| Literature DB >> 21579685 |
Omar Bin Shawkataly, Imthyaz Ahmed Khan, Chin Sing Yeap, Hoong-Kun Fun.
Abstract
The asymmetric unit of the title triangulo-triruthenium cluster, [Ru(3)(C(25)H(22)As(2))(C(19)H(17)PS)(CO)(9)]·0.5CHCl(3), contains of one mol-ecule of the triangulo-triruthenium complex and half a mol-ecule of the disordered (two positions of equal weight) chloro-form solvent. The bis-(diphenyl-arsino)methane ligand bridges an Ru-Ru bond and the monodentate phosphine ligand bonds to the third Ru atom. Both the arsine and phosphine ligands are equatorial with respect to the Ru(3) triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The benzene ring of phenyl-thio-methyl is disordered over two positions with refined site occupancies of 0.788 (11) and 0.212 (11). In the crystal packing, mol-ecules are linked into chains along b axis by inter-molecular C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π inter-actions further stabilize the crystal structure.Entities:
Year: 2010 PMID: 21579685 PMCID: PMC2979739 DOI: 10.1107/S1600536810001212
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Ru3(C25H22As2)(C19H17PS)(CO)9]·0.5CHCl3 | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 9929 reflections |
| θ = 2.2–28.3° | |
| µ = 2.21 mm−1 | |
| β = 92.876 (1)° | Plate, brown |
| 0.51 × 0.16 × 0.04 mm | |
| Bruker SMART APEXII CCD area-detector diffractometer | 16008 independent reflections |
| Radiation source: fine-focus sealed tube | 11323 reflections with |
| graphite | |
| φ and ω scans | θmax = 30.1°, θmin = 2.0° |
| Absorption correction: multi-scan ( | |
| 70928 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 | |
| 16008 reflections | (Δ/σ)max = 0.001 |
| 678 parameters | Δρmax = 1.78 e Å−3 |
| 162 restraints | Δρmin = −3.30 e Å−3 |
| Experimental. The crystal was placed in the cold stream of an Oxford Cyrosystems Cobra open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K. |
| Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
| Refinement. Refinement of |
| Occ. (<1) | |||||
| Ru1 | 0.752259 (18) | 0.04613 (3) | 0.46155 (2) | 0.02268 (10) | |
| Ru2 | 0.638973 (17) | 0.11916 (3) | 0.49541 (2) | 0.02088 (10) | |
| Ru3 | 0.716761 (18) | 0.02270 (3) | 0.59312 (2) | 0.02310 (10) | |
| As1 | 0.72787 (2) | 0.08678 (4) | 0.34618 (3) | 0.02365 (12) | |
| As2 | 0.61767 (2) | 0.22498 (4) | 0.39438 (3) | 0.02128 (12) | |
| P1 | 0.79472 (6) | −0.08541 (11) | 0.63827 (7) | 0.0223 (3) | |
| S1 | 0.92881 (7) | −0.10436 (16) | 0.65861 (10) | 0.0492 (5) | |
| O1 | 0.73103 (17) | −0.2152 (3) | 0.46385 (19) | 0.0273 (8) | |
| O2 | 0.8804 (2) | −0.0041 (5) | 0.4513 (3) | 0.0661 (17) | |
| O3 | 0.7739 (2) | 0.3063 (4) | 0.4722 (2) | 0.0426 (11) | |
| O4 | 0.6689 (2) | 0.3441 (4) | 0.5684 (2) | 0.0457 (12) | |
| O5 | 0.5215 (2) | 0.1306 (4) | 0.5558 (3) | 0.0456 (12) | |
| O6 | 0.60819 (17) | −0.1138 (3) | 0.4309 (2) | 0.0296 (9) | |
| O7 | 0.63677 (18) | −0.1879 (4) | 0.5702 (2) | 0.0348 (10) | |
| O8 | 0.6529 (2) | 0.0746 (5) | 0.7156 (3) | 0.0559 (15) | |
| O9 | 0.7890 (2) | 0.2424 (4) | 0.6171 (3) | 0.0548 (14) | |
| C1 | 0.7947 (2) | 0.1213 (5) | 0.2947 (3) | 0.0298 (12) | |
| C2 | 0.8323 (3) | 0.2062 (7) | 0.3161 (4) | 0.054 (2) | |
| H2A | 0.8244 | 0.2490 | 0.3529 | 0.064* | |
| C3 | 0.8826 (3) | 0.2289 (7) | 0.2828 (4) | 0.059 (2) | |
| H3A | 0.9075 | 0.2877 | 0.2973 | 0.070* | |
| C4 | 0.8955 (3) | 0.1660 (7) | 0.2296 (4) | 0.0465 (17) | |
| H4A | 0.9292 | 0.1805 | 0.2078 | 0.056* | |
| C5 | 0.8576 (3) | 0.0800 (7) | 0.2084 (3) | 0.0455 (17) | |
| H5A | 0.8660 | 0.0363 | 0.1720 | 0.055* | |
| C6 | 0.8074 (3) | 0.0579 (6) | 0.2403 (3) | 0.0356 (13) | |
| H6A | 0.7821 | 0.0002 | 0.2252 | 0.043* | |
| C7 | 0.6829 (2) | −0.0168 (4) | 0.2886 (3) | 0.0246 (11) | |
| C8 | 0.6530 (3) | 0.0243 (5) | 0.2326 (3) | 0.0324 (13) | |
| H8A | 0.6544 | 0.1022 | 0.2221 | 0.039* | |
| C9 | 0.6212 (3) | −0.0516 (6) | 0.1925 (3) | 0.0410 (15) | |
| H9A | 0.6022 | −0.0247 | 0.1544 | 0.049* | |
| C10 | 0.6175 (3) | −0.1666 (6) | 0.2088 (3) | 0.0356 (14) | |
| H10A | 0.5947 | −0.2162 | 0.1827 | 0.043* | |
| C11 | 0.6474 (3) | −0.2079 (5) | 0.2636 (3) | 0.0353 (13) | |
| H11A | 0.6457 | −0.2859 | 0.2739 | 0.042* | |
| C12 | 0.6804 (3) | −0.1332 (5) | 0.3035 (3) | 0.0290 (12) | |
| H12A | 0.7009 | −0.1615 | 0.3403 | 0.035* | |
| C13 | 0.6838 (2) | 0.2317 (4) | 0.3380 (3) | 0.0251 (11) | |
| H13A | 0.7088 | 0.2961 | 0.3507 | 0.030* | |
| H13B | 0.6700 | 0.2429 | 0.2929 | 0.030* | |
| C14 | 0.5972 (2) | 0.3862 (4) | 0.4061 (3) | 0.0255 (11) | |
| C15 | 0.5393 (2) | 0.4151 (5) | 0.4107 (3) | 0.0273 (11) | |
| H15A | 0.5105 | 0.3596 | 0.4036 | 0.033* | |
| C16 | 0.5243 (3) | 0.5280 (5) | 0.4262 (3) | 0.0306 (12) | |
| H16A | 0.4854 | 0.5475 | 0.4296 | 0.037* | |
| C17 | 0.5663 (3) | 0.6101 (5) | 0.4363 (3) | 0.0360 (14) | |
| H17A | 0.5559 | 0.6850 | 0.4470 | 0.043* | |
| C18 | 0.6231 (3) | 0.5827 (5) | 0.4310 (4) | 0.0505 (19) | |
| H18A | 0.6515 | 0.6391 | 0.4372 | 0.061* | |
| C19 | 0.6390 (3) | 0.4695 (5) | 0.4161 (4) | 0.0465 (18) | |
| H19A | 0.6781 | 0.4508 | 0.4130 | 0.056* | |
| C20 | 0.5559 (2) | 0.1743 (4) | 0.3329 (3) | 0.0223 (10) | |
| C21 | 0.5464 (2) | 0.2288 (5) | 0.2732 (3) | 0.0281 (11) | |
| H21A | 0.5684 | 0.2928 | 0.2630 | 0.034* | |
| C22 | 0.5039 (3) | 0.1879 (5) | 0.2288 (3) | 0.0330 (13) | |
| H22A | 0.4973 | 0.2252 | 0.1890 | 0.040* | |
| C23 | 0.4717 (2) | 0.0927 (5) | 0.2432 (3) | 0.0303 (12) | |
| H23A | 0.4443 | 0.0640 | 0.2125 | 0.036* | |
| C24 | 0.4799 (3) | 0.0392 (5) | 0.3038 (3) | 0.0323 (13) | |
| H24A | 0.4574 | −0.0241 | 0.3141 | 0.039* | |
| C25 | 0.5218 (2) | 0.0806 (4) | 0.3486 (3) | 0.0258 (11) | |
| H25A | 0.5272 | 0.0456 | 0.3892 | 0.031* | |
| C26 | 0.8014 (2) | −0.2287 (5) | 0.6040 (3) | 0.0276 (11) | |
| C27 | 0.7589 (3) | −0.3107 (5) | 0.6167 (3) | 0.0340 (13) | |
| H27A | 0.7289 | −0.2923 | 0.6435 | 0.041* | |
| C28 | 0.7618 (4) | −0.4194 (6) | 0.5891 (4) | 0.051 (2) | |
| H28A | 0.7334 | −0.4738 | 0.5975 | 0.062* | |
| C29 | 0.8059 (5) | −0.4477 (6) | 0.5497 (4) | 0.064 (3) | |
| H29A | 0.8075 | −0.5211 | 0.5317 | 0.077* | |
| C30 | 0.8473 (4) | −0.3685 (6) | 0.5370 (4) | 0.053 (2) | |
| H30A | 0.8774 | −0.3889 | 0.5106 | 0.064* | |
| C31 | 0.8458 (3) | −0.2566 (5) | 0.5629 (3) | 0.0373 (14) | |
| H31A | 0.8737 | −0.2023 | 0.5529 | 0.045* | |
| C32 | 0.7982 (2) | −0.1102 (6) | 0.7268 (3) | 0.0352 (14) | |
| C33 | 0.7886 (3) | −0.0200 (7) | 0.7672 (3) | 0.0451 (17) | |
| H33A | 0.7783 | 0.0511 | 0.7492 | 0.054* | |
| C34 | 0.7940 (3) | −0.0314 (9) | 0.8353 (4) | 0.062 (2) | |
| H34A | 0.7879 | 0.0317 | 0.8620 | 0.075* | |
| C35 | 0.8082 (4) | −0.1367 (9) | 0.8621 (4) | 0.066 (3) | |
| H35A | 0.8113 | −0.1455 | 0.9073 | 0.079* | |
| C36 | 0.8178 (4) | −0.2289 (8) | 0.8223 (4) | 0.061 (2) | |
| H36A | 0.8271 | −0.3002 | 0.8408 | 0.074* | |
| C37 | 0.8138 (3) | −0.2173 (6) | 0.7544 (3) | 0.0407 (16) | |
| H37A | 0.8214 | −0.2798 | 0.7277 | 0.049* | |
| C38 | 0.8670 (2) | −0.0170 (5) | 0.6294 (3) | 0.0339 (13) | |
| H38A | 0.8713 | 0.0005 | 0.5837 | 0.041* | |
| H38B | 0.8680 | 0.0553 | 0.6531 | 0.041* | |
| C39A | 0.9630 (4) | −0.0187 (8) | 0.7212 (6) | 0.049 (2) | 0.788 (11) |
| C40A | 1.0030 (4) | 0.0658 (9) | 0.7095 (7) | 0.061 (3) | 0.788 (11) |
| H40A | 1.0119 | 0.0829 | 0.6668 | 0.073* | 0.788 (11) |
| C41A | 1.0300 (6) | 0.1252 (11) | 0.7607 (9) | 0.070 (3) | 0.788 (11) |
| H41A | 1.0563 | 0.1833 | 0.7519 | 0.084* | 0.788 (11) |
| C42A | 1.0195 (5) | 0.1017 (10) | 0.8222 (8) | 0.070 (3) | 0.788 (11) |
| H42A | 1.0395 | 0.1407 | 0.8560 | 0.084* | 0.788 (11) |
| C43A | 0.9786 (5) | 0.0188 (10) | 0.8361 (6) | 0.070 (3) | 0.788 (11) |
| H43A | 0.9701 | 0.0032 | 0.8791 | 0.084* | 0.788 (11) |
| C44A | 0.9501 (5) | −0.0410 (8) | 0.7846 (6) | 0.058 (3) | 0.788 (11) |
| H44A | 0.9223 | −0.0963 | 0.7934 | 0.069* | 0.788 (11) |
| C39B | 0.971 (3) | −0.014 (6) | 0.690 (3) | 0.075 (8)* | 0.212 (11) |
| C40B | 1.0143 (19) | 0.029 (4) | 0.660 (2) | 0.066 (10)* | 0.212 (11) |
| H40B | 1.0186 | 0.0090 | 0.6171 | 0.079* | 0.212 (11) |
| C41B | 1.056 (2) | 0.106 (4) | 0.691 (3) | 0.075 (8)* | 0.212 (11) |
| H41B | 1.0874 | 0.1295 | 0.6676 | 0.090* | 0.212 (11) |
| C42B | 1.051 (3) | 0.140 (6) | 0.741 (3) | 0.077 (11)* | 0.212 (11) |
| H42B | 1.0719 | 0.2052 | 0.7539 | 0.092* | 0.212 (11) |
| C43B | 1.018 (3) | 0.092 (5) | 0.782 (3) | 0.069 (9)* | 0.212 (11) |
| H43B | 1.0225 | 0.1078 | 0.8265 | 0.083* | 0.212 (11) |
| C44B | 0.973 (2) | 0.013 (4) | 0.756 (3) | 0.065 (8)* | 0.212 (11) |
| H44B | 0.9467 | −0.0194 | 0.7833 | 0.078* | 0.212 (11) |
| C45 | 0.7361 (2) | −0.1166 (5) | 0.4646 (3) | 0.0236 (10) | |
| C46 | 0.8316 (3) | 0.0137 (5) | 0.4562 (3) | 0.0374 (14) | |
| C47 | 0.7636 (3) | 0.2091 (5) | 0.4722 (3) | 0.0326 (13) | |
| C48 | 0.6615 (3) | 0.2591 (5) | 0.5411 (3) | 0.0322 (13) | |
| C49 | 0.5659 (2) | 0.1267 (4) | 0.5333 (3) | 0.0279 (12) | |
| C50 | 0.6223 (2) | −0.0288 (4) | 0.4552 (3) | 0.0250 (11) | |
| C51 | 0.6668 (2) | −0.1098 (5) | 0.5754 (2) | 0.0256 (11) | |
| C52 | 0.6771 (3) | 0.0533 (6) | 0.6688 (3) | 0.0363 (14) | |
| C53 | 0.7619 (3) | 0.1615 (5) | 0.6044 (3) | 0.0356 (14) | |
| Cl1A | 0.9091 (4) | 0.2695 (8) | 0.5442 (4) | 0.0537 (13)* | 0.25 |
| Cl2A | 1.0368 (4) | 0.2562 (8) | 0.5737 (5) | 0.066 (2)* | 0.25 |
| Cl3A | 0.9950 (5) | 0.1735 (10) | 0.4648 (5) | 0.088 (3)* | 0.25 |
| C54A | 0.9738 (6) | 0.190 (3) | 0.5415 (10) | 0.061 (8)* | 0.25 |
| H54A | 0.9689 | 0.1142 | 0.5619 | 0.073* | 0.25 |
| Cl1B | 0.9122 (4) | 0.2591 (8) | 0.5652 (4) | 0.0537 (13)* | 0.25 |
| Cl2B | 1.0312 (7) | 0.2160 (18) | 0.5333 (11) | 0.161 (7)* | 0.25 |
| Cl3B | 0.9727 (3) | 0.3836 (7) | 0.4626 (4) | 0.0537 (7)* | 0.25 |
| C54B | 0.9609 (10) | 0.252 (3) | 0.5020 (16) | 0.15 (2)* | 0.25 |
| H54B | 0.9474 | 0.1944 | 0.4699 | 0.176* | 0.25 |
| Ru1 | 0.0241 (2) | 0.01585 (18) | 0.0278 (2) | −0.00002 (14) | −0.00183 (16) | −0.00130 (16) |
| Ru2 | 0.02351 (19) | 0.01277 (17) | 0.0260 (2) | −0.00059 (14) | −0.00255 (16) | −0.00028 (15) |
| Ru3 | 0.0256 (2) | 0.01866 (19) | 0.0243 (2) | −0.00049 (15) | −0.00546 (16) | −0.00374 (16) |
| As1 | 0.0248 (3) | 0.0184 (2) | 0.0277 (3) | −0.00137 (19) | 0.0010 (2) | 0.0014 (2) |
| As2 | 0.0232 (2) | 0.0125 (2) | 0.0278 (3) | −0.00199 (18) | −0.0019 (2) | 0.0021 (2) |
| P1 | 0.0255 (6) | 0.0175 (6) | 0.0234 (7) | −0.0031 (5) | −0.0036 (5) | −0.0004 (5) |
| S1 | 0.0326 (8) | 0.0445 (10) | 0.0689 (13) | 0.0019 (7) | −0.0148 (8) | 0.0074 (9) |
| O1 | 0.037 (2) | 0.0171 (17) | 0.027 (2) | 0.0008 (15) | −0.0026 (16) | −0.0019 (15) |
| O2 | 0.034 (3) | 0.074 (4) | 0.091 (5) | 0.016 (3) | 0.018 (3) | 0.028 (3) |
| O3 | 0.048 (3) | 0.020 (2) | 0.059 (3) | −0.0072 (18) | −0.009 (2) | −0.002 (2) |
| O4 | 0.054 (3) | 0.024 (2) | 0.057 (3) | −0.0008 (19) | −0.013 (2) | −0.011 (2) |
| O5 | 0.038 (2) | 0.039 (3) | 0.061 (3) | 0.011 (2) | 0.021 (2) | 0.013 (2) |
| O6 | 0.033 (2) | 0.0163 (17) | 0.039 (2) | −0.0027 (14) | −0.0032 (17) | −0.0027 (16) |
| O7 | 0.041 (2) | 0.033 (2) | 0.030 (2) | −0.0149 (18) | −0.0051 (18) | 0.0044 (18) |
| O8 | 0.038 (3) | 0.085 (4) | 0.045 (3) | 0.005 (3) | −0.002 (2) | −0.036 (3) |
| O9 | 0.065 (3) | 0.027 (2) | 0.069 (4) | −0.014 (2) | −0.033 (3) | −0.002 (2) |
| C1 | 0.024 (3) | 0.029 (3) | 0.037 (3) | 0.000 (2) | 0.004 (2) | 0.004 (2) |
| C2 | 0.046 (4) | 0.051 (4) | 0.067 (5) | −0.022 (3) | 0.025 (4) | −0.023 (4) |
| C3 | 0.038 (4) | 0.061 (5) | 0.078 (6) | −0.014 (3) | 0.014 (4) | −0.009 (4) |
| C4 | 0.029 (3) | 0.061 (5) | 0.050 (4) | 0.003 (3) | 0.007 (3) | 0.010 (4) |
| C5 | 0.037 (3) | 0.070 (5) | 0.030 (3) | 0.007 (3) | 0.003 (3) | 0.007 (3) |
| C6 | 0.030 (3) | 0.044 (4) | 0.033 (3) | −0.001 (2) | 0.000 (2) | 0.003 (3) |
| C7 | 0.026 (2) | 0.022 (2) | 0.025 (3) | −0.0020 (19) | −0.001 (2) | −0.004 (2) |
| C8 | 0.033 (3) | 0.031 (3) | 0.033 (3) | 0.002 (2) | −0.002 (2) | 0.002 (2) |
| C9 | 0.038 (3) | 0.053 (4) | 0.031 (3) | 0.000 (3) | −0.009 (3) | −0.001 (3) |
| C10 | 0.033 (3) | 0.044 (4) | 0.030 (3) | −0.013 (3) | 0.004 (2) | −0.006 (3) |
| C11 | 0.045 (3) | 0.032 (3) | 0.029 (3) | −0.013 (3) | 0.004 (3) | −0.002 (3) |
| C12 | 0.036 (3) | 0.027 (3) | 0.023 (3) | −0.003 (2) | −0.001 (2) | −0.001 (2) |
| C13 | 0.026 (2) | 0.014 (2) | 0.035 (3) | −0.0004 (18) | 0.005 (2) | 0.006 (2) |
| C14 | 0.033 (3) | 0.013 (2) | 0.030 (3) | −0.0004 (19) | −0.004 (2) | 0.005 (2) |
| C15 | 0.034 (3) | 0.023 (3) | 0.024 (3) | 0.000 (2) | 0.002 (2) | 0.000 (2) |
| C16 | 0.042 (3) | 0.024 (3) | 0.025 (3) | 0.010 (2) | 0.001 (2) | −0.002 (2) |
| C17 | 0.053 (4) | 0.013 (2) | 0.042 (4) | 0.002 (2) | −0.001 (3) | 0.000 (2) |
| C18 | 0.046 (4) | 0.016 (3) | 0.089 (6) | −0.008 (3) | 0.002 (4) | −0.008 (3) |
| C19 | 0.033 (3) | 0.017 (3) | 0.089 (6) | −0.005 (2) | 0.006 (3) | −0.009 (3) |
| C20 | 0.027 (2) | 0.016 (2) | 0.024 (3) | 0.0016 (18) | −0.003 (2) | −0.001 (2) |
| C21 | 0.029 (3) | 0.024 (3) | 0.031 (3) | −0.001 (2) | 0.000 (2) | 0.005 (2) |
| C22 | 0.038 (3) | 0.035 (3) | 0.026 (3) | 0.005 (2) | −0.002 (2) | −0.003 (2) |
| C23 | 0.031 (3) | 0.027 (3) | 0.032 (3) | 0.002 (2) | −0.007 (2) | −0.010 (2) |
| C24 | 0.036 (3) | 0.019 (3) | 0.041 (3) | −0.004 (2) | −0.008 (3) | −0.005 (2) |
| C25 | 0.032 (3) | 0.018 (2) | 0.027 (3) | −0.0022 (19) | −0.003 (2) | 0.004 (2) |
| C26 | 0.032 (3) | 0.023 (3) | 0.027 (3) | 0.001 (2) | −0.008 (2) | 0.001 (2) |
| C27 | 0.050 (4) | 0.021 (3) | 0.030 (3) | −0.009 (2) | −0.007 (3) | 0.006 (2) |
| C28 | 0.088 (6) | 0.025 (3) | 0.039 (4) | −0.009 (3) | −0.026 (4) | 0.000 (3) |
| C29 | 0.116 (8) | 0.025 (3) | 0.048 (5) | 0.009 (4) | −0.038 (5) | −0.011 (3) |
| C30 | 0.073 (5) | 0.044 (4) | 0.041 (4) | 0.030 (4) | −0.015 (4) | −0.017 (3) |
| C31 | 0.045 (3) | 0.034 (3) | 0.032 (3) | 0.013 (3) | −0.007 (3) | −0.002 (3) |
| C32 | 0.026 (3) | 0.047 (4) | 0.032 (3) | −0.010 (2) | −0.010 (2) | 0.008 (3) |
| C33 | 0.033 (3) | 0.059 (4) | 0.043 (4) | 0.009 (3) | −0.009 (3) | 0.002 (3) |
| C34 | 0.046 (4) | 0.106 (8) | 0.035 (4) | −0.001 (4) | −0.001 (3) | −0.025 (5) |
| C35 | 0.062 (5) | 0.108 (8) | 0.027 (4) | −0.037 (5) | −0.009 (3) | 0.010 (4) |
| C36 | 0.084 (6) | 0.066 (5) | 0.032 (4) | −0.041 (5) | −0.018 (4) | 0.018 (4) |
| C37 | 0.054 (4) | 0.038 (3) | 0.028 (3) | −0.019 (3) | −0.013 (3) | 0.006 (3) |
| C38 | 0.026 (3) | 0.030 (3) | 0.045 (4) | −0.004 (2) | −0.007 (3) | 0.011 (3) |
| C39A | 0.031 (4) | 0.030 (4) | 0.082 (6) | 0.000 (3) | −0.034 (5) | 0.006 (5) |
| C40A | 0.045 (5) | 0.051 (5) | 0.086 (6) | −0.008 (4) | −0.019 (5) | 0.012 (5) |
| C41A | 0.049 (7) | 0.043 (6) | 0.115 (8) | −0.009 (5) | −0.018 (7) | −0.002 (6) |
| C42A | 0.056 (6) | 0.052 (6) | 0.099 (7) | 0.004 (4) | −0.046 (6) | −0.015 (6) |
| C43A | 0.074 (7) | 0.056 (6) | 0.077 (6) | −0.002 (5) | −0.034 (5) | −0.003 (5) |
| C44A | 0.054 (5) | 0.039 (5) | 0.077 (6) | −0.006 (4) | −0.025 (5) | −0.003 (5) |
| C45 | 0.028 (3) | 0.024 (3) | 0.019 (2) | 0.001 (2) | 0.001 (2) | −0.002 (2) |
| C46 | 0.039 (3) | 0.026 (3) | 0.047 (4) | 0.001 (2) | 0.003 (3) | 0.011 (3) |
| C47 | 0.033 (3) | 0.026 (3) | 0.037 (3) | −0.001 (2) | −0.007 (3) | −0.006 (2) |
| C48 | 0.035 (3) | 0.024 (3) | 0.036 (3) | 0.000 (2) | −0.008 (3) | 0.001 (2) |
| C49 | 0.034 (3) | 0.016 (2) | 0.033 (3) | 0.002 (2) | 0.002 (2) | 0.006 (2) |
| C50 | 0.027 (2) | 0.021 (2) | 0.027 (3) | 0.0041 (19) | −0.001 (2) | 0.005 (2) |
| C51 | 0.027 (3) | 0.037 (3) | 0.013 (2) | −0.002 (2) | −0.001 (2) | 0.001 (2) |
| C52 | 0.026 (3) | 0.043 (3) | 0.038 (3) | 0.003 (2) | −0.006 (3) | −0.018 (3) |
| C53 | 0.038 (3) | 0.023 (3) | 0.044 (4) | −0.002 (2) | −0.014 (3) | 0.002 (3) |
| Ru1—C46 | 1.872 (7) | C18—C19 | 1.401 (8) |
| Ru1—C47 | 1.920 (6) | C18—H18A | 0.9300 |
| Ru1—C45 | 1.926 (5) | C19—H19A | 0.9300 |
| Ru1—As1 | 2.4492 (7) | C20—C21 | 1.384 (7) |
| Ru1—Ru2 | 2.8598 (6) | C20—C25 | 1.387 (7) |
| Ru1—Ru3 | 2.8702 (6) | C21—C22 | 1.385 (8) |
| Ru2—C49 | 1.890 (6) | C21—H21A | 0.9300 |
| Ru2—C48 | 1.932 (6) | C22—C23 | 1.371 (8) |
| Ru2—C50 | 1.935 (5) | C22—H22A | 0.9300 |
| Ru2—As2 | 2.4364 (7) | C23—C24 | 1.393 (9) |
| Ru2—Ru3 | 2.8478 (6) | C23—H23A | 0.9300 |
| Ru3—C52 | 1.873 (7) | C24—C25 | 1.384 (7) |
| Ru3—C53 | 1.925 (6) | C24—H24A | 0.9300 |
| Ru3—C51 | 1.943 (6) | C25—H25A | 0.9300 |
| Ru3—P1 | 2.3415 (14) | C26—C31 | 1.393 (9) |
| As1—C7 | 1.946 (5) | C26—C27 | 1.397 (8) |
| As1—C1 | 1.951 (6) | C27—C28 | 1.385 (9) |
| As1—C13 | 1.966 (5) | C27—H27A | 0.9300 |
| As2—C20 | 1.944 (5) | C28—C29 | 1.369 (13) |
| As2—C14 | 1.948 (5) | C28—H28A | 0.9300 |
| As2—C13 | 1.959 (5) | C29—C30 | 1.359 (12) |
| P1—C26 | 1.815 (6) | C29—H29A | 0.9300 |
| P1—C32 | 1.835 (6) | C30—C31 | 1.404 (9) |
| P1—C38 | 1.861 (6) | C30—H30A | 0.9300 |
| S1—C39B | 1.55 (7) | C31—H31A | 0.9300 |
| S1—C39A | 1.775 (11) | C32—C33 | 1.359 (10) |
| S1—C38 | 1.822 (6) | C32—C37 | 1.405 (9) |
| O1—C45 | 1.150 (6) | C33—C34 | 1.402 (10) |
| O2—C46 | 1.152 (8) | C33—H33A | 0.9300 |
| O3—C47 | 1.153 (7) | C34—C35 | 1.373 (13) |
| O4—C48 | 1.143 (7) | C34—H34A | 0.9300 |
| O5—C49 | 1.143 (7) | C35—C36 | 1.370 (13) |
| O6—C50 | 1.144 (6) | C35—H35A | 0.9300 |
| O7—C51 | 1.141 (7) | C36—C37 | 1.398 (9) |
| O8—C52 | 1.159 (8) | C36—H36A | 0.9300 |
| O9—C53 | 1.148 (7) | C37—H37A | 0.9300 |
| C1—C2 | 1.369 (8) | C38—H38A | 0.9700 |
| C1—C6 | 1.379 (9) | C38—H38B | 0.9700 |
| C2—C3 | 1.396 (10) | C39A—C44A | 1.372 (18) |
| C2—H2A | 0.9300 | C39A—C40A | 1.374 (15) |
| C3—C4 | 1.359 (11) | C40A—C41A | 1.378 (18) |
| C3—H3A | 0.9300 | C40A—H40A | 0.9300 |
| C4—C5 | 1.381 (10) | C41A—C42A | 1.32 (2) |
| C4—H4A | 0.9300 | C41A—H41A | 0.9300 |
| C5—C6 | 1.379 (9) | C42A—C43A | 1.386 (18) |
| C5—H5A | 0.9300 | C42A—H42A | 0.9300 |
| C6—H6A | 0.9300 | C43A—C44A | 1.398 (14) |
| C7—C12 | 1.386 (7) | C43A—H43A | 0.9300 |
| C7—C8 | 1.393 (8) | C44A—H44A | 0.9300 |
| C8—C9 | 1.388 (9) | C39B—C40B | 1.30 (7) |
| C8—H8A | 0.9300 | C39B—C44B | 1.38 (7) |
| C9—C10 | 1.379 (9) | C40B—C41B | 1.42 (6) |
| C9—H9A | 0.9300 | C40B—H40B | 0.9300 |
| C10—C11 | 1.374 (9) | C41B—C42B | 1.11 (7) |
| C10—H10A | 0.9300 | C41B—H41B | 0.9300 |
| C11—C12 | 1.391 (8) | C42B—C43B | 1.28 (7) |
| C11—H11A | 0.9300 | C42B—H42B | 0.9300 |
| C12—H12A | 0.9300 | C43B—C44B | 1.46 (8) |
| C13—H13A | 0.9700 | C43B—H43B | 0.9300 |
| C13—H13B | 0.9700 | C44B—H44B | 0.9300 |
| C14—C19 | 1.373 (8) | Cl1A—C54A | 1.755 (16) |
| C14—C15 | 1.381 (8) | Cl2A—C54A | 1.744 (16) |
| C15—C16 | 1.395 (7) | Cl3A—C54A | 1.681 (17) |
| C15—H15A | 0.9300 | C54A—H54A | 0.9800 |
| C16—C17 | 1.366 (8) | Cl1B—C54B | 1.756 (18) |
| C16—H16A | 0.9300 | Cl2B—C54B | 1.761 (18) |
| C17—C18 | 1.354 (10) | Cl3B—C54B | 1.753 (19) |
| C17—H17A | 0.9300 | C54B—H54B | 0.9800 |
| C46—Ru1—C47 | 94.4 (3) | C19—C18—H18A | 119.9 |
| C46—Ru1—C45 | 89.7 (2) | C14—C19—C18 | 120.1 (6) |
| C47—Ru1—C45 | 170.9 (2) | C14—C19—H19A | 119.9 |
| C46—Ru1—As1 | 99.1 (2) | C18—C19—H19A | 119.9 |
| C47—Ru1—As1 | 86.75 (18) | C21—C20—C25 | 119.8 (5) |
| C45—Ru1—As1 | 100.64 (15) | C21—C20—As2 | 120.8 (4) |
| C46—Ru1—Ru2 | 167.7 (2) | C25—C20—As2 | 119.3 (4) |
| C47—Ru1—Ru2 | 78.55 (18) | C20—C21—C22 | 119.9 (5) |
| C45—Ru1—Ru2 | 95.89 (16) | C20—C21—H21A | 120.0 |
| As1—Ru1—Ru2 | 90.56 (2) | C22—C21—H21A | 120.0 |
| C46—Ru1—Ru3 | 111.1 (2) | C23—C22—C21 | 120.4 (6) |
| C47—Ru1—Ru3 | 91.73 (19) | C23—C22—H22A | 119.8 |
| C45—Ru1—Ru3 | 79.18 (16) | C21—C22—H22A | 119.8 |
| As1—Ru1—Ru3 | 149.72 (2) | C22—C23—C24 | 120.0 (5) |
| Ru2—Ru1—Ru3 | 59.602 (15) | C22—C23—H23A | 120.0 |
| C49—Ru2—C48 | 89.1 (3) | C24—C23—H23A | 120.0 |
| C49—Ru2—C50 | 93.1 (2) | C25—C24—C23 | 119.7 (5) |
| C48—Ru2—C50 | 174.3 (2) | C25—C24—H24A | 120.1 |
| C49—Ru2—As2 | 100.44 (16) | C23—C24—H24A | 120.1 |
| C48—Ru2—As2 | 91.48 (18) | C24—C25—C20 | 120.0 (5) |
| C50—Ru2—As2 | 93.30 (16) | C24—C25—H25A | 120.0 |
| C49—Ru2—Ru3 | 105.65 (17) | C20—C25—H25A | 120.0 |
| C48—Ru2—Ru3 | 81.14 (17) | C31—C26—C27 | 119.7 (6) |
| C50—Ru2—Ru3 | 93.17 (15) | C31—C26—P1 | 121.7 (5) |
| As2—Ru2—Ru3 | 152.70 (2) | C27—C26—P1 | 118.5 (5) |
| C49—Ru2—Ru1 | 162.64 (16) | C28—C27—C26 | 119.8 (7) |
| C48—Ru2—Ru1 | 98.13 (18) | C28—C27—H27A | 120.1 |
| C50—Ru2—Ru1 | 78.30 (16) | C26—C27—H27A | 120.1 |
| As2—Ru2—Ru1 | 95.16 (2) | C29—C28—C27 | 120.7 (7) |
| Ru3—Ru2—Ru1 | 60.382 (15) | C29—C28—H28A | 119.7 |
| C52—Ru3—C53 | 91.4 (3) | C27—C28—H28A | 119.7 |
| C52—Ru3—C51 | 89.8 (2) | C30—C29—C28 | 120.0 (7) |
| C53—Ru3—C51 | 174.6 (2) | C30—C29—H29A | 120.0 |
| C52—Ru3—P1 | 99.78 (19) | C28—C29—H29A | 120.0 |
| C53—Ru3—P1 | 90.13 (17) | C29—C30—C31 | 121.4 (8) |
| C51—Ru3—P1 | 94.84 (16) | C29—C30—H30A | 119.3 |
| C52—Ru3—Ru2 | 101.10 (19) | C31—C30—H30A | 119.3 |
| C53—Ru3—Ru2 | 94.15 (17) | C26—C31—C30 | 118.4 (7) |
| C51—Ru3—Ru2 | 80.47 (15) | C26—C31—H31A | 120.8 |
| P1—Ru3—Ru2 | 158.56 (4) | C30—C31—H31A | 120.8 |
| C52—Ru3—Ru1 | 159.0 (2) | C33—C32—C37 | 118.8 (6) |
| C53—Ru3—Ru1 | 81.7 (2) | C33—C32—P1 | 118.8 (5) |
| C51—Ru3—Ru1 | 95.31 (15) | C37—C32—P1 | 122.3 (5) |
| P1—Ru3—Ru1 | 100.01 (4) | C32—C33—C34 | 121.7 (7) |
| Ru2—Ru3—Ru1 | 60.017 (15) | C32—C33—H33A | 119.1 |
| C7—As1—C1 | 102.1 (2) | C34—C33—H33A | 119.1 |
| C7—As1—C13 | 102.7 (2) | C35—C34—C33 | 119.4 (8) |
| C1—As1—C13 | 101.3 (2) | C35—C34—H34A | 120.3 |
| C7—As1—Ru1 | 123.75 (16) | C33—C34—H34A | 120.3 |
| C1—As1—Ru1 | 114.40 (17) | C36—C35—C34 | 119.9 (7) |
| C13—As1—Ru1 | 109.86 (17) | C36—C35—H35A | 120.0 |
| C20—As2—C14 | 101.4 (2) | C34—C35—H35A | 120.0 |
| C20—As2—C13 | 101.2 (2) | C35—C36—C37 | 120.9 (8) |
| C14—As2—C13 | 103.6 (2) | C35—C36—H36A | 119.5 |
| C20—As2—Ru2 | 120.55 (15) | C37—C36—H36A | 119.5 |
| C14—As2—Ru2 | 114.75 (17) | C36—C37—C32 | 119.3 (7) |
| C13—As2—Ru2 | 113.13 (15) | C36—C37—H37A | 120.4 |
| C26—P1—C32 | 103.8 (3) | C32—C37—H37A | 120.4 |
| C26—P1—C38 | 105.0 (3) | S1—C38—P1 | 114.7 (3) |
| C32—P1—C38 | 99.7 (3) | S1—C38—H38A | 108.6 |
| C26—P1—Ru3 | 114.58 (17) | P1—C38—H38A | 108.6 |
| C32—P1—Ru3 | 118.0 (2) | S1—C38—H38B | 108.6 |
| C38—P1—Ru3 | 113.85 (18) | P1—C38—H38B | 108.6 |
| C39B—S1—C39A | 22 (2) | H38A—C38—H38B | 107.6 |
| C39B—S1—C38 | 103 (2) | C44A—C39A—C40A | 118.6 (11) |
| C39A—S1—C38 | 103.6 (4) | C44A—C39A—S1 | 118.1 (8) |
| C2—C1—C6 | 119.1 (6) | C40A—C39A—S1 | 123.3 (11) |
| C2—C1—As1 | 118.5 (5) | C39A—C40A—C41A | 120.3 (14) |
| C6—C1—As1 | 122.2 (4) | C39A—C40A—H40A | 119.9 |
| C1—C2—C3 | 120.3 (7) | C41A—C40A—H40A | 119.9 |
| C1—C2—H2A | 119.8 | C42A—C41A—C40A | 121.7 (14) |
| C3—C2—H2A | 119.8 | C42A—C41A—H41A | 119.1 |
| C4—C3—C2 | 120.7 (7) | C40A—C41A—H41A | 119.1 |
| C4—C3—H3A | 119.6 | C41A—C42A—C43A | 119.8 (12) |
| C2—C3—H3A | 119.6 | C41A—C42A—H42A | 120.1 |
| C3—C4—C5 | 118.7 (7) | C43A—C42A—H42A | 120.1 |
| C3—C4—H4A | 120.6 | C42A—C43A—C44A | 119.1 (13) |
| C5—C4—H4A | 120.6 | C42A—C43A—H43A | 120.4 |
| C6—C5—C4 | 121.0 (7) | C44A—C43A—H43A | 120.4 |
| C6—C5—H5A | 119.5 | C39A—C44A—C43A | 120.4 (11) |
| C4—C5—H5A | 119.5 | C39A—C44A—H44A | 119.8 |
| C5—C6—C1 | 120.1 (6) | C43A—C44A—H44A | 119.8 |
| C5—C6—H6A | 120.0 | C40B—C39B—C44B | 112 (6) |
| C1—C6—H6A | 120.0 | C40B—C39B—S1 | 123 (5) |
| C12—C7—C8 | 119.4 (5) | C44B—C39B—S1 | 124 (5) |
| C12—C7—As1 | 119.7 (4) | C39B—C40B—C41B | 123 (5) |
| C8—C7—As1 | 120.9 (4) | C39B—C40B—H40B | 118.3 |
| C9—C8—C7 | 119.6 (6) | C41B—C40B—H40B | 118.3 |
| C9—C8—H8A | 120.2 | C42B—C41B—C40B | 122 (6) |
| C7—C8—H8A | 120.2 | C42B—C41B—H41B | 119.0 |
| C10—C9—C8 | 120.6 (6) | C40B—C41B—H41B | 119.0 |
| C10—C9—H9A | 119.7 | C41B—C42B—C43B | 123 (7) |
| C8—C9—H9A | 119.7 | C41B—C42B—H42B | 118.5 |
| C11—C10—C9 | 120.0 (6) | C43B—C42B—H42B | 118.5 |
| C11—C10—H10A | 120.0 | C42B—C43B—C44B | 117 (6) |
| C9—C10—H10A | 120.0 | C42B—C43B—H43B | 121.3 |
| C10—C11—C12 | 120.0 (6) | C44B—C43B—H43B | 121.3 |
| C10—C11—H11A | 120.0 | C39B—C44B—C43B | 119 (5) |
| C12—C11—H11A | 120.0 | C39B—C44B—H44B | 120.3 |
| C7—C12—C11 | 120.4 (5) | C43B—C44B—H44B | 120.3 |
| C7—C12—H12A | 119.8 | O1—C45—Ru1 | 173.9 (5) |
| C11—C12—H12A | 119.8 | O2—C46—Ru1 | 178.0 (6) |
| As2—C13—As1 | 109.2 (2) | O3—C47—Ru1 | 172.2 (6) |
| As2—C13—H13A | 109.8 | O4—C48—Ru2 | 173.1 (5) |
| As1—C13—H13A | 109.8 | O5—C49—Ru2 | 179.3 (6) |
| As2—C13—H13B | 109.8 | O6—C50—Ru2 | 174.9 (5) |
| As1—C13—H13B | 109.8 | O7—C51—Ru3 | 174.5 (5) |
| H13A—C13—H13B | 108.3 | O8—C52—Ru3 | 178.6 (6) |
| C19—C14—C15 | 119.4 (5) | O9—C53—Ru3 | 173.8 (6) |
| C19—C14—As2 | 121.5 (4) | Cl3A—C54A—Cl2A | 97.4 (11) |
| C15—C14—As2 | 118.8 (4) | Cl3A—C54A—Cl1A | 112.0 (14) |
| C14—C15—C16 | 119.6 (5) | Cl2A—C54A—Cl1A | 116.4 (14) |
| C14—C15—H15A | 120.2 | Cl3A—C54A—H54A | 110.1 |
| C16—C15—H15A | 120.2 | Cl2A—C54A—H54A | 110.1 |
| C17—C16—C15 | 120.6 (6) | Cl1A—C54A—H54A | 110.1 |
| C17—C16—H16A | 119.7 | Cl3B—C54B—Cl1B | 114.8 (17) |
| C15—C16—H16A | 119.7 | Cl3B—C54B—Cl2B | 102.4 (15) |
| C18—C17—C16 | 120.1 (5) | Cl1B—C54B—Cl2B | 110.5 (17) |
| C18—C17—H17A | 119.9 | Cl3B—C54B—H54B | 109.6 |
| C16—C17—H17A | 119.9 | Cl1B—C54B—H54B | 109.6 |
| C17—C18—C19 | 120.2 (6) | Cl2B—C54B—H54B | 109.6 |
| C17—C18—H18A | 119.9 | ||
| C46—Ru1—Ru2—C49 | −82.0 (11) | C13—As1—C1—C2 | 64.8 (6) |
| C47—Ru1—Ru2—C49 | −137.8 (6) | Ru1—As1—C1—C2 | −53.3 (6) |
| C45—Ru1—Ru2—C49 | 34.9 (6) | C7—As1—C1—C6 | −13.9 (5) |
| As1—Ru1—Ru2—C49 | 135.7 (6) | C13—As1—C1—C6 | −119.7 (5) |
| Ru3—Ru1—Ru2—C49 | −38.9 (6) | Ru1—As1—C1—C6 | 122.2 (5) |
| C46—Ru1—Ru2—C48 | 31.8 (9) | C6—C1—C2—C3 | 0.5 (11) |
| C47—Ru1—Ru2—C48 | −24.0 (3) | As1—C1—C2—C3 | 176.2 (6) |
| C45—Ru1—Ru2—C48 | 148.7 (2) | C1—C2—C3—C4 | −1.1 (13) |
| As1—Ru1—Ru2—C48 | −110.55 (18) | C2—C3—C4—C5 | 0.8 (12) |
| Ru3—Ru1—Ru2—C48 | 74.92 (18) | C3—C4—C5—C6 | 0.1 (11) |
| C46—Ru1—Ru2—C50 | −143.6 (9) | C4—C5—C6—C1 | −0.7 (10) |
| C47—Ru1—Ru2—C50 | 160.6 (2) | C2—C1—C6—C5 | 0.4 (10) |
| C45—Ru1—Ru2—C50 | −26.7 (2) | As1—C1—C6—C5 | −175.1 (5) |
| As1—Ru1—Ru2—C50 | 74.01 (16) | C1—As1—C7—C12 | 107.6 (5) |
| Ru3—Ru1—Ru2—C50 | −100.53 (16) | C13—As1—C7—C12 | −147.7 (5) |
| C46—Ru1—Ru2—As2 | 124.0 (9) | Ru1—As1—C7—C12 | −23.0 (5) |
| C47—Ru1—Ru2—As2 | 68.27 (19) | C1—As1—C7—C8 | −72.4 (5) |
| C45—Ru1—Ru2—As2 | −119.06 (15) | C13—As1—C7—C8 | 32.3 (5) |
| As1—Ru1—Ru2—As2 | −18.31 (2) | Ru1—As1—C7—C8 | 157.0 (4) |
| Ru3—Ru1—Ru2—As2 | 167.16 (2) | C12—C7—C8—C9 | 0.2 (9) |
| C46—Ru1—Ru2—Ru3 | −43.1 (9) | As1—C7—C8—C9 | −179.9 (5) |
| C47—Ru1—Ru2—Ru3 | −98.89 (19) | C7—C8—C9—C10 | 1.9 (10) |
| C45—Ru1—Ru2—Ru3 | 73.78 (15) | C8—C9—C10—C11 | −2.8 (10) |
| As1—Ru1—Ru2—Ru3 | 174.54 (2) | C9—C10—C11—C12 | 1.6 (10) |
| C49—Ru2—Ru3—C52 | −21.0 (3) | C8—C7—C12—C11 | −1.4 (9) |
| C48—Ru2—Ru3—C52 | 65.6 (3) | As1—C7—C12—C11 | 178.7 (5) |
| C50—Ru2—Ru3—C52 | −115.1 (3) | C10—C11—C12—C7 | 0.5 (9) |
| As2—Ru2—Ru3—C52 | 141.4 (2) | C20—As2—C13—As1 | −95.6 (3) |
| Ru1—Ru2—Ru3—C52 | 170.2 (2) | C14—As2—C13—As1 | 159.7 (3) |
| C49—Ru2—Ru3—C53 | −113.2 (3) | Ru2—As2—C13—As1 | 34.8 (3) |
| C48—Ru2—Ru3—C53 | −26.7 (3) | C7—As1—C13—As2 | 81.0 (3) |
| C50—Ru2—Ru3—C53 | 152.6 (3) | C1—As1—C13—As2 | −173.7 (3) |
| As2—Ru2—Ru3—C53 | 49.1 (2) | Ru1—As1—C13—As2 | −52.4 (3) |
| Ru1—Ru2—Ru3—C53 | 78.0 (2) | C20—As2—C14—C19 | −145.9 (6) |
| C49—Ru2—Ru3—C51 | 66.9 (2) | C13—As2—C14—C19 | −41.3 (6) |
| C48—Ru2—Ru3—C51 | 153.5 (3) | Ru2—As2—C14—C19 | 82.6 (6) |
| C50—Ru2—Ru3—C51 | −27.2 (2) | C20—As2—C14—C15 | 40.4 (5) |
| As2—Ru2—Ru3—C51 | −130.70 (17) | C13—As2—C14—C15 | 145.0 (5) |
| Ru1—Ru2—Ru3—C51 | −101.85 (16) | Ru2—As2—C14—C15 | −91.1 (4) |
| C49—Ru2—Ru3—P1 | 145.8 (2) | C19—C14—C15—C16 | −0.7 (9) |
| C48—Ru2—Ru3—P1 | −127.7 (2) | As2—C14—C15—C16 | 173.1 (4) |
| C50—Ru2—Ru3—P1 | 51.6 (2) | C14—C15—C16—C17 | 0.4 (9) |
| As2—Ru2—Ru3—P1 | −51.88 (12) | C15—C16—C17—C18 | 0.5 (10) |
| Ru1—Ru2—Ru3—P1 | −23.03 (10) | C16—C17—C18—C19 | −1.1 (12) |
| C49—Ru2—Ru3—Ru1 | 168.78 (17) | C15—C14—C19—C18 | 0.2 (11) |
| C48—Ru2—Ru3—Ru1 | −104.7 (2) | As2—C14—C19—C18 | −173.5 (6) |
| C50—Ru2—Ru3—Ru1 | 74.62 (17) | C17—C18—C19—C14 | 0.8 (12) |
| As2—Ru2—Ru3—Ru1 | −28.85 (5) | C14—As2—C20—C21 | 56.9 (5) |
| C46—Ru1—Ru3—C52 | 143.3 (5) | C13—As2—C20—C21 | −49.6 (5) |
| C47—Ru1—Ru3—C52 | 47.9 (5) | Ru2—As2—C20—C21 | −175.1 (4) |
| C45—Ru1—Ru3—C52 | −131.2 (5) | C14—As2—C20—C25 | −124.5 (4) |
| As1—Ru1—Ru3—C52 | −38.6 (5) | C13—As2—C20—C25 | 129.0 (4) |
| Ru2—Ru1—Ru3—C52 | −27.8 (5) | Ru2—As2—C20—C25 | 3.4 (5) |
| C46—Ru1—Ru3—C53 | 71.4 (3) | C25—C20—C21—C22 | −1.6 (8) |
| C47—Ru1—Ru3—C53 | −24.0 (2) | As2—C20—C21—C22 | 176.9 (4) |
| C45—Ru1—Ru3—C53 | 156.8 (2) | C20—C21—C22—C23 | −0.8 (9) |
| As1—Ru1—Ru3—C53 | −110.57 (18) | C21—C22—C23—C24 | 2.5 (9) |
| Ru2—Ru1—Ru3—C53 | −99.69 (17) | C22—C23—C24—C25 | −1.7 (9) |
| C46—Ru1—Ru3—C51 | −113.2 (3) | C23—C24—C25—C20 | −0.7 (9) |
| C47—Ru1—Ru3—C51 | 151.4 (2) | C21—C20—C25—C24 | 2.4 (8) |
| C45—Ru1—Ru3—C51 | −27.7 (2) | As2—C20—C25—C24 | −176.2 (4) |
| As1—Ru1—Ru3—C51 | 64.89 (17) | C32—P1—C26—C31 | −122.1 (5) |
| Ru2—Ru1—Ru3—C51 | 75.77 (16) | C38—P1—C26—C31 | −17.8 (5) |
| C46—Ru1—Ru3—P1 | −17.3 (2) | Ru3—P1—C26—C31 | 107.8 (4) |
| C47—Ru1—Ru3—P1 | −112.71 (17) | C32—P1—C26—C27 | 61.4 (5) |
| C45—Ru1—Ru3—P1 | 68.16 (16) | C38—P1—C26—C27 | 165.6 (4) |
| As1—Ru1—Ru3—P1 | 160.77 (5) | Ru3—P1—C26—C27 | −68.7 (5) |
| Ru2—Ru1—Ru3—P1 | 171.65 (4) | C31—C26—C27—C28 | 1.0 (8) |
| C46—Ru1—Ru3—Ru2 | 171.0 (2) | P1—C26—C27—C28 | 177.6 (5) |
| C47—Ru1—Ru3—Ru2 | 75.64 (17) | C26—C27—C28—C29 | 0.2 (9) |
| C45—Ru1—Ru3—Ru2 | −103.49 (16) | C27—C28—C29—C30 | −0.4 (11) |
| As1—Ru1—Ru3—Ru2 | −10.89 (4) | C28—C29—C30—C31 | −0.7 (11) |
| C46—Ru1—As1—C7 | 107.2 (3) | C27—C26—C31—C30 | −2.0 (8) |
| C47—Ru1—As1—C7 | −158.9 (3) | P1—C26—C31—C30 | −178.5 (5) |
| C45—Ru1—As1—C7 | 15.7 (3) | C29—C30—C31—C26 | 1.9 (10) |
| Ru2—Ru1—As1—C7 | −80.36 (19) | C26—P1—C32—C33 | −173.6 (5) |
| Ru3—Ru1—As1—C7 | −71.0 (2) | C38—P1—C32—C33 | 78.1 (5) |
| C46—Ru1—As1—C1 | −18.2 (3) | Ru3—P1—C32—C33 | −45.6 (5) |
| C47—Ru1—As1—C1 | 75.7 (3) | C26—P1—C32—C37 | 10.4 (6) |
| C45—Ru1—As1—C1 | −109.7 (2) | C38—P1—C32—C37 | −97.9 (5) |
| Ru2—Ru1—As1—C1 | 154.23 (19) | Ru3—P1—C32—C37 | 138.4 (5) |
| Ru3—Ru1—As1—C1 | 163.60 (19) | C37—C32—C33—C34 | −0.1 (10) |
| C46—Ru1—As1—C13 | −131.3 (2) | P1—C32—C33—C34 | −176.2 (6) |
| C47—Ru1—As1—C13 | −37.4 (2) | C32—C33—C34—C35 | −1.1 (11) |
| C45—Ru1—As1—C13 | 137.2 (2) | C33—C34—C35—C36 | 0.9 (12) |
| Ru2—Ru1—As1—C13 | 41.14 (16) | C34—C35—C36—C37 | 0.6 (12) |
| Ru3—Ru1—As1—C13 | 50.51 (17) | C35—C36—C37—C32 | −1.8 (11) |
| C49—Ru2—As2—C20 | −58.0 (2) | C33—C32—C37—C36 | 1.5 (10) |
| C48—Ru2—As2—C20 | −147.4 (3) | P1—C32—C37—C36 | 177.5 (5) |
| C50—Ru2—As2—C20 | 35.8 (2) | C39B—S1—C38—P1 | −142 (2) |
| Ru3—Ru2—As2—C20 | 139.24 (18) | C39A—S1—C38—P1 | −119.5 (5) |
| Ru1—Ru2—As2—C20 | 114.33 (18) | C26—P1—C38—S1 | −49.4 (4) |
| C49—Ru2—As2—C14 | 63.6 (2) | C32—P1—C38—S1 | 57.8 (4) |
| C48—Ru2—As2—C14 | −25.8 (3) | Ru3—P1—C38—S1 | −175.6 (3) |
| C50—Ru2—As2—C14 | 157.4 (2) | C39B—S1—C39A—C44A | −172 (7) |
| Ru3—Ru2—As2—C14 | −99.15 (19) | C38—S1—C39A—C44A | 97.0 (8) |
| Ru1—Ru2—As2—C14 | −124.06 (18) | C39B—S1—C39A—C40A | 6(7) |
| C49—Ru2—As2—C13 | −177.8 (2) | C38—S1—C39A—C40A | −85.4 (9) |
| C48—Ru2—As2—C13 | 92.8 (3) | C44A—C39A—C40A—C41A | 0.9 (16) |
| C50—Ru2—As2—C13 | −84.0 (2) | S1—C39A—C40A—C41A | −176.7 (9) |
| Ru3—Ru2—As2—C13 | 19.45 (18) | C39A—C40A—C41A—C42A | 1.5 (18) |
| Ru1—Ru2—As2—C13 | −5.47 (17) | C40A—C41A—C42A—C43A | −2.8 (18) |
| C52—Ru3—P1—C26 | 122.3 (3) | C41A—C42A—C43A—C44A | 1.8 (17) |
| C53—Ru3—P1—C26 | −146.3 (3) | C40A—C39A—C44A—C43A | −1.8 (15) |
| C51—Ru3—P1—C26 | 31.6 (3) | S1—C39A—C44A—C43A | 175.9 (8) |
| Ru2—Ru3—P1—C26 | −44.5 (3) | C42A—C43A—C44A—C39A | 0.5 (16) |
| Ru1—Ru3—P1—C26 | −64.7 (2) | C39A—S1—C39B—C40B | 168 (12) |
| C52—Ru3—P1—C32 | −0.5 (3) | C38—S1—C39B—C40B | −98 (6) |
| C53—Ru3—P1—C32 | 91.0 (3) | C39A—S1—C39B—C44B | 0(3) |
| C51—Ru3—P1—C32 | −91.1 (3) | C38—S1—C39B—C44B | 94 (6) |
| Ru2—Ru3—P1—C32 | −167.3 (2) | C44B—C39B—C40B—C41B | −7(8) |
| Ru1—Ru3—P1—C32 | 172.6 (2) | S1—C39B—C40B—C41B | −176 (4) |
| C52—Ru3—P1—C38 | −116.8 (3) | C39B—C40B—C41B—C42B | −5(9) |
| C53—Ru3—P1—C38 | −25.4 (3) | C40B—C41B—C42B—C43B | 18 (11) |
| C51—Ru3—P1—C38 | 152.5 (3) | C41B—C42B—C43B—C44B | −18 (11) |
| Ru2—Ru3—P1—C38 | 76.4 (3) | C40B—C39B—C44B—C43B | 6(8) |
| Ru1—Ru3—P1—C38 | 56.3 (2) | S1—C39B—C44B—C43B | 175 (5) |
| C7—As1—C1—C2 | 170.6 (6) | C42B—C43B—C44B—C39B | 5(9) |
| Cg1, Cg2 and Cg3 are the centroids of the C39A–C44A, C14–C19 and C32–C37benzene rings, respectively. |
| H··· | ||||
| C18—H18A···O1i | 0.93 | 2.53 | 3.457 (7) | 175 |
| C29—H29A···O3ii | 0.93 | 2.45 | 3.331 (9) | 158 |
| C3—H3A···Cg1iii | 0.93 | 2.82 | 3.654 (9) | 151 |
| C23—H23A···Cg2iv | 0.93 | 2.87 | 3.691 (7) | 147 |
| C44A—H44A···Cg3 | 0.93 | 2.76 | 3.526 (12) | 141 |
Hydrogen-bond geometry (Å, °)
Cg1, Cg2 and Cg3 are the centroids of the C39A–C44A, C14–C19 and C32–C37 benzene rings, respectively.
| H⋯ | ||||
|---|---|---|---|---|
| C18—H18 | 0.93 | 2.53 | 3.457 (7) | 175 |
| C29—H29 | 0.93 | 2.45 | 3.331 (9) | 158 |
| C3—H3 | 0.93 | 2.82 | 3.654 (9) | 151 |
| C23—H23 | 0.93 | 2.87 | 3.691 (7) | 147 |
| C44 | 0.93 | 2.76 | 3.526 (12) | 141 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .