| Literature DB >> 21522877 |
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(25)H(22)As(2))(C(36)H(27)As)(CO)(9)], the bis-(diphenyl-arsan-yl)methane ligand bridges an Ru-Ru bond and the monodentate arsine ligand bonds to the third Ru atom. Both arsine ligands are equatorial with respect to the Ru(3) triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The phenyl rings of biphenyl are twisted from each other by dihedral angles of 50.5 (2), 44.5 (2) and 27.8 (2)°. The arsine-substituted phenyl rings make dihedral angles of 61.56 (18), 89.36 (18) and 83.27 (18)° with each other. The dihedral angles between the two benzene rings are 87.5 (2) and 81.95 (19)° for the two diphenyl-arsanyl groups. 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 = 3.601 (3) Å] inter-actions stabilize the crystal structure.Entities:
Year: 2011 PMID: 21522877 PMCID: PMC3051569 DOI: 10.1107/S1600536811000237
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Ru3(C25H22As2)(C36H27As)(CO)9] | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 9876 reflections | |
| θ = 2.3–30.5° | |
| µ = 2.44 mm−1 | |
| α = 81.249 (7)° | |
| β = 82.529 (7)° | Plate, brown |
| γ = 79.301 (7)° | 0.47 × 0.28 × 0.04 mm |
| Bruker APEXII DUO CCD area-detector diffractometer | 17294 independent reflections |
| Radiation source: fine-focus sealed tube | 13951 reflections with |
| graphite | |
| φ and ω scans | θmax = 30.0°, θmin = 1.7° |
| Absorption correction: multi-scan ( | |
| 60960 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 | |
| 17294 reflections | (Δ/σ)max = 0.002 |
| 766 parameters | Δρmax = 1.42 e Å−3 |
| 0 restraints | Δρmin = −0.69 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 | 0.44108 (2) | 0.92843 (2) | 0.253548 (12) | 0.02048 (6) | |
| Ru2 | 0.58866 (2) | 1.04717 (2) | 0.162270 (12) | 0.01983 (6) | |
| Ru3 | 0.38188 (2) | 1.15999 (2) | 0.228422 (12) | 0.02075 (6) | |
| As1 | 0.52503 (3) | 0.75926 (3) | 0.213296 (15) | 0.02132 (8) | |
| As2 | 0.74808 (3) | 0.88704 (3) | 0.152447 (15) | 0.02072 (8) | |
| As3 | 0.17838 (3) | 1.23444 (3) | 0.280517 (15) | 0.02213 (8) | |
| O1 | 0.6586 (3) | 0.9230 (2) | 0.32959 (13) | 0.0382 (6) | |
| O2 | 0.2911 (3) | 0.8313 (3) | 0.36551 (14) | 0.0465 (8) | |
| O3 | 0.2142 (3) | 0.9602 (2) | 0.18087 (13) | 0.0366 (6) | |
| O4 | 0.4396 (3) | 0.9664 (2) | 0.07621 (13) | 0.0350 (6) | |
| O5 | 0.6568 (3) | 1.2174 (2) | 0.05907 (15) | 0.0463 (8) | |
| O6 | 0.7302 (3) | 1.1421 (2) | 0.24529 (14) | 0.0388 (6) | |
| O7 | 0.5028 (3) | 1.1435 (3) | 0.34625 (13) | 0.0397 (7) | |
| O8 | 0.4739 (3) | 1.3675 (2) | 0.17452 (15) | 0.0472 (8) | |
| O9 | 0.2656 (3) | 1.1786 (2) | 0.10916 (13) | 0.0378 (6) | |
| C1 | 0.4086 (3) | 0.7024 (3) | 0.17372 (17) | 0.0268 (7) | |
| C2 | 0.4295 (5) | 0.6828 (4) | 0.1139 (2) | 0.0499 (12) | |
| H2A | 0.5020 | 0.6982 | 0.0901 | 0.060* | |
| C3 | 0.3410 (5) | 0.6398 (5) | 0.0895 (2) | 0.0567 (14) | |
| H3A | 0.3552 | 0.6266 | 0.0493 | 0.068* | |
| C4 | 0.2339 (4) | 0.6168 (4) | 0.1237 (2) | 0.0466 (11) | |
| H4A | 0.1776 | 0.5849 | 0.1077 | 0.056* | |
| C5 | 0.2104 (4) | 0.6412 (4) | 0.1816 (2) | 0.0449 (10) | |
| H5A | 0.1356 | 0.6292 | 0.2044 | 0.054* | |
| C6 | 0.2976 (4) | 0.6839 (4) | 0.2071 (2) | 0.0400 (9) | |
| H6A | 0.2806 | 0.7000 | 0.2467 | 0.048* | |
| C7 | 0.5880 (3) | 0.6296 (3) | 0.26612 (16) | 0.0277 (7) | |
| C8 | 0.6187 (4) | 0.5314 (3) | 0.24233 (19) | 0.0366 (9) | |
| H8A | 0.6033 | 0.5275 | 0.2030 | 0.044* | |
| C9 | 0.6727 (5) | 0.4394 (4) | 0.2783 (2) | 0.0502 (12) | |
| H9A | 0.6923 | 0.3735 | 0.2631 | 0.060* | |
| C10 | 0.6972 (5) | 0.4458 (4) | 0.3358 (2) | 0.0503 (12) | |
| H10A | 0.7359 | 0.3845 | 0.3588 | 0.060* | |
| C11 | 0.6650 (4) | 0.5422 (4) | 0.3601 (2) | 0.0447 (10) | |
| H11A | 0.6803 | 0.5451 | 0.3995 | 0.054* | |
| C12 | 0.6096 (4) | 0.6349 (3) | 0.32528 (18) | 0.0347 (8) | |
| H12A | 0.5873 | 0.6999 | 0.3414 | 0.042* | |
| C13 | 0.6673 (3) | 0.7630 (3) | 0.14990 (15) | 0.0237 (6) | |
| H13A | 0.7276 | 0.6969 | 0.1559 | 0.028* | |
| H13B | 0.6377 | 0.7679 | 0.1105 | 0.028* | |
| C14 | 0.8584 (3) | 0.8817 (3) | 0.07756 (15) | 0.0239 (6) | |
| C15 | 0.8105 (4) | 0.9325 (3) | 0.02406 (17) | 0.0310 (7) | |
| H15A | 0.7281 | 0.9688 | 0.0250 | 0.037* | |
| C16 | 0.8856 (4) | 0.9291 (3) | −0.03056 (18) | 0.0371 (9) | |
| H16A | 0.8530 | 0.9622 | −0.0663 | 0.045* | |
| C17 | 1.0080 (4) | 0.8770 (3) | −0.03219 (18) | 0.0377 (9) | |
| H17A | 1.0588 | 0.8767 | −0.0688 | 0.045* | |
| C18 | 1.0558 (4) | 0.8247 (4) | 0.0211 (2) | 0.0398 (9) | |
| H18A | 1.1378 | 0.7876 | 0.0198 | 0.048* | |
| C19 | 0.9814 (4) | 0.8277 (3) | 0.07604 (18) | 0.0321 (8) | |
| H19A | 1.0139 | 0.7937 | 0.1117 | 0.038* | |
| C20 | 0.8598 (3) | 0.8366 (3) | 0.21505 (16) | 0.0256 (7) | |
| C21 | 0.8693 (3) | 0.7338 (3) | 0.24714 (17) | 0.0309 (8) | |
| H21A | 0.8235 | 0.6851 | 0.2374 | 0.037* | |
| C22 | 0.9464 (4) | 0.7020 (4) | 0.2938 (2) | 0.0410 (10) | |
| H22A | 0.9511 | 0.6330 | 0.3153 | 0.049* | |
| C23 | 1.0157 (4) | 0.7734 (4) | 0.30801 (19) | 0.0432 (10) | |
| H23A | 1.0677 | 0.7520 | 0.3389 | 0.052* | |
| C24 | 1.0083 (4) | 0.8766 (4) | 0.27672 (19) | 0.0373 (9) | |
| H24A | 1.0548 | 0.9247 | 0.2866 | 0.045* | |
| C25 | 0.9305 (3) | 0.9079 (3) | 0.23013 (17) | 0.0307 (7) | |
| H25A | 0.9258 | 0.9771 | 0.2089 | 0.037* | |
| C26 | 0.0669 (3) | 1.1485 (3) | 0.33440 (15) | 0.0248 (6) | |
| C27 | −0.0622 (3) | 1.1680 (3) | 0.33075 (17) | 0.0299 (7) | |
| H27A | −0.0972 | 1.2234 | 0.3028 | 0.036* | |
| C28 | −0.1389 (3) | 1.1042 (3) | 0.36908 (17) | 0.0316 (8) | |
| H28A | −0.2250 | 1.1181 | 0.3666 | 0.038* | |
| C29 | −0.0885 (4) | 1.0199 (3) | 0.41117 (17) | 0.0299 (7) | |
| C30 | 0.0399 (4) | 1.0030 (3) | 0.41462 (17) | 0.0334 (8) | |
| H30A | 0.0754 | 0.9479 | 0.4427 | 0.040* | |
| C31 | 0.1174 (3) | 1.0674 (3) | 0.37662 (17) | 0.0307 (7) | |
| H31A | 0.2032 | 1.0552 | 0.3800 | 0.037* | |
| C32 | −0.1709 (4) | 0.9485 (3) | 0.44922 (17) | 0.0324 (8) | |
| C33 | −0.2813 (5) | 0.9903 (4) | 0.4816 (3) | 0.0561 (13) | |
| H33A | −0.3067 | 1.0647 | 0.4792 | 0.067* | |
| C34 | −0.3548 (5) | 0.9212 (5) | 0.5179 (3) | 0.0611 (15) | |
| H34A | −0.4274 | 0.9508 | 0.5403 | 0.073* | |
| C35 | −0.3238 (5) | 0.8134 (4) | 0.5214 (2) | 0.0501 (12) | |
| H35A | −0.3732 | 0.7682 | 0.5459 | 0.060* | |
| C36 | −0.2184 (6) | 0.7728 (5) | 0.4880 (3) | 0.0623 (15) | |
| H36A | −0.1971 | 0.6984 | 0.4883 | 0.075* | |
| C37 | −0.1404 (5) | 0.8397 (4) | 0.4530 (2) | 0.0526 (12) | |
| H37A | −0.0664 | 0.8089 | 0.4321 | 0.063* | |
| C38 | 0.0643 (3) | 1.3146 (3) | 0.22350 (15) | 0.0230 (6) | |
| C39 | 0.0431 (4) | 1.4272 (3) | 0.21494 (17) | 0.0304 (7) | |
| H39A | 0.0771 | 1.4646 | 0.2394 | 0.037* | |
| C40 | −0.0284 (4) | 1.4832 (3) | 0.16998 (18) | 0.0310 (8) | |
| H40A | −0.0401 | 1.5582 | 0.1640 | 0.037* | |
| C41 | −0.0831 (3) | 1.4297 (3) | 0.13365 (15) | 0.0239 (6) | |
| C42 | −0.0652 (3) | 1.3168 (3) | 0.14421 (17) | 0.0289 (7) | |
| H42A | −0.1038 | 1.2794 | 0.1215 | 0.035* | |
| C43 | 0.0087 (4) | 1.2601 (3) | 0.18766 (18) | 0.0305 (8) | |
| H43A | 0.0216 | 1.1850 | 0.1932 | 0.037* | |
| C44 | −0.1594 (3) | 1.4909 (3) | 0.08523 (16) | 0.0266 (7) | |
| C45 | −0.1195 (4) | 1.5767 (3) | 0.04707 (18) | 0.0338 (8) | |
| H45A | −0.0443 | 1.5975 | 0.0518 | 0.041* | |
| C46 | −0.1915 (5) | 1.6325 (4) | 0.0014 (2) | 0.0428 (10) | |
| H46A | −0.1636 | 1.6897 | −0.0244 | 0.051* | |
| C47 | −0.3028 (5) | 1.6033 (4) | −0.0056 (2) | 0.0534 (13) | |
| H47A | −0.3506 | 1.6404 | −0.0360 | 0.064* | |
| C48 | −0.3434 (5) | 1.5187 (4) | 0.0328 (3) | 0.0533 (13) | |
| H48A | −0.4197 | 1.4996 | 0.0284 | 0.064* | |
| C49 | −0.2732 (4) | 1.4616 (3) | 0.0778 (2) | 0.0391 (9) | |
| H49A | −0.3015 | 1.4039 | 0.1031 | 0.047* | |
| C50 | 0.1902 (3) | 1.3444 (3) | 0.33046 (15) | 0.0244 (6) | |
| C51 | 0.2992 (4) | 1.3906 (3) | 0.32320 (18) | 0.0342 (8) | |
| H51A | 0.3643 | 1.3696 | 0.2941 | 0.041* | |
| C52 | 0.3108 (4) | 1.4671 (3) | 0.35882 (19) | 0.0358 (8) | |
| H52A | 0.3833 | 1.4976 | 0.3529 | 0.043* | |
| C53 | 0.2168 (4) | 1.4990 (3) | 0.40307 (16) | 0.0291 (7) | |
| C54 | 0.1066 (4) | 1.4555 (3) | 0.40865 (18) | 0.0353 (8) | |
| H54A | 0.0407 | 1.4779 | 0.4371 | 0.042* | |
| C55 | 0.0933 (3) | 1.3797 (3) | 0.37274 (17) | 0.0316 (8) | |
| H55A | 0.0188 | 1.3523 | 0.3771 | 0.038* | |
| C56 | 0.2369 (4) | 1.5752 (3) | 0.44435 (17) | 0.0329 (8) | |
| C57 | 0.3567 (5) | 1.5793 (4) | 0.4567 (2) | 0.0455 (10) | |
| H57A | 0.4246 | 1.5339 | 0.4395 | 0.055* | |
| C58 | 0.3779 (6) | 1.6496 (4) | 0.4943 (2) | 0.0534 (12) | |
| H58A | 0.4590 | 1.6527 | 0.5016 | 0.064* | |
| C59 | 0.2764 (6) | 1.7149 (4) | 0.5207 (2) | 0.0539 (13) | |
| H59A | 0.2890 | 1.7613 | 0.5468 | 0.065* | |
| C60 | 0.1583 (5) | 1.7119 (4) | 0.5088 (2) | 0.0499 (12) | |
| H60A | 0.0907 | 1.7568 | 0.5266 | 0.060* | |
| C61 | 0.1370 (5) | 1.6429 (4) | 0.47056 (19) | 0.0427 (10) | |
| H61A | 0.0557 | 1.6421 | 0.4625 | 0.051* | |
| C62 | 0.5804 (3) | 0.9277 (3) | 0.29955 (16) | 0.0286 (7) | |
| C63 | 0.3458 (3) | 0.8713 (3) | 0.32332 (16) | 0.0284 (7) | |
| C64 | 0.3000 (3) | 0.9552 (3) | 0.20652 (17) | 0.0286 (7) | |
| C65 | 0.4889 (3) | 0.9957 (3) | 0.11083 (16) | 0.0258 (7) | |
| C66 | 0.6345 (3) | 1.1527 (3) | 0.09834 (17) | 0.0285 (7) | |
| C67 | 0.6740 (3) | 1.1038 (3) | 0.21704 (17) | 0.0275 (7) | |
| C68 | 0.4604 (3) | 1.1420 (3) | 0.30290 (17) | 0.0309 (8) | |
| C69 | 0.4351 (4) | 1.2911 (3) | 0.19623 (17) | 0.0307 (7) | |
| C70 | 0.3104 (3) | 1.1650 (3) | 0.15364 (17) | 0.0273 (7) |
| Ru1 | 0.01976 (12) | 0.01985 (12) | 0.02011 (13) | −0.00340 (9) | 0.00132 (9) | −0.00005 (9) |
| Ru2 | 0.01677 (12) | 0.01950 (12) | 0.02216 (13) | −0.00391 (8) | 0.00082 (9) | −0.00080 (9) |
| Ru3 | 0.01889 (12) | 0.01950 (12) | 0.02233 (13) | −0.00209 (9) | 0.00005 (9) | −0.00126 (9) |
| As1 | 0.02062 (16) | 0.01881 (15) | 0.02345 (17) | −0.00429 (11) | −0.00019 (12) | −0.00001 (12) |
| As2 | 0.01733 (15) | 0.02129 (16) | 0.02243 (16) | −0.00327 (11) | 0.00087 (11) | −0.00194 (12) |
| As3 | 0.02003 (16) | 0.02089 (16) | 0.02465 (17) | −0.00300 (11) | −0.00142 (12) | −0.00176 (13) |
| O1 | 0.0354 (15) | 0.0456 (17) | 0.0347 (15) | −0.0059 (12) | −0.0110 (12) | −0.0038 (13) |
| O2 | 0.0426 (17) | 0.0522 (19) | 0.0364 (16) | −0.0097 (14) | 0.0092 (13) | 0.0106 (14) |
| O3 | 0.0291 (14) | 0.0372 (15) | 0.0431 (16) | −0.0121 (11) | −0.0083 (11) | 0.0078 (12) |
| O4 | 0.0311 (14) | 0.0424 (16) | 0.0343 (15) | −0.0107 (11) | −0.0059 (11) | −0.0066 (12) |
| O5 | 0.056 (2) | 0.0318 (15) | 0.0450 (18) | −0.0122 (13) | 0.0121 (14) | 0.0067 (13) |
| O6 | 0.0316 (15) | 0.0457 (17) | 0.0443 (17) | −0.0117 (12) | −0.0043 (12) | −0.0152 (13) |
| O7 | 0.0318 (14) | 0.0539 (18) | 0.0347 (15) | 0.0011 (12) | −0.0077 (11) | −0.0166 (13) |
| O8 | 0.0529 (19) | 0.0315 (15) | 0.056 (2) | −0.0196 (13) | 0.0132 (15) | −0.0029 (14) |
| O9 | 0.0440 (16) | 0.0357 (15) | 0.0319 (15) | 0.0008 (12) | −0.0127 (12) | −0.0006 (12) |
| C1 | 0.0234 (16) | 0.0224 (16) | 0.0353 (19) | −0.0054 (12) | −0.0047 (13) | −0.0030 (14) |
| C2 | 0.051 (3) | 0.073 (3) | 0.036 (2) | −0.040 (2) | 0.0019 (19) | −0.008 (2) |
| C3 | 0.054 (3) | 0.083 (4) | 0.045 (3) | −0.034 (3) | −0.010 (2) | −0.016 (3) |
| C4 | 0.036 (2) | 0.044 (2) | 0.067 (3) | −0.0111 (18) | −0.019 (2) | −0.015 (2) |
| C5 | 0.029 (2) | 0.048 (3) | 0.061 (3) | −0.0174 (17) | 0.0042 (18) | −0.011 (2) |
| C6 | 0.034 (2) | 0.045 (2) | 0.043 (2) | −0.0143 (17) | 0.0057 (17) | −0.0125 (19) |
| C7 | 0.0248 (16) | 0.0247 (16) | 0.0299 (18) | −0.0036 (12) | −0.0008 (13) | 0.0049 (14) |
| C8 | 0.042 (2) | 0.0248 (18) | 0.036 (2) | 0.0019 (15) | 0.0050 (16) | −0.0003 (15) |
| C9 | 0.059 (3) | 0.028 (2) | 0.053 (3) | 0.0093 (19) | 0.000 (2) | 0.0007 (19) |
| C10 | 0.049 (3) | 0.043 (2) | 0.044 (3) | 0.012 (2) | −0.001 (2) | 0.014 (2) |
| C11 | 0.046 (2) | 0.050 (3) | 0.031 (2) | −0.0034 (19) | −0.0022 (17) | 0.0101 (18) |
| C12 | 0.0329 (19) | 0.037 (2) | 0.0297 (19) | −0.0032 (15) | 0.0015 (14) | 0.0031 (16) |
| C13 | 0.0237 (15) | 0.0227 (15) | 0.0247 (16) | −0.0045 (12) | 0.0011 (12) | −0.0055 (12) |
| C14 | 0.0225 (15) | 0.0242 (16) | 0.0246 (16) | −0.0068 (12) | 0.0052 (12) | −0.0046 (13) |
| C15 | 0.0316 (19) | 0.0348 (19) | 0.0291 (18) | −0.0110 (14) | −0.0010 (14) | −0.0073 (15) |
| C16 | 0.047 (2) | 0.043 (2) | 0.0264 (19) | −0.0182 (18) | −0.0014 (16) | −0.0081 (16) |
| C17 | 0.047 (2) | 0.038 (2) | 0.0292 (19) | −0.0172 (17) | 0.0161 (16) | −0.0128 (16) |
| C18 | 0.034 (2) | 0.040 (2) | 0.041 (2) | −0.0014 (16) | 0.0132 (16) | −0.0107 (18) |
| C19 | 0.0274 (18) | 0.0303 (18) | 0.035 (2) | −0.0027 (14) | 0.0055 (14) | −0.0030 (15) |
| C20 | 0.0176 (14) | 0.0336 (18) | 0.0244 (16) | −0.0009 (12) | 0.0013 (11) | −0.0067 (14) |
| C21 | 0.0259 (17) | 0.0339 (19) | 0.0300 (18) | 0.0008 (14) | −0.0012 (13) | −0.0032 (15) |
| C22 | 0.036 (2) | 0.045 (2) | 0.037 (2) | 0.0000 (17) | −0.0081 (16) | 0.0065 (18) |
| C23 | 0.030 (2) | 0.066 (3) | 0.029 (2) | −0.0014 (19) | −0.0037 (15) | 0.0001 (19) |
| C24 | 0.0249 (18) | 0.055 (3) | 0.035 (2) | −0.0089 (16) | −0.0029 (14) | −0.0129 (18) |
| C25 | 0.0239 (17) | 0.0360 (19) | 0.0316 (19) | −0.0060 (14) | 0.0009 (13) | −0.0048 (15) |
| C26 | 0.0244 (16) | 0.0269 (16) | 0.0224 (16) | −0.0039 (12) | −0.0006 (12) | −0.0026 (13) |
| C27 | 0.0279 (17) | 0.0279 (18) | 0.0337 (19) | −0.0065 (13) | −0.0060 (14) | 0.0009 (15) |
| C28 | 0.0247 (17) | 0.039 (2) | 0.0311 (19) | −0.0076 (14) | −0.0018 (13) | −0.0036 (15) |
| C29 | 0.0325 (19) | 0.0311 (18) | 0.0262 (17) | −0.0096 (14) | 0.0020 (13) | −0.0037 (14) |
| C30 | 0.035 (2) | 0.034 (2) | 0.0286 (19) | −0.0043 (15) | −0.0041 (14) | 0.0035 (15) |
| C31 | 0.0243 (17) | 0.0347 (19) | 0.0316 (19) | −0.0034 (14) | −0.0050 (13) | 0.0007 (15) |
| C32 | 0.0318 (19) | 0.039 (2) | 0.0253 (18) | −0.0092 (15) | −0.0009 (14) | 0.0003 (15) |
| C33 | 0.046 (3) | 0.047 (3) | 0.069 (3) | −0.009 (2) | 0.012 (2) | 0.000 (2) |
| C34 | 0.039 (3) | 0.073 (4) | 0.063 (3) | −0.012 (2) | 0.012 (2) | 0.005 (3) |
| C35 | 0.057 (3) | 0.050 (3) | 0.045 (3) | −0.027 (2) | −0.004 (2) | 0.010 (2) |
| C36 | 0.074 (4) | 0.047 (3) | 0.058 (3) | −0.017 (3) | 0.012 (3) | 0.010 (2) |
| C37 | 0.065 (3) | 0.046 (3) | 0.041 (3) | −0.015 (2) | 0.011 (2) | 0.004 (2) |
| C38 | 0.0220 (15) | 0.0214 (15) | 0.0241 (16) | −0.0032 (11) | −0.0004 (11) | −0.0005 (12) |
| C39 | 0.0366 (19) | 0.0242 (17) | 0.0325 (19) | −0.0063 (14) | −0.0086 (15) | −0.0044 (14) |
| C40 | 0.0355 (19) | 0.0180 (15) | 0.040 (2) | −0.0062 (13) | −0.0075 (15) | −0.0015 (14) |
| C41 | 0.0229 (15) | 0.0229 (16) | 0.0249 (16) | −0.0037 (12) | −0.0014 (12) | −0.0007 (12) |
| C42 | 0.0310 (18) | 0.0234 (16) | 0.0343 (19) | −0.0046 (13) | −0.0088 (14) | −0.0053 (14) |
| C43 | 0.037 (2) | 0.0173 (15) | 0.038 (2) | −0.0025 (13) | −0.0107 (15) | −0.0026 (14) |
| C44 | 0.0270 (17) | 0.0237 (16) | 0.0278 (17) | −0.0009 (12) | −0.0038 (13) | −0.0031 (13) |
| C45 | 0.037 (2) | 0.0290 (18) | 0.034 (2) | −0.0054 (15) | −0.0045 (15) | 0.0003 (15) |
| C46 | 0.055 (3) | 0.034 (2) | 0.036 (2) | −0.0017 (18) | −0.0108 (19) | 0.0039 (17) |
| C47 | 0.065 (3) | 0.050 (3) | 0.046 (3) | 0.000 (2) | −0.032 (2) | 0.002 (2) |
| C48 | 0.049 (3) | 0.053 (3) | 0.065 (3) | −0.013 (2) | −0.030 (2) | 0.000 (2) |
| C49 | 0.035 (2) | 0.034 (2) | 0.050 (2) | −0.0079 (16) | −0.0153 (18) | 0.0019 (18) |
| C50 | 0.0238 (16) | 0.0253 (16) | 0.0232 (16) | −0.0030 (12) | −0.0002 (12) | −0.0035 (13) |
| C51 | 0.0293 (19) | 0.039 (2) | 0.037 (2) | −0.0099 (15) | 0.0053 (15) | −0.0140 (17) |
| C52 | 0.0297 (19) | 0.039 (2) | 0.040 (2) | −0.0118 (15) | 0.0053 (15) | −0.0105 (17) |
| C53 | 0.0354 (19) | 0.0286 (18) | 0.0226 (16) | −0.0073 (14) | −0.0006 (13) | −0.0007 (14) |
| C54 | 0.033 (2) | 0.042 (2) | 0.0310 (19) | −0.0096 (16) | 0.0054 (15) | −0.0104 (16) |
| C55 | 0.0253 (17) | 0.039 (2) | 0.0309 (19) | −0.0102 (14) | 0.0048 (13) | −0.0065 (15) |
| C56 | 0.044 (2) | 0.0308 (19) | 0.0248 (18) | −0.0128 (15) | 0.0035 (15) | −0.0036 (14) |
| C57 | 0.058 (3) | 0.048 (3) | 0.034 (2) | −0.010 (2) | −0.0101 (19) | −0.0077 (19) |
| C58 | 0.076 (4) | 0.053 (3) | 0.037 (2) | −0.015 (3) | −0.017 (2) | −0.010 (2) |
| C59 | 0.089 (4) | 0.047 (3) | 0.033 (2) | −0.029 (3) | −0.002 (2) | −0.011 (2) |
| C60 | 0.076 (4) | 0.045 (3) | 0.029 (2) | −0.017 (2) | 0.014 (2) | −0.0104 (19) |
| C61 | 0.055 (3) | 0.040 (2) | 0.032 (2) | −0.0124 (19) | 0.0085 (18) | −0.0083 (18) |
| C62 | 0.0303 (18) | 0.0279 (17) | 0.0250 (17) | −0.0008 (13) | 0.0005 (13) | −0.0031 (14) |
| C63 | 0.0274 (17) | 0.0266 (17) | 0.0275 (17) | −0.0016 (13) | 0.0008 (13) | 0.0018 (14) |
| C64 | 0.0293 (18) | 0.0234 (16) | 0.0296 (18) | −0.0051 (13) | 0.0005 (13) | 0.0047 (13) |
| C65 | 0.0203 (15) | 0.0270 (17) | 0.0284 (17) | −0.0029 (12) | −0.0010 (12) | −0.0013 (13) |
| C66 | 0.0246 (17) | 0.0257 (17) | 0.0334 (19) | −0.0062 (13) | 0.0048 (13) | −0.0021 (14) |
| C67 | 0.0220 (16) | 0.0275 (17) | 0.0329 (18) | −0.0044 (12) | 0.0012 (13) | −0.0069 (14) |
| C68 | 0.0223 (16) | 0.037 (2) | 0.0309 (19) | 0.0013 (14) | 0.0011 (13) | −0.0070 (15) |
| C69 | 0.0291 (18) | 0.0300 (18) | 0.0323 (19) | −0.0064 (14) | 0.0034 (14) | −0.0060 (15) |
| C70 | 0.0294 (17) | 0.0198 (15) | 0.0304 (18) | −0.0008 (12) | −0.0033 (13) | 0.0002 (13) |
| Ru1—C63 | 1.891 (4) | C22—H22A | 0.9300 |
| Ru1—C64 | 1.928 (4) | C23—C24 | 1.384 (7) |
| Ru1—C62 | 1.943 (4) | C23—H23A | 0.9300 |
| Ru1—As1 | 2.4335 (8) | C24—C25 | 1.397 (5) |
| Ru1—Ru2 | 2.8590 (7) | C24—H24A | 0.9300 |
| Ru1—Ru3 | 2.8767 (10) | C25—H25A | 0.9300 |
| Ru2—C66 | 1.894 (4) | C26—C31 | 1.376 (5) |
| Ru2—C67 | 1.927 (4) | C26—C27 | 1.395 (5) |
| Ru2—C65 | 1.941 (4) | C27—C28 | 1.396 (5) |
| Ru2—As2 | 2.4361 (8) | C27—H27A | 0.9300 |
| Ru2—Ru3 | 2.8153 (7) | C28—C29 | 1.397 (5) |
| Ru3—C69 | 1.876 (4) | C28—H28A | 0.9300 |
| Ru3—C70 | 1.930 (4) | C29—C30 | 1.388 (5) |
| Ru3—C68 | 1.942 (4) | C29—C32 | 1.493 (5) |
| Ru3—As3 | 2.4641 (8) | C30—C31 | 1.403 (5) |
| As1—C1 | 1.938 (4) | C30—H30A | 0.9300 |
| As1—C7 | 1.947 (3) | C31—H31A | 0.9300 |
| As1—C13 | 1.967 (3) | C32—C37 | 1.353 (6) |
| As2—C20 | 1.938 (3) | C32—C33 | 1.383 (6) |
| As2—C14 | 1.940 (3) | C33—C34 | 1.397 (7) |
| As2—C13 | 1.954 (3) | C33—H33A | 0.9300 |
| As3—C38 | 1.943 (3) | C34—C35 | 1.340 (8) |
| As3—C50 | 1.952 (4) | C34—H34A | 0.9300 |
| As3—C26 | 1.960 (3) | C35—C36 | 1.350 (8) |
| O1—C62 | 1.143 (5) | C35—H35A | 0.9300 |
| O2—C63 | 1.154 (4) | C36—C37 | 1.398 (7) |
| O3—C64 | 1.149 (5) | C36—H36A | 0.9300 |
| O4—C65 | 1.142 (4) | C37—H37A | 0.9300 |
| O5—C66 | 1.145 (4) | C38—C39 | 1.393 (5) |
| O6—C67 | 1.149 (4) | C38—C43 | 1.396 (5) |
| O7—C68 | 1.135 (5) | C39—C40 | 1.384 (5) |
| O8—C69 | 1.146 (5) | C39—H39A | 0.9300 |
| O9—C70 | 1.145 (4) | C40—C41 | 1.389 (5) |
| C1—C6 | 1.378 (5) | C40—H40A | 0.9300 |
| C1—C2 | 1.387 (6) | C41—C42 | 1.399 (5) |
| C2—C3 | 1.399 (6) | C41—C44 | 1.489 (5) |
| C2—H2A | 0.9300 | C42—C43 | 1.377 (5) |
| C3—C4 | 1.366 (7) | C42—H42A | 0.9300 |
| C3—H3A | 0.9300 | C43—H43A | 0.9300 |
| C4—C5 | 1.364 (7) | C44—C45 | 1.381 (5) |
| C4—H4A | 0.9300 | C44—C49 | 1.396 (5) |
| C5—C6 | 1.398 (6) | C45—C46 | 1.398 (6) |
| C5—H5A | 0.9300 | C45—H45A | 0.9300 |
| C6—H6A | 0.9300 | C46—C47 | 1.367 (7) |
| C7—C12 | 1.393 (6) | C46—H46A | 0.9300 |
| C7—C8 | 1.399 (5) | C47—C48 | 1.375 (7) |
| C8—C9 | 1.395 (6) | C47—H47A | 0.9300 |
| C8—H8A | 0.9300 | C48—C49 | 1.381 (6) |
| C9—C10 | 1.370 (7) | C48—H48A | 0.9300 |
| C9—H9A | 0.9300 | C49—H49A | 0.9300 |
| C10—C11 | 1.385 (7) | C50—C55 | 1.383 (5) |
| C10—H10A | 0.9300 | C50—C51 | 1.401 (5) |
| C11—C12 | 1.394 (6) | C51—C52 | 1.381 (6) |
| C11—H11A | 0.9300 | C51—H51A | 0.9300 |
| C12—H12A | 0.9300 | C52—C53 | 1.381 (5) |
| C13—H13A | 0.9700 | C52—H52A | 0.9300 |
| C13—H13B | 0.9700 | C53—C54 | 1.398 (5) |
| C14—C19 | 1.387 (5) | C53—C56 | 1.500 (5) |
| C14—C15 | 1.392 (5) | C54—C55 | 1.385 (6) |
| C15—C16 | 1.386 (5) | C54—H54A | 0.9300 |
| C15—H15A | 0.9300 | C55—H55A | 0.9300 |
| C16—C17 | 1.374 (6) | C56—C57 | 1.383 (6) |
| C16—H16A | 0.9300 | C56—C61 | 1.383 (6) |
| C17—C18 | 1.391 (6) | C57—C58 | 1.386 (7) |
| C17—H17A | 0.9300 | C57—H57A | 0.9300 |
| C18—C19 | 1.388 (5) | C58—C59 | 1.379 (8) |
| C18—H18A | 0.9300 | C58—H58A | 0.9300 |
| C19—H19A | 0.9300 | C59—C60 | 1.358 (8) |
| C20—C21 | 1.386 (5) | C59—H59A | 0.9300 |
| C20—C25 | 1.397 (5) | C60—C61 | 1.386 (7) |
| C21—C22 | 1.395 (5) | C60—H60A | 0.9300 |
| C21—H21A | 0.9300 | C61—H61A | 0.9300 |
| C22—C23 | 1.378 (7) | ||
| C63—Ru1—C64 | 92.14 (15) | C23—C22—H22A | 120.1 |
| C63—Ru1—C62 | 91.57 (16) | C21—C22—H22A | 120.1 |
| C64—Ru1—C62 | 170.39 (15) | C22—C23—C24 | 120.5 (4) |
| C63—Ru1—As1 | 97.75 (11) | C22—C23—H23A | 119.7 |
| C64—Ru1—As1 | 91.93 (11) | C24—C23—H23A | 119.7 |
| C62—Ru1—As1 | 96.35 (11) | C23—C24—C25 | 119.4 (4) |
| C63—Ru1—Ru2 | 168.63 (12) | C23—C24—H24A | 120.3 |
| C64—Ru1—Ru2 | 92.96 (10) | C25—C24—H24A | 120.3 |
| C62—Ru1—Ru2 | 81.88 (11) | C20—C25—C24 | 120.8 (4) |
| C63—Ru1—Ru3 | 112.97 (11) | C20—C25—H25A | 119.6 |
| C64—Ru1—Ru3 | 75.28 (11) | C24—C25—H25A | 119.6 |
| C62—Ru1—Ru3 | 95.11 (11) | C31—C26—C27 | 119.5 (3) |
| As1—Ru1—Ru3 | 146.81 (2) | C31—C26—As3 | 119.2 (3) |
| Ru2—Ru1—Ru3 | 58.791 (16) | C27—C26—As3 | 121.3 (3) |
| C66—Ru2—C67 | 90.62 (16) | C26—C27—C28 | 120.0 (3) |
| C66—Ru2—C65 | 90.87 (16) | C26—C27—H27A | 120.0 |
| C67—Ru2—C65 | 174.96 (14) | C28—C27—H27A | 120.0 |
| C66—Ru2—As2 | 105.56 (11) | C27—C28—C29 | 121.1 (3) |
| C67—Ru2—As2 | 94.76 (11) | C27—C28—H28A | 119.5 |
| C65—Ru2—As2 | 89.47 (10) | C29—C28—H28A | 119.5 |
| C66—Ru2—Ru3 | 103.67 (11) | C30—C29—C28 | 117.9 (3) |
| C67—Ru2—Ru3 | 79.84 (11) | C30—C29—C32 | 121.7 (3) |
| C65—Ru2—Ru3 | 95.13 (10) | C28—C29—C32 | 120.3 (3) |
| As2—Ru2—Ru3 | 150.318 (16) | C29—C30—C31 | 121.3 (3) |
| C66—Ru2—Ru1 | 161.39 (11) | C29—C30—H30A | 119.4 |
| C67—Ru2—Ru1 | 96.28 (11) | C31—C30—H30A | 119.4 |
| C65—Ru2—Ru1 | 80.88 (10) | C26—C31—C30 | 120.2 (3) |
| Ru3—Ru2—Ru1 | 60.92 (2) | C26—C31—H31A | 119.9 |
| C69—Ru3—C70 | 87.66 (16) | C30—C31—H31A | 119.9 |
| C69—Ru3—C68 | 95.64 (17) | C37—C32—C33 | 117.3 (4) |
| C70—Ru3—C68 | 175.00 (15) | C37—C32—C29 | 120.9 (4) |
| C69—Ru3—As3 | 98.12 (12) | C33—C32—C29 | 121.7 (4) |
| C70—Ru3—As3 | 92.47 (11) | C32—C33—C34 | 120.3 (5) |
| C68—Ru3—As3 | 90.78 (11) | C32—C33—H33A | 119.8 |
| C69—Ru3—Ru2 | 90.05 (12) | C34—C33—H33A | 119.8 |
| C70—Ru3—Ru2 | 80.53 (11) | C35—C34—C33 | 121.9 (5) |
| C68—Ru3—Ru2 | 95.68 (11) | C35—C34—H34A | 119.0 |
| As3—Ru3—Ru2 | 169.049 (15) | C33—C34—H34A | 119.0 |
| C69—Ru3—Ru1 | 148.56 (12) | C34—C35—C36 | 117.7 (5) |
| C70—Ru3—Ru1 | 96.67 (10) | C34—C35—H35A | 121.2 |
| C68—Ru3—Ru1 | 78.56 (12) | C36—C35—H35A | 121.2 |
| As3—Ru3—Ru1 | 112.715 (16) | C35—C36—C37 | 121.8 (5) |
| Ru2—Ru3—Ru1 | 60.291 (14) | C35—C36—H36A | 119.1 |
| C1—As1—C7 | 99.53 (15) | C37—C36—H36A | 119.1 |
| C1—As1—C13 | 101.37 (15) | C32—C37—C36 | 120.9 (5) |
| C7—As1—C13 | 100.45 (15) | C32—C37—H37A | 119.5 |
| C1—As1—Ru1 | 115.25 (11) | C36—C37—H37A | 119.5 |
| C7—As1—Ru1 | 121.01 (12) | C39—C38—C43 | 119.0 (3) |
| C13—As1—Ru1 | 116.05 (10) | C39—C38—As3 | 120.6 (3) |
| C20—As2—C14 | 104.05 (15) | C43—C38—As3 | 120.3 (2) |
| C20—As2—C13 | 103.72 (15) | C40—C39—C38 | 120.0 (3) |
| C14—As2—C13 | 99.28 (14) | C40—C39—H39A | 120.0 |
| C20—As2—Ru2 | 119.35 (10) | C38—C39—H39A | 120.0 |
| C14—As2—Ru2 | 118.20 (10) | C39—C40—C41 | 121.5 (3) |
| C13—As2—Ru2 | 109.56 (10) | C39—C40—H40A | 119.3 |
| C38—As3—C50 | 101.80 (14) | C41—C40—H40A | 119.3 |
| C38—As3—C26 | 100.91 (14) | C40—C41—C42 | 118.0 (3) |
| C50—As3—C26 | 101.33 (15) | C40—C41—C44 | 121.0 (3) |
| C38—As3—Ru3 | 111.64 (10) | C42—C41—C44 | 121.0 (3) |
| C50—As3—Ru3 | 113.29 (10) | C43—C42—C41 | 121.0 (3) |
| C26—As3—Ru3 | 124.89 (10) | C43—C42—H42A | 119.5 |
| C6—C1—C2 | 119.0 (4) | C41—C42—H42A | 119.5 |
| C6—C1—As1 | 117.3 (3) | C42—C43—C38 | 120.5 (3) |
| C2—C1—As1 | 123.7 (3) | C42—C43—H43A | 119.8 |
| C1—C2—C3 | 119.7 (4) | C38—C43—H43A | 119.8 |
| C1—C2—H2A | 120.2 | C45—C44—C49 | 119.0 (3) |
| C3—C2—H2A | 120.2 | C45—C44—C41 | 121.1 (3) |
| C4—C3—C2 | 121.0 (5) | C49—C44—C41 | 119.9 (3) |
| C4—C3—H3A | 119.5 | C44—C45—C46 | 120.3 (4) |
| C2—C3—H3A | 119.5 | C44—C45—H45A | 119.8 |
| C5—C4—C3 | 119.3 (4) | C46—C45—H45A | 119.8 |
| C5—C4—H4A | 120.4 | C47—C46—C45 | 120.3 (4) |
| C3—C4—H4A | 120.4 | C47—C46—H46A | 119.8 |
| C4—C5—C6 | 120.7 (4) | C45—C46—H46A | 119.8 |
| C4—C5—H5A | 119.6 | C46—C47—C48 | 119.5 (4) |
| C6—C5—H5A | 119.6 | C46—C47—H47A | 120.3 |
| C1—C6—C5 | 120.2 (4) | C48—C47—H47A | 120.3 |
| C1—C6—H6A | 119.9 | C47—C48—C49 | 121.3 (4) |
| C5—C6—H6A | 119.9 | C47—C48—H48A | 119.4 |
| C12—C7—C8 | 120.3 (3) | C49—C48—H48A | 119.4 |
| C12—C7—As1 | 121.0 (3) | C48—C49—C44 | 119.6 (4) |
| C8—C7—As1 | 118.6 (3) | C48—C49—H49A | 120.2 |
| C9—C8—C7 | 119.2 (4) | C44—C49—H49A | 120.2 |
| C9—C8—H8A | 120.4 | C55—C50—C51 | 118.4 (3) |
| C7—C8—H8A | 120.4 | C55—C50—As3 | 122.0 (3) |
| C10—C9—C8 | 120.3 (4) | C51—C50—As3 | 119.6 (3) |
| C10—C9—H9A | 119.9 | C52—C51—C50 | 120.7 (4) |
| C8—C9—H9A | 119.9 | C52—C51—H51A | 119.7 |
| C9—C10—C11 | 120.9 (4) | C50—C51—H51A | 119.7 |
| C9—C10—H10A | 119.5 | C53—C52—C51 | 121.3 (4) |
| C11—C10—H10A | 119.5 | C53—C52—H52A | 119.3 |
| C10—C11—C12 | 119.8 (4) | C51—C52—H52A | 119.3 |
| C10—C11—H11A | 120.1 | C52—C53—C54 | 117.8 (4) |
| C12—C11—H11A | 120.1 | C52—C53—C56 | 119.9 (4) |
| C7—C12—C11 | 119.5 (4) | C54—C53—C56 | 122.3 (3) |
| C7—C12—H12A | 120.2 | C55—C54—C53 | 121.4 (4) |
| C11—C12—H12A | 120.2 | C55—C54—H54A | 119.3 |
| As2—C13—As1 | 110.23 (16) | C53—C54—H54A | 119.3 |
| As2—C13—H13A | 109.6 | C50—C55—C54 | 120.4 (4) |
| As1—C13—H13A | 109.6 | C50—C55—H55A | 119.8 |
| As2—C13—H13B | 109.6 | C54—C55—H55A | 119.8 |
| As1—C13—H13B | 109.6 | C57—C56—C61 | 118.6 (4) |
| H13A—C13—H13B | 108.1 | C57—C56—C53 | 120.2 (4) |
| C19—C14—C15 | 119.9 (3) | C61—C56—C53 | 121.1 (4) |
| C19—C14—As2 | 122.0 (3) | C56—C57—C58 | 121.4 (5) |
| C15—C14—As2 | 118.2 (3) | C56—C57—H57A | 119.3 |
| C16—C15—C14 | 120.0 (4) | C58—C57—H57A | 119.3 |
| C16—C15—H15A | 120.0 | C59—C58—C57 | 118.9 (5) |
| C14—C15—H15A | 120.0 | C59—C58—H58A | 120.6 |
| C17—C16—C15 | 120.4 (4) | C57—C58—H58A | 120.6 |
| C17—C16—H16A | 119.8 | C60—C59—C58 | 120.4 (5) |
| C15—C16—H16A | 119.8 | C60—C59—H59A | 119.8 |
| C16—C17—C18 | 119.8 (4) | C58—C59—H59A | 119.8 |
| C16—C17—H17A | 120.1 | C59—C60—C61 | 120.9 (5) |
| C18—C17—H17A | 120.1 | C59—C60—H60A | 119.6 |
| C19—C18—C17 | 120.3 (4) | C61—C60—H60A | 119.6 |
| C19—C18—H18A | 119.9 | C56—C61—C60 | 119.9 (5) |
| C17—C18—H18A | 119.9 | C56—C61—H61A | 120.1 |
| C14—C19—C18 | 119.7 (4) | C60—C61—H61A | 120.1 |
| C14—C19—H19A | 120.2 | O1—C62—Ru1 | 175.5 (3) |
| C18—C19—H19A | 120.2 | O2—C63—Ru1 | 176.6 (3) |
| C21—C20—C25 | 118.4 (3) | O3—C64—Ru1 | 172.8 (3) |
| C21—C20—As2 | 122.8 (3) | O4—C65—Ru2 | 173.4 (3) |
| C25—C20—As2 | 118.8 (3) | O5—C66—Ru2 | 177.0 (4) |
| C20—C21—C22 | 121.1 (4) | O6—C67—Ru2 | 174.0 (3) |
| C20—C21—H21A | 119.5 | O7—C68—Ru3 | 172.5 (4) |
| C22—C21—H21A | 119.5 | O8—C69—Ru3 | 175.6 (3) |
| C23—C22—C21 | 119.7 (4) | O9—C70—Ru3 | 173.3 (3) |
| C63—Ru1—Ru2—C66 | −82.2 (7) | C13—As1—C7—C12 | 116.4 (3) |
| C64—Ru1—Ru2—C66 | 34.3 (4) | Ru1—As1—C7—C12 | −12.8 (4) |
| C62—Ru1—Ru2—C66 | −137.5 (4) | C1—As1—C7—C8 | 43.9 (3) |
| As1—Ru1—Ru2—C66 | 126.4 (4) | C13—As1—C7—C8 | −59.6 (3) |
| Ru3—Ru1—Ru2—C66 | −36.5 (4) | Ru1—As1—C7—C8 | 171.2 (3) |
| C63—Ru1—Ru2—C67 | 28.9 (6) | C12—C7—C8—C9 | −0.9 (6) |
| C64—Ru1—Ru2—C67 | 145.48 (15) | As1—C7—C8—C9 | 175.2 (3) |
| C62—Ru1—Ru2—C67 | −26.37 (15) | C7—C8—C9—C10 | −1.0 (7) |
| As1—Ru1—Ru2—C67 | −122.47 (11) | C8—C9—C10—C11 | 2.2 (8) |
| Ru3—Ru1—Ru2—C67 | 74.67 (11) | C9—C10—C11—C12 | −1.5 (7) |
| C63—Ru1—Ru2—C65 | −146.9 (6) | C8—C7—C12—C11 | 1.6 (6) |
| C64—Ru1—Ru2—C65 | −30.32 (15) | As1—C7—C12—C11 | −174.4 (3) |
| C62—Ru1—Ru2—C65 | 157.83 (15) | C10—C11—C12—C7 | −0.4 (6) |
| As1—Ru1—Ru2—C65 | 61.74 (10) | C20—As2—C13—As1 | 83.00 (18) |
| Ru3—Ru1—Ru2—C65 | −101.12 (10) | C14—As2—C13—As1 | −169.96 (17) |
| C63—Ru1—Ru2—As2 | 123.8 (5) | Ru2—As2—C13—As1 | −45.47 (17) |
| C64—Ru1—Ru2—As2 | −119.61 (11) | C1—As1—C13—As2 | 145.49 (17) |
| C62—Ru1—Ru2—As2 | 68.54 (11) | C7—As1—C13—As2 | −112.46 (18) |
| As1—Ru1—Ru2—As2 | −27.553 (17) | Ru1—As1—C13—As2 | 19.86 (19) |
| Ru3—Ru1—Ru2—As2 | 169.586 (14) | C20—As2—C14—C19 | 13.3 (3) |
| C63—Ru1—Ru2—Ru3 | −45.7 (5) | C13—As2—C14—C19 | −93.5 (3) |
| C64—Ru1—Ru2—Ru3 | 70.81 (11) | Ru2—As2—C14—C19 | 148.3 (3) |
| C62—Ru1—Ru2—Ru3 | −101.05 (11) | C20—As2—C14—C15 | −167.8 (3) |
| As1—Ru1—Ru2—Ru3 | 162.861 (15) | C13—As2—C14—C15 | 85.4 (3) |
| C66—Ru2—Ru3—C69 | −22.23 (17) | Ru2—As2—C14—C15 | −32.8 (3) |
| C67—Ru2—Ru3—C69 | 65.92 (17) | C19—C14—C15—C16 | 0.0 (6) |
| C65—Ru2—Ru3—C69 | −114.38 (16) | As2—C14—C15—C16 | −178.9 (3) |
| As2—Ru2—Ru3—C69 | 147.63 (12) | C14—C15—C16—C17 | −0.9 (6) |
| Ru1—Ru2—Ru3—C69 | 169.04 (12) | C15—C16—C17—C18 | 1.9 (6) |
| C66—Ru2—Ru3—C70 | 65.40 (16) | C16—C17—C18—C19 | −2.0 (6) |
| C67—Ru2—Ru3—C70 | 153.55 (15) | C15—C14—C19—C18 | −0.1 (6) |
| C65—Ru2—Ru3—C70 | −26.76 (15) | As2—C14—C19—C18 | 178.8 (3) |
| As2—Ru2—Ru3—C70 | −124.75 (11) | C17—C18—C19—C14 | 1.0 (6) |
| Ru1—Ru2—Ru3—C70 | −103.34 (11) | C14—As2—C20—C21 | −103.8 (3) |
| C66—Ru2—Ru3—C68 | −117.90 (17) | C13—As2—C20—C21 | −0.4 (3) |
| C67—Ru2—Ru3—C68 | −29.74 (17) | Ru2—As2—C20—C21 | 121.8 (3) |
| C65—Ru2—Ru3—C68 | 149.95 (16) | C14—As2—C20—C25 | 78.6 (3) |
| As2—Ru2—Ru3—C68 | 51.96 (13) | C13—As2—C20—C25 | −178.0 (3) |
| Ru1—Ru2—Ru3—C68 | 73.37 (12) | Ru2—As2—C20—C25 | −55.8 (3) |
| C66—Ru2—Ru3—As3 | 116.23 (14) | C25—C20—C21—C22 | 0.7 (5) |
| C67—Ru2—Ru3—As3 | −155.62 (13) | As2—C20—C21—C22 | −177.0 (3) |
| C65—Ru2—Ru3—As3 | 24.07 (13) | C20—C21—C22—C23 | −0.8 (6) |
| As2—Ru2—Ru3—As3 | −73.92 (9) | C21—C22—C23—C24 | 0.6 (7) |
| Ru1—Ru2—Ru3—As3 | −52.51 (8) | C22—C23—C24—C25 | −0.4 (6) |
| C66—Ru2—Ru3—Ru1 | 168.74 (12) | C21—C20—C25—C24 | −0.5 (5) |
| C67—Ru2—Ru3—Ru1 | −103.11 (11) | As2—C20—C25—C24 | 177.3 (3) |
| C65—Ru2—Ru3—Ru1 | 76.59 (10) | C23—C24—C25—C20 | 0.4 (6) |
| As2—Ru2—Ru3—Ru1 | −21.40 (3) | C38—As3—C26—C31 | 170.3 (3) |
| C63—Ru1—Ru3—C69 | 149.8 (3) | C50—As3—C26—C31 | −85.2 (3) |
| C64—Ru1—Ru3—C69 | −124.2 (3) | Ru3—As3—C26—C31 | 43.9 (3) |
| C62—Ru1—Ru3—C69 | 55.9 (3) | C38—As3—C26—C27 | −9.7 (3) |
| As1—Ru1—Ru3—C69 | −53.9 (2) | C50—As3—C26—C27 | 94.8 (3) |
| Ru2—Ru1—Ru3—C69 | −21.4 (2) | Ru3—As3—C26—C27 | −136.0 (3) |
| C63—Ru1—Ru3—C70 | −113.74 (17) | C31—C26—C27—C28 | −1.0 (6) |
| C64—Ru1—Ru3—C70 | −27.72 (16) | As3—C26—C27—C28 | 178.9 (3) |
| C62—Ru1—Ru3—C70 | 152.38 (16) | C26—C27—C28—C29 | −0.5 (6) |
| As1—Ru1—Ru3—C70 | 42.54 (11) | C27—C28—C29—C30 | 1.4 (6) |
| Ru2—Ru1—Ru3—C70 | 75.09 (11) | C27—C28—C29—C32 | −176.4 (4) |
| C63—Ru1—Ru3—C68 | 67.78 (17) | C28—C29—C30—C31 | −0.8 (6) |
| C64—Ru1—Ru3—C68 | 153.80 (16) | C32—C29—C30—C31 | 176.9 (4) |
| C62—Ru1—Ru3—C68 | −26.10 (15) | C27—C26—C31—C30 | 1.6 (6) |
| As1—Ru1—Ru3—C68 | −135.94 (11) | As3—C26—C31—C30 | −178.4 (3) |
| Ru2—Ru1—Ru3—C68 | −103.39 (11) | C29—C30—C31—C26 | −0.7 (6) |
| C63—Ru1—Ru3—As3 | −18.23 (13) | C30—C29—C32—C37 | −48.6 (6) |
| C64—Ru1—Ru3—As3 | 67.79 (12) | C28—C29—C32—C37 | 129.0 (5) |
| C62—Ru1—Ru3—As3 | −112.12 (11) | C30—C29—C32—C33 | 131.8 (5) |
| As1—Ru1—Ru3—As3 | 138.05 (3) | C28—C29—C32—C33 | −50.6 (6) |
| Ru2—Ru1—Ru3—As3 | 170.595 (16) | C37—C32—C33—C34 | 1.9 (8) |
| C63—Ru1—Ru3—Ru2 | 171.18 (13) | C29—C32—C33—C34 | −178.5 (5) |
| C64—Ru1—Ru3—Ru2 | −102.80 (12) | C32—C33—C34—C35 | −2.0 (9) |
| C62—Ru1—Ru3—Ru2 | 77.29 (11) | C33—C34—C35—C36 | −0.4 (9) |
| As1—Ru1—Ru3—Ru2 | −32.54 (3) | C34—C35—C36—C37 | 2.9 (9) |
| C63—Ru1—As1—C1 | 76.64 (17) | C33—C32—C37—C36 | 0.5 (8) |
| C64—Ru1—As1—C1 | −15.78 (16) | C29—C32—C37—C36 | −179.1 (5) |
| C62—Ru1—As1—C1 | 169.10 (16) | C35—C36—C37—C32 | −3.0 (9) |
| Ru2—Ru1—As1—C1 | −108.83 (12) | C50—As3—C38—C39 | 18.2 (3) |
| Ru3—Ru1—As1—C1 | −81.41 (12) | C26—As3—C38—C39 | 122.4 (3) |
| C63—Ru1—As1—C7 | −43.16 (17) | Ru3—As3—C38—C39 | −102.9 (3) |
| C64—Ru1—As1—C7 | −135.58 (16) | C50—As3—C38—C43 | −166.0 (3) |
| C62—Ru1—As1—C7 | 49.31 (16) | C26—As3—C38—C43 | −61.8 (3) |
| Ru2—Ru1—As1—C7 | 131.38 (12) | Ru3—As3—C38—C43 | 72.9 (3) |
| Ru3—Ru1—As1—C7 | 158.79 (12) | C43—C38—C39—C40 | −2.3 (6) |
| C63—Ru1—As1—C13 | −165.12 (16) | As3—C38—C39—C40 | 173.6 (3) |
| C64—Ru1—As1—C13 | 102.45 (15) | C38—C39—C40—C41 | 1.7 (6) |
| C62—Ru1—As1—C13 | −72.66 (16) | C39—C40—C41—C42 | 0.8 (6) |
| Ru2—Ru1—As1—C13 | 9.41 (11) | C39—C40—C41—C44 | −179.7 (4) |
| Ru3—Ru1—As1—C13 | 36.82 (12) | C40—C41—C42—C43 | −2.6 (6) |
| C66—Ru2—As2—C20 | 114.01 (17) | C44—C41—C42—C43 | 177.9 (4) |
| C67—Ru2—As2—C20 | 22.03 (16) | C41—C42—C43—C38 | 2.0 (6) |
| C65—Ru2—As2—C20 | −155.24 (16) | C39—C38—C43—C42 | 0.5 (6) |
| Ru3—Ru2—As2—C20 | −55.76 (13) | As3—C38—C43—C42 | −175.4 (3) |
| Ru1—Ru2—As2—C20 | −74.37 (12) | C40—C41—C44—C45 | 44.1 (5) |
| C66—Ru2—As2—C14 | −14.13 (17) | C42—C41—C44—C45 | −136.4 (4) |
| C67—Ru2—As2—C14 | −106.11 (16) | C40—C41—C44—C49 | −136.0 (4) |
| C65—Ru2—As2—C14 | 76.63 (16) | C42—C41—C44—C49 | 43.5 (5) |
| Ru3—Ru2—As2—C14 | 176.10 (12) | C49—C44—C45—C46 | −0.7 (6) |
| Ru1—Ru2—As2—C14 | 157.50 (12) | C41—C44—C45—C46 | 179.2 (4) |
| C66—Ru2—As2—C13 | −126.76 (16) | C44—C45—C46—C47 | 0.7 (7) |
| C67—Ru2—As2—C13 | 141.27 (15) | C45—C46—C47—C48 | 0.1 (8) |
| C65—Ru2—As2—C13 | −36.00 (15) | C46—C47—C48—C49 | −0.9 (9) |
| Ru3—Ru2—As2—C13 | 63.47 (11) | C47—C48—C49—C44 | 0.9 (8) |
| Ru1—Ru2—As2—C13 | 44.87 (11) | C45—C44—C49—C48 | −0.1 (7) |
| C69—Ru3—As3—C38 | 65.34 (16) | C41—C44—C49—C48 | 180.0 (4) |
| C70—Ru3—As3—C38 | −22.65 (15) | C38—As3—C50—C55 | 73.7 (3) |
| C68—Ru3—As3—C38 | 161.15 (16) | C26—As3—C50—C55 | −30.1 (3) |
| Ru2—Ru3—As3—C38 | −72.59 (13) | Ru3—As3—C50—C55 | −166.3 (3) |
| Ru1—Ru3—As3—C38 | −120.94 (11) | C38—As3—C50—C51 | −105.5 (3) |
| C69—Ru3—As3—C50 | −48.88 (16) | C26—As3—C50—C51 | 150.7 (3) |
| C70—Ru3—As3—C50 | −136.87 (15) | Ru3—As3—C50—C51 | 14.5 (3) |
| C68—Ru3—As3—C50 | 46.93 (16) | C55—C50—C51—C52 | 2.0 (6) |
| Ru2—Ru3—As3—C50 | 173.19 (13) | As3—C50—C51—C52 | −178.7 (3) |
| Ru1—Ru3—As3—C50 | 124.84 (11) | C50—C51—C52—C53 | 1.0 (6) |
| C69—Ru3—As3—C26 | −173.00 (17) | C51—C52—C53—C54 | −3.2 (6) |
| C70—Ru3—As3—C26 | 99.01 (16) | C51—C52—C53—C56 | 174.9 (4) |
| C68—Ru3—As3—C26 | −77.19 (17) | C52—C53—C54—C55 | 2.5 (6) |
| Ru2—Ru3—As3—C26 | 49.07 (15) | C56—C53—C54—C55 | −175.6 (4) |
| Ru1—Ru3—As3—C26 | 0.73 (13) | C51—C50—C55—C54 | −2.7 (6) |
| C7—As1—C1—C6 | 74.2 (3) | As3—C50—C55—C54 | 178.1 (3) |
| C13—As1—C1—C6 | 177.0 (3) | C53—C54—C55—C50 | 0.5 (6) |
| Ru1—As1—C1—C6 | −56.8 (3) | C52—C53—C56—C57 | −27.0 (6) |
| C7—As1—C1—C2 | −107.8 (4) | C54—C53—C56—C57 | 151.1 (4) |
| C13—As1—C1—C2 | −5.0 (4) | C52—C53—C56—C61 | 152.8 (4) |
| Ru1—As1—C1—C2 | 121.2 (4) | C54—C53—C56—C61 | −29.2 (6) |
| C6—C1—C2—C3 | −3.2 (7) | C61—C56—C57—C58 | −0.3 (7) |
| As1—C1—C2—C3 | 178.8 (4) | C53—C56—C57—C58 | 179.4 (4) |
| C1—C2—C3—C4 | 0.1 (9) | C56—C57—C58—C59 | 1.4 (7) |
| C2—C3—C4—C5 | 3.2 (9) | C57—C58—C59—C60 | −1.5 (8) |
| C3—C4—C5—C6 | −3.3 (8) | C58—C59—C60—C61 | 0.6 (7) |
| C2—C1—C6—C5 | 3.0 (7) | C57—C56—C61—C60 | −0.7 (6) |
| As1—C1—C6—C5 | −178.8 (3) | C53—C56—C61—C60 | 179.6 (4) |
| C4—C5—C6—C1 | 0.2 (7) | C59—C60—C61—C56 | 0.6 (7) |
| C1—As1—C7—C12 | −140.1 (3) |
| Cg1 is the centroid of the C26–C31 benzene ring. |
| H··· | ||||
| C46—H46A···O9i | 0.93 | 2.56 | 3.251 (6) | 131 |
| C24—H24A···Cg1ii | 0.93 | 2.95 | 3.625 (5) | 130 |
Hydrogen-bond geometry (Å, °)
Cg1 is the centroid of the C26–C31 benzene ring.
| H⋯ | ||||
|---|---|---|---|---|
| C46—H46 | 0.93 | 2.56 | 3.251 (6) | 131 |
| C24—H24 | 0.93 | 2.95 | 3.625 (5) | 130 |
Symmetry codes: (i) ; (ii) .