | 173.34 (13) | C28—C27—H27A | 119.7 |
| C66—Ru2—P2 | 105.29 (10) | C29—C28—C27 | 120.5 (3) |
| C67—Ru2—P2 | 96.30 (10) | C29—C28—H28A | 119.8 |
| C65—Ru2—P2 | 90.10 (9) | C27—C28—H28A | 119.8 |
| C66—Ru2—Ru3 | 104.86 (10) | C30—C29—C28 | 118.5 (3) |
| C67—Ru2—Ru3 | 78.76 (9) | C30—C29—C32 | 122.0 (3) |
| C65—Ru2—Ru3 | 94.77 (9) | C28—C29—C32 | 119.5 (3) |
| P2—Ru2—Ru3 | 149.428 (19) | C29—C30—C31 | 121.4 (3) |
| C66—Ru2—Ru1 | 163.01 (10) | C29—C30—H30A | 119.3 |
| C67—Ru2—Ru1 | 96.62 (8) | C31—C30—H30A | 119.3 |
| C65—Ru2—Ru1 | 81.51 (8) | C26—C31—C30 | 120.1 (3) |
| P2—Ru2—Ru1 | 89.629 (19) | C26—C31—H31A | 119.9 |
| Ru3—Ru2—Ru1 | 61.450 (9) | C30—C31—H31A | 119.9 |
| C69—Ru3—C68 | 95.45 (13) | C33—C32—C37 | 117.5 (3) |
| C69—Ru3—C70 | 88.24 (13) | C33—C32—C29 | 122.5 (3) |
| C68—Ru3—C70 | 175.47 (12) | C37—C32—C29 | 120.0 (3) |
| C69—Ru3—As1 | 98.37 (10) | C32—C33—C34 | 121.4 (4) |
| C68—Ru3—As1 | 90.29 (9) | C32—C33—H33A | 119.3 |
| C70—Ru3—As1 | 91.77 (10) | C34—C33—H33A | 119.3 |
| C69—Ru3—Ru2 | 89.80 (10) | C35—C34—C33 | 120.6 (4) |
| C68—Ru3—Ru2 | 96.06 (9) | C35—C34—H34A | 119.7 |
| C70—Ru3—Ru2 | 81.31 (9) | C33—C34—H34A | 119.7 |
| As1—Ru3—Ru2 | 169.149 (12) | C34—C35—C36 | 118.8 (3) |
| C69—Ru3—Ru1 | 147.65 (10) | C34—C35—H35A | 120.6 |
| C68—Ru3—Ru1 | 79.45 (9) | C36—C35—H35A | 120.6 |
| C70—Ru3—Ru1 | 96.03 (8) | C35—C36—C37 | 120.7 (4) |
| As1—Ru3—Ru1 | 113.473 (11) | C35—C36—H36A | 119.6 |
| Ru2—Ru3—Ru1 | 59.452 (8) | C37—C36—H36A | 119.6 |
| C38—As1—C50 | 101.53 (12) | C32—C37—C36 | 120.9 (4) |
| C38—As1—C26 | 100.80 (13) | C32—C37—H37A | 119.5 |
| C50—As1—C26 | 101.54 (12) | C36—C37—H37A | 119.5 |
| C38—As1—Ru3 | 111.63 (9) | C43—C38—C39 | 118.8 (3) |
| C50—As1—Ru3 | 113.18 (9) | C43—C38—As1 | 120.2 (2) |
| C26—As1—Ru3 | 125.09 (9) | C39—C38—As1 | 120.9 (2) |
| C1—P1—C7 | 99.95 (13) | C40—C39—C38 | 120.4 (3) |
| C1—P1—C13 | 102.47 (13) | C40—C39—H39A | 119.8 |
| C7—P1—C13 | 102.02 (14) | C38—C39—H39A | 119.8 |
| C1—P1—Ru1 | 114.45 (10) | C39—C40—C41 | 121.3 (3) |
| C7—P1—Ru1 | 120.11 (10) | C39—C40—H40A | 119.3 |
| C13—P1—Ru1 | 115.25 (9) | C41—C40—H40A | 119.3 |
| C20—P2—C14 | 103.80 (14) | C40—C41—C42 | 118.0 (3) |
| C20—P2—C13 | 105.34 (13) | C40—C41—C44 | 121.5 (3) |
| C14—P2—C13 | 100.07 (12) | C42—C41—C44 | 120.5 (3) |
| C20—P2—Ru2 | 118.69 (10) | C43—C42—C41 | 120.8 (3) |
| C14—P2—Ru2 | 117.18 (10) | C43—C42—H42A | 119.6 |
| C13—P2—Ru2 | 109.61 (10) | C41—C42—H42A | 119.6 |
| C2—C1—C6 | 117.8 (3) | C42—C43—C38 | 120.6 (3) |
| C2—C1—P1 | 125.0 (2) | C42—C43—H43A | 119.7 |
| C6—C1—P1 | 117.2 (2) | C38—C43—H43A | 119.7 |
| C1—C2—C3 | 120.9 (3) | C49—C44—C45 | 118.5 (3) |
| C1—C2—H2A | 119.5 | C49—C44—C41 | 120.6 (3) |
| C3—C2—H2A | 119.5 | C45—C44—C41 | 121.0 (3) |
| C4—C3—C2 | 120.1 (3) | C46—C45—C44 | 120.7 (3) |
| C4—C3—H3A | 119.9 | C46—C45—H45A | 119.6 |
| C2—C3—H3A | 119.9 | C44—C45—H45A | 119.6 |
| C3—C4—C5 | 119.6 (3) | C47—C46—C45 | 119.7 (3) |
| C3—C4—H4A | 120.2 | C47—C46—H46A | 120.2 |
| C5—C4—H4A | 120.2 | C45—C46—H46A | 120.2 |
| C4—C5—C6 | 120.8 (3) | C48—C47—C46 | 120.1 (3) |
| C4—C5—H5A | 119.6 | C48—C47—H47A | 119.9 |
| C6—C5—H5A | 119.6 | C46—C47—H47A | 119.9 |
| C5—C6—C1 | 120.7 (3) | C47—C48—C49 | 120.5 (4) |
| C5—C6—H6A | 119.7 | C47—C48—H48A | 119.7 |
| C1—C6—H6A | 119.7 | C49—C48—H48A | 119.7 |
| C8—C7—C12 | 119.1 (3) | C48—C49—C44 | 120.4 (3) |
| C8—C7—P1 | 119.1 (2) | C48—C49—H49A | 119.8 |
| C12—C7—P1 | 121.8 (2) | C44—C49—H49A | 119.8 |
| C9—C8—C7 | 120.5 (3) | C51—C50—C55 | 118.2 (3) |
| C9—C8—H8A | 119.8 | C51—C50—As1 | 120.2 (2) |
| C7—C8—H8A | 119.8 | C55—C50—As1 | 121.7 (2) |
| C10—C9—C8 | 120.0 (3) | C52—C51—C50 | 120.9 (3) |
| C10—C9—H9A | 120.0 | C52—C51—H51A | 119.5 |
| C8—C9—H9A | 120.0 | C50—C51—H51A | 119.5 |
| C9—C10—C11 | 120.1 (3) | C51—C52—C53 | 121.7 (3) |
| C9—C10—H10A | 119.9 | C51—C52—H52A | 119.2 |
| C11—C10—H10A | 119.9 | C53—C52—H52A | 119.2 |
| C12—C11—C10 | 120.5 (3) | C52—C53—C54 | 117.4 (3) |
| C12—C11—H11A | 119.7 | C52—C53—C56 | 120.9 (3) |
| C10—C11—H11A | 119.7 | C54—C53—C56 | 121.7 (3) |
| C11—C12—C7 | 119.8 (3) | C55—C54—C53 | 121.0 (3) |
| C11—C12—H12A | 120.1 | C55—C54—H54A | 119.5 |
| C7—C12—H12A | 120.1 | C53—C54—H54A | 119.5 |
| P2—C13—P1 | 113.20 (14) | C54—C55—C50 | 120.7 (3) |
| P2—C13—H13A | 108.9 | C54—C55—H55A | 119.6 |
| P1—C13—H13A | 108.9 | C50—C55—H55A | 119.6 |
| P2—C13—H13B | 108.9 | C57—C56—C61 | 117.6 (3) |
| P1—C13—H13B | 108.9 | C57—C56—C53 | 120.8 (3) |
| H13A—C13—H13B | 107.8 | C61—C56—C53 | 121.6 (3) |
| C19—C14—C15 | 119.7 (3) | C56—C57—C58 | 122.1 (4) |
| C19—C14—P2 | 122.4 (2) | C56—C57—H57A | 118.9 |
| C15—C14—P2 | 117.9 (2) | C58—C57—H57A | 118.9 |
| C16—C15—C14 | 119.8 (3) | C59—C58—C57 | 119.3 (4) |
| C16—C15—H15A | 120.1 | C59—C58—H58A | 120.4 |
| C14—C15—H15A | 120.1 | C57—C58—H58A | 120.4 |
| C17—C16—C15 | 120.2 (3) | C58—C59—C60 | 120.2 (3) |
| C17—C16—H16A | 119.9 | C58—C59—H59A | 119.9 |
| C15—C16—H16A | 119.9 | C60—C59—H59A | 119.9 |
| C16—C17—C18 | 120.4 (3) | C59—C60—C61 | 120.9 (4) |
| C16—C17—H17A | 119.8 | C59—C60—H60A | 119.5 |
| C18—C17—H17A | 119.8 | C61—C60—H60A | 119.5 |
| C17—C18—C19 | 119.7 (3) | C60—C61—C56 | 119.9 (4) |
| C17—C18—H18A | 120.2 | C60—C61—H61A | 120.1 |
| C19—C18—H18A | 120.2 | C56—C61—H61A | 120.1 |
| C14—C19—C18 | 120.3 (3) | O1—C62—Ru1 | 175.3 (3) |
| C14—C19—H19A | 119.8 | O2—C63—Ru1 | 177.1 (3) |
| C18—C19—H19A | 119.8 | O3—C64—Ru1 | 173.2 (2) |
| C21—C20—C25 | 118.1 (3) | O4—C65—Ru2 | 174.2 (2) |
| C21—C20—P2 | 123.0 (2) | O5—C66—Ru2 | 177.4 (3) |
| C25—C20—P2 | 118.8 (2) | O6—C67—Ru2 | 173.4 (3) |
| C22—C21—C20 | 121.3 (3) | O7—C68—Ru3 | 172.4 (3) |
| C22—C21—H21A | 119.4 | O8—C69—Ru3 | 175.8 (3) |
| C20—C21—H21A | 119.4 | O9—C70—Ru3 | 173.6 (3) |
| C63—Ru1—Ru2—C66 | −82.9 (6) | C13—P1—C7—C8 | −59.8 (3) |
| C64—Ru1—Ru2—C66 | 33.1 (3) | Ru1—P1—C7—C8 | 171.3 (2) |
| C62—Ru1—Ru2—C66 | −138.1 (3) | C1—P1—C7—C12 | −137.9 (3) |
| P1—Ru1—Ru2—C66 | 125.1 (3) | C13—P1—C7—C12 | 116.9 (3) |
| Ru3—Ru1—Ru2—C66 | −38.6 (3) | Ru1—P1—C7—C12 | −12.0 (3) |
| C63—Ru1—Ru2—C67 | 29.0 (5) | C12—C7—C8—C9 | −1.4 (5) |
| C64—Ru1—Ru2—C67 | 144.98 (13) | P1—C7—C8—C9 | 175.4 (3) |
| C62—Ru1—Ru2—C67 | −26.22 (13) | C7—C8—C9—C10 | 0.7 (6) |
| P1—Ru1—Ru2—C67 | −122.98 (10) | C8—C9—C10—C11 | 0.6 (6) |
| Ru3—Ru1—Ru2—C67 | 73.35 (9) | C9—C10—C11—C12 | −1.1 (6) |
| C63—Ru1—Ru2—C65 | −144.5 (5) | C10—C11—C12—C7 | 0.4 (5) |
| C64—Ru1—Ru2—C65 | −28.56 (13) | C8—C7—C12—C11 | 0.9 (5) |
| C62—Ru1—Ru2—C65 | 160.23 (13) | P1—C7—C12—C11 | −175.8 (3) |
| P1—Ru1—Ru2—C65 | 63.47 (9) | C20—P2—C13—P1 | 82.02 (18) |
| Ru3—Ru1—Ru2—C65 | −100.20 (9) | C14—P2—C13—P1 | −170.52 (16) |
| C63—Ru1—Ru2—P2 | 125.3 (5) | Ru2—P2—C13—P1 | −46.75 (17) |
| C64—Ru1—Ru2—P2 | −118.72 (9) | C1—P1—C13—P2 | 145.82 (16) |
| C62—Ru1—Ru2—P2 | 70.08 (9) | C7—P1—C13—P2 | −111.01 (17) |
| P1—Ru1—Ru2—P2 | −26.68 (3) | Ru1—P1—C13—P2 | 20.87 (19) |
| Ru3—Ru1—Ru2—P2 | 169.65 (2) | C20—P2—C14—C19 | 13.1 (3) |
| C63—Ru1—Ru2—Ru3 | −44.3 (5) | C13—P2—C14—C19 | −95.6 (3) |
| C64—Ru1—Ru2—Ru3 | 71.63 (9) | Ru2—P2—C14—C19 | 146.1 (2) |
| C62—Ru1—Ru2—Ru3 | −99.57 (9) | C20—P2—C14—C15 | −168.8 (2) |
| P1—Ru1—Ru2—Ru3 | 163.67 (2) | C13—P2—C14—C15 | 82.6 (2) |
| C66—Ru2—Ru3—C69 | −21.45 (14) | Ru2—P2—C14—C15 | −35.8 (2) |
| C67—Ru2—Ru3—C69 | 65.41 (14) | C19—C14—C15—C16 | −0.3 (4) |
| C65—Ru2—Ru3—C69 | −112.95 (13) | P2—C14—C15—C16 | −178.5 (2) |
| P2—Ru2—Ru3—C69 | 148.73 (11) | C14—C15—C16—C17 | −0.5 (4) |
| Ru1—Ru2—Ru3—C69 | 169.41 (10) | C15—C16—C17—C18 | 1.1 (4) |
| C66—Ru2—Ru3—C68 | −116.92 (13) | C16—C17—C18—C19 | −0.8 (5) |
| C67—Ru2—Ru3—C68 | −30.05 (13) | C15—C14—C19—C18 | 0.6 (4) |
| C65—Ru2—Ru3—C68 | 151.58 (12) | P2—C14—C19—C18 | 178.6 (2) |
| P2—Ru2—Ru3—C68 | 53.27 (10) | C17—C18—C19—C14 | 0.0 (5) |
| Ru1—Ru2—Ru3—C68 | 73.95 (9) | C14—P2—C20—C21 | −102.9 (3) |
| C66—Ru2—Ru3—C70 | 66.79 (13) | C13—P2—C20—C21 | 1.8 (3) |
| C67—Ru2—Ru3—C70 | 153.66 (12) | Ru2—P2—C20—C21 | 124.9 (2) |
| C65—Ru2—Ru3—C70 | −24.71 (12) | C14—P2—C20—C25 | 77.4 (3) |
| P2—Ru2—Ru3—C70 | −123.02 (9) | C13—P2—C20—C25 | −177.9 (2) |
| Ru1—Ru2—Ru3—C70 | −102.34 (8) | Ru2—P2—C20—C25 | −54.7 (3) |
| C66—Ru2—Ru3—As1 | 117.60 (12) | C25—C20—C21—C22 | 1.3 (5) |
| C67—Ru2—Ru3—As1 | −155.54 (11) | P2—C20—C21—C22 | −178.4 (2) |
| C65—Ru2—Ru3—As1 | 26.10 (10) | C20—C21—C22—C23 | −0.6 (5) |
| P2—Ru2—Ru3—As1 | −72.22 (8) | C21—C22—C23—C24 | −0.2 (5) |
| Ru1—Ru2—Ru3—As1 | −51.54 (6) | C22—C23—C24—C25 | 0.2 (5) |
| C66—Ru2—Ru3—Ru1 | 169.13 (10) | C23—C24—C25—C20 | 0.5 (5) |
| C67—Ru2—Ru3—Ru1 | −104.00 (9) | C21—C20—C25—C24 | −1.2 (5) |
| C65—Ru2—Ru3—Ru1 | 77.63 (8) | P2—C20—C25—C24 | 178.4 (2) |
| P2—Ru2—Ru3—Ru1 | −20.68 (4) | C38—As1—C26—C31 | 167.7 (2) |
| C63—Ru1—Ru3—C69 | 151.5 (2) | C50—As1—C26—C31 | −88.0 (3) |
| C64—Ru1—Ru3—C69 | −122.5 (2) | Ru3—As1—C26—C31 | 41.4 (3) |
| C62—Ru1—Ru3—C69 | 57.8 (2) | C38—As1—C26—C27 | −11.8 (3) |
| P1—Ru1—Ru3—C69 | −51.18 (19) | C50—As1—C26—C27 | 92.4 (3) |
| Ru2—Ru1—Ru3—C69 | −20.08 (19) | Ru3—As1—C26—C27 | −138.2 (2) |
| C63—Ru1—Ru3—C68 | 68.06 (14) | C31—C26—C27—C28 | −0.6 (5) |
| C64—Ru1—Ru3—C68 | 153.99 (13) | As1—C26—C27—C28 | 179.0 (2) |
| C62—Ru1—Ru3—C68 | −25.66 (13) | C26—C27—C28—C29 | −0.6 (5) |
| P1—Ru1—Ru3—C68 | −134.66 (10) | C27—C28—C29—C30 | 1.4 (5) |
| Ru2—Ru1—Ru3—C68 | −103.57 (9) | C27—C28—C29—C32 | −177.3 (3) |
| C63—Ru1—Ru3—C70 | −112.19 (14) | C28—C29—C30—C31 | −1.0 (5) |
| C64—Ru1—Ru3—C70 | −26.27 (13) | C32—C29—C30—C31 | 177.7 (3) |
| C62—Ru1—Ru3—C70 | 154.09 (13) | C27—C26—C31—C30 | 1.0 (5) |
| P1—Ru1—Ru3—C70 | 45.08 (10) | As1—C26—C31—C30 | −178.6 (2) |
| Ru2—Ru1—Ru3—C70 | 76.18 (9) | C29—C30—C31—C26 | −0.2 (5) |
| C63—Ru1—Ru3—As1 | −17.62 (10) | C30—C29—C32—C33 | 130.4 (4) |
| C64—Ru1—Ru3—As1 | 68.30 (9) | C28—C29—C32—C33 | −50.9 (5) |
| C62—Ru1—Ru3—As1 | −111.34 (9) | C30—C29—C32—C37 | −50.5 (5) |
| P1—Ru1—Ru3—As1 | 139.66 (4) | C28—C29—C32—C37 | 128.2 (4) |
| Ru2—Ru1—Ru3—As1 | 170.752 (14) | C37—C32—C33—C34 | 1.0 (6) |
| C63—Ru1—Ru3—Ru2 | 171.63 (10) | C29—C32—C33—C34 | −179.9 (4) |
| C64—Ru1—Ru3—Ru2 | −102.45 (9) | C32—C33—C34—C35 | −0.3 (7) |
| C62—Ru1—Ru3—Ru2 | 77.91 (9) | C33—C34—C35—C36 | −1.8 (7) |
| P1—Ru1—Ru3—Ru2 | −31.10 (4) | C34—C35—C36—C37 | 3.2 (7) |
| C69—Ru3—As1—C38 | 65.82 (13) | C33—C32—C37—C36 | 0.4 (6) |
| C68—Ru3—As1—C38 | 161.38 (12) | C29—C32—C37—C36 | −178.7 (4) |
| C70—Ru3—As1—C38 | −22.65 (12) | C35—C36—C37—C32 | −2.6 (7) |
| Ru2—Ru3—As1—C38 | −72.69 (11) | C50—As1—C38—C43 | −165.2 (2) |
| Ru1—Ru3—As1—C38 | −120.01 (9) | C26—As1—C38—C43 | −60.9 (3) |
| C69—Ru3—As1—C50 | −47.98 (14) | Ru3—As1—C38—C43 | 74.0 (2) |
| C68—Ru3—As1—C50 | 47.57 (13) | C50—As1—C38—C39 | 19.8 (3) |
| C70—Ru3—As1—C50 | −136.46 (12) | C26—As1—C38—C39 | 124.1 (3) |
| Ru2—Ru3—As1—C50 | 173.50 (11) | Ru3—As1—C38—C39 | −101.0 (2) |
| Ru1—Ru3—As1—C50 | 126.18 (9) | C43—C38—C39—C40 | −1.3 (5) |
| C69—Ru3—As1—C26 | −172.52 (15) | As1—C38—C39—C40 | 173.8 (2) |
| C68—Ru3—As1—C26 | −76.96 (14) | C38—C39—C40—C41 | 1.4 (5) |
| C70—Ru3—As1—C26 | 99.00 (14) | C39—C40—C41—C42 | 0.2 (5) |
| Ru2—Ru3—As1—C26 | 48.97 (13) | C39—C40—C41—C44 | 179.9 (3) |
| Ru1—Ru3—As1—C26 | 1.65 (11) | C40—C41—C42—C43 | −1.9 (5) |
| C63—Ru1—P1—C1 | 75.39 (14) | C44—C41—C42—C43 | 178.4 (3) |
| C64—Ru1—P1—C1 | −16.59 (13) | C41—C42—C43—C38 | 2.0 (5) |
| C62—Ru1—P1—C1 | 168.35 (13) | C39—C38—C43—C42 | −0.4 (5) |
| Ru2—Ru1—P1—C1 | −109.84 (10) | As1—C38—C43—C42 | −175.5 (2) |
| Ru3—Ru1—P1—C1 | −83.52 (11) | C40—C41—C44—C49 | −137.7 (3) |
| C63—Ru1—P1—C7 | −43.49 (15) | C42—C41—C44—C49 | 42.1 (4) |
| C64—Ru1—P1—C7 | −135.47 (14) | C40—C41—C44—C45 | 42.8 (4) |
| C62—Ru1—P1—C7 | 49.47 (14) | C42—C41—C44—C45 | −137.5 (3) |
| Ru2—Ru1—P1—C7 | 131.28 (11) | C49—C44—C45—C46 | −0.7 (5) |
| Ru3—Ru1—P1—C7 | 157.60 (11) | C41—C44—C45—C46 | 178.9 (3) |
| C63—Ru1—P1—C13 | −166.15 (15) | C44—C45—C46—C47 | 0.0 (6) |
| C64—Ru1—P1—C13 | 101.87 (13) | C45—C46—C47—C48 | 1.1 (6) |
| C62—Ru1—P1—C13 | −73.19 (14) | C46—C47—C48—C49 | −1.5 (6) |
| Ru2—Ru1—P1—C13 | 8.63 (11) | C47—C48—C49—C44 | 0.8 (6) |
| Ru3—Ru1—P1—C13 | 34.95 (12) | C45—C44—C49—C48 | 0.3 (5) |
| C66—Ru2—P2—C20 | 110.86 (14) | C41—C44—C49—C48 | −179.2 (3) |
| C67—Ru2—P2—C20 | 19.24 (14) | C38—As1—C50—C51 | −105.5 (3) |
| C65—Ru2—P2—C20 | −158.89 (13) | C26—As1—C50—C51 | 150.8 (3) |
| Ru3—Ru2—P2—C20 | −59.31 (12) | Ru3—As1—C50—C51 | 14.3 (3) |
| Ru1—Ru2—P2—C20 | −77.38 (11) | C38—As1—C50—C55 | 73.7 (3) |
| C66—Ru2—P2—C14 | −15.08 (15) | C26—As1—C50—C55 | −30.0 (3) |
| C67—Ru2—P2—C14 | −106.69 (14) | Ru3—As1—C50—C55 | −166.6 (2) |
| C65—Ru2—P2—C14 | 75.18 (13) | C55—C50—C51—C52 | 2.3 (5) |
| Ru3—Ru2—P2—C14 | 174.76 (10) | As1—C50—C51—C52 | −178.5 (3) |
| Ru1—Ru2—P2—C14 | 156.68 (11) | C50—C51—C52—C53 | 0.8 (5) |
| C66—Ru2—P2—C13 | −128.13 (14) | C51—C52—C53—C54 | −3.7 (5) |
| C67—Ru2—P2—C13 | 140.25 (13) | C51—C52—C53—C56 | 174.6 (3) |
| C65—Ru2—P2—C13 | −37.88 (12) | C52—C53—C54—C55 | 3.4 (5) |
| Ru3—Ru2—P2—C13 | 61.70 (11) | C56—C53—C54—C55 | −174.9 (3) |
| Ru1—Ru2—P2—C13 | 43.63 (10) | C53—C54—C55—C50 | −0.4 (5) |
| C7—P1—C1—C2 | −110.8 (3) | C51—C50—C55—C54 | −2.6 (5) |
| C13—P1—C1—C2 | −6.0 (3) | As1—C50—C55—C54 | 178.3 (3) |
| Ru1—P1—C1—C2 | 119.5 (3) | C52—C53—C56—C57 | −25.7 (5) |
| C7—P1—C1—C6 | 70.9 (3) | C54—C53—C56—C57 | 152.6 (3) |
| C13—P1—C1—C6 | 175.7 (3) | C52—C53—C56—C61 | 153.6 (3) |
| Ru1—P1—C1—C6 | −58.8 (3) | C54—C53—C56—C61 | −28.2 (5) |
| C6—C1—C2—C3 | −1.8 (5) | C61—C56—C57—C58 | 0.3 (5) |
| P1—C1—C2—C3 | 179.9 (3) | C53—C56—C57—C58 | 179.6 (3) |
| C1—C2—C3—C4 | −0.7 (6) | C56—C57—C58—C59 | 0.8 (5) |
| C2—C3—C4—C5 | 2.7 (6) | C57—C58—C59—C60 | −1.1 (5) |
| C3—C4—C5—C6 | −2.1 (6) | C58—C59—C60—C61 | 0.3 (5) |
| C4—C5—C6—C1 | −0.4 (6) | C59—C60—C61—C56 | 0.8 (5) |
| C2—C1—C6—C5 | 2.4 (5) | C57—C56—C61—C60 | −1.1 (5) |
| P1—C1—C6—C5 | −179.2 (3) | C53—C56—C61—C60 | 179.6 (3) |
| C1—P1—C7—C8 | 45.4 (3) |
| Cg1 and Cg2 are the centroids of the C7–C12 and C26–C31 benzene rings, respectively. |
| H··· | ||||
| C46—H46A···O9i | 0.93 | 2.56 | 3.249 (4) | 131 |
| C21—H21A···Cg1 | 0.93 | 2.95 | 3.707 (4) | 139 |
| C24—H24A···Cg2ii | 0.93 | 2.92 | 3.582 (4) | 129 |
Hydrogen-bond geometry (Å, °)
Cg1 and Cg2 are the centroids of the C7–C12 and C26–C31 benzene rings, respectively.
| H⋯ | ||||
|---|---|---|---|---|
| C46—H46 | 0.93 | 2.56 | 3.249 (4) | 131 |
| C21—H21 | 0.93 | 2.95 | 3.707 (4) | 139 |
| C24—H24 | 0.93 | 2.92 | 3.582 (4) | 129 |
Symmetry codes: (i) ; (ii) .