| Literature DB >> 21588547 |
Omar Bin Shawkataly, Imthyaz Ahmed Khan, Siti Syaida Sirat, Chin Sing Yeap, Hoong-Kun Fun.
Abstract
The asymmetric unit of the title triangulo-triruthenium compound, 2[Ru(3)(C(25)H(22)As(2))(C(21)H(21)AsS(3))(CO)(9)]·CH(2)Cl(2), consists of one triangulo-triruthenium complex mol-ecule and one half of a dichloro-methane mol-ecule which lies across a crystallographic inversion center, leading to the disorder of this mol-ecule over two positions of equal occupancy. The bis-(diphenyl-arsino)methane ligand bridges an Ru-Ru bond and the monodentate arsine ligand bonds to the third Ru atom. All arsine ligands are equatorial with respect to the Ru(3) triangle. Each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three methyl-sulfanyl-substituted benzene rings make dihedral angles of 70.02 (8), 82.85 (9) and 89.49 (8)° with each other. The dihedral angles between the two phenyl rings are 78.25 (9) and 86.59 (9)° for the two diphenyl-arsino groups. In the crystal, weak inter-molecular C-H⋯π inter-actions are observed.Entities:
Year: 2010 PMID: 21588547 PMCID: PMC3007838 DOI: 10.1107/S1600536810032812
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| 2[Ru3(C25H22As2)(C21H21AsS3)(CO)9]·CH2Cl2 | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 9631 reflections | |
| θ = 2.4–35.2° | |
| µ = 2.79 mm−1 | |
| α = 94.512 (1)° | |
| β = 98.721 (1)° | Block, purple |
| γ = 102.855 (1)° | 0.56 × 0.29 × 0.20 mm |
| Bruker SMART APEXII CCD area-detector diffractometer | 20038 independent reflections |
| Radiation source: fine-focus sealed tube | 17668 reflections with |
| graphite | |
| φ and ω scans | θmax = 32.5°, θmin = 2.0° |
| Absorption correction: multi-scan ( | |
| 117127 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 | |
| 20038 reflections | (Δ/σ)max = 0.002 |
| 679 parameters | Δρmax = 1.53 e Å−3 |
| 0 restraints | Δρmin = −1.28 e Å−3 |
| Experimental. The crystal was placed in the cold stream of an Oxford Cryosystems Cobra open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K. |
| Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
| Refinement. Refinement of |
| Occ. (<1) | |||||
| Ru1 | 0.272408 (11) | 0.645285 (10) | 0.230778 (6) | 0.01503 (3) | |
| Ru2 | 0.216711 (11) | 0.432162 (10) | 0.272952 (6) | 0.01492 (3) | |
| Ru3 | 0.050554 (11) | 0.491262 (10) | 0.169550 (6) | 0.01399 (3) | |
| As1 | −0.111284 (14) | 0.325798 (13) | 0.168266 (7) | 0.01466 (3) | |
| As2 | 0.125920 (15) | 0.239793 (13) | 0.239305 (8) | 0.01539 (3) | |
| As3 | 0.488230 (15) | 0.752248 (13) | 0.279266 (8) | 0.01564 (3) | |
| S1 | 0.85951 (5) | 0.58930 (4) | 0.50245 (2) | 0.02778 (9) | |
| S2 | 0.82705 (5) | 0.94466 (4) | 0.06532 (2) | 0.02522 (8) | |
| S3 | 0.46708 (5) | 1.18489 (4) | 0.45993 (2) | 0.02596 (9) | |
| O1 | 0.37182 (14) | 0.59457 (11) | 0.10436 (7) | 0.0281 (3) | |
| O2 | 0.18120 (13) | 0.69186 (12) | 0.35930 (7) | 0.0282 (3) | |
| O3 | 0.14505 (14) | 0.81485 (11) | 0.17632 (7) | 0.0293 (3) | |
| O4 | 0.38610 (13) | 0.40882 (12) | 0.39778 (7) | 0.0297 (3) | |
| O5 | 0.43725 (13) | 0.43147 (12) | 0.19702 (7) | 0.0293 (3) | |
| O6 | 0.01003 (12) | 0.46497 (11) | 0.35320 (6) | 0.0241 (2) | |
| O7 | 0.19057 (13) | 0.36294 (11) | 0.08694 (6) | 0.0256 (3) | |
| O8 | −0.05033 (15) | 0.58824 (13) | 0.05006 (7) | 0.0326 (3) | |
| O9 | −0.07202 (13) | 0.63293 (11) | 0.25395 (7) | 0.0277 (3) | |
| C1 | −0.20996 (14) | 0.31631 (13) | 0.23781 (7) | 0.0176 (3) | |
| C2 | −0.27612 (16) | 0.39622 (15) | 0.24823 (8) | 0.0211 (3) | |
| H2A | −0.2797 | 0.4475 | 0.2192 | 0.025* | |
| C3 | −0.33693 (17) | 0.39948 (17) | 0.30216 (9) | 0.0262 (3) | |
| H3A | −0.3807 | 0.4530 | 0.3091 | 0.031* | |
| C4 | −0.33218 (18) | 0.32294 (18) | 0.34550 (9) | 0.0298 (4) | |
| H4A | −0.3716 | 0.3258 | 0.3818 | 0.036* | |
| C5 | −0.26847 (19) | 0.24217 (18) | 0.33449 (9) | 0.0300 (4) | |
| H5A | −0.2669 | 0.1900 | 0.3630 | 0.036* | |
| C6 | −0.20672 (16) | 0.23860 (15) | 0.28098 (8) | 0.0225 (3) | |
| H6A | −0.1635 | 0.1846 | 0.2741 | 0.027* | |
| C7 | −0.23627 (15) | 0.27070 (13) | 0.08947 (8) | 0.0180 (3) | |
| C8 | −0.36537 (17) | 0.23264 (17) | 0.08984 (9) | 0.0264 (4) | |
| H8A | −0.3964 | 0.2347 | 0.1288 | 0.032* | |
| C9 | −0.44931 (19) | 0.19095 (19) | 0.03128 (10) | 0.0336 (4) | |
| H9A | −0.5363 | 0.1654 | 0.0314 | 0.040* | |
| C10 | −0.4035 (2) | 0.18778 (17) | −0.02634 (9) | 0.0315 (4) | |
| H10A | −0.4595 | 0.1598 | −0.0651 | 0.038* | |
| C11 | −0.2739 (2) | 0.22627 (17) | −0.02666 (9) | 0.0286 (4) | |
| H11A | −0.2431 | 0.2239 | −0.0657 | 0.034* | |
| C12 | −0.19026 (17) | 0.26813 (15) | 0.03093 (8) | 0.0232 (3) | |
| H12A | −0.1035 | 0.2945 | 0.0305 | 0.028* | |
| C13 | −0.03139 (15) | 0.20321 (13) | 0.17414 (8) | 0.0188 (3) | |
| H13A | −0.0115 | 0.1823 | 0.1320 | 0.023* | |
| H13B | −0.0910 | 0.1420 | 0.1857 | 0.023* | |
| C14 | 0.08324 (15) | 0.14022 (14) | 0.30329 (8) | 0.0206 (3) | |
| C15 | 0.10313 (19) | 0.17852 (16) | 0.36886 (9) | 0.0261 (3) | |
| H15A | 0.1316 | 0.2524 | 0.3822 | 0.031* | |
| C16 | 0.0804 (2) | 0.10586 (19) | 0.41471 (11) | 0.0369 (5) | |
| H16A | 0.0942 | 0.1313 | 0.4587 | 0.044* | |
| C17 | 0.0370 (2) | −0.00437 (19) | 0.39450 (12) | 0.0414 (5) | |
| H17A | 0.0211 | −0.0526 | 0.4250 | 0.050* | |
| C18 | 0.0172 (2) | −0.04314 (18) | 0.32887 (12) | 0.0386 (5) | |
| H18A | −0.0116 | −0.1171 | 0.3156 | 0.046* | |
| C19 | 0.04048 (19) | 0.02893 (15) | 0.28324 (10) | 0.0282 (4) | |
| H19A | 0.0277 | 0.0032 | 0.2393 | 0.034* | |
| C20 | 0.23331 (15) | 0.16287 (13) | 0.19779 (8) | 0.0187 (3) | |
| C21 | 0.18807 (17) | 0.09077 (15) | 0.14123 (9) | 0.0228 (3) | |
| H21A | 0.1032 | 0.0790 | 0.1209 | 0.027* | |
| C22 | 0.27003 (18) | 0.03630 (15) | 0.11511 (9) | 0.0256 (3) | |
| H22A | 0.2403 | −0.0111 | 0.0770 | 0.031* | |
| C23 | 0.39557 (18) | 0.05293 (15) | 0.14596 (10) | 0.0267 (4) | |
| H23A | 0.4502 | 0.0165 | 0.1285 | 0.032* | |
| C24 | 0.44057 (17) | 0.12360 (15) | 0.20272 (10) | 0.0266 (4) | |
| H24A | 0.5249 | 0.1338 | 0.2235 | 0.032* | |
| C25 | 0.35995 (16) | 0.17917 (14) | 0.22860 (9) | 0.0222 (3) | |
| H25A | 0.3904 | 0.2272 | 0.2664 | 0.027* | |
| C26 | 0.60497 (15) | 0.69454 (13) | 0.33824 (8) | 0.0179 (3) | |
| C27 | 0.55549 (16) | 0.63871 (14) | 0.38685 (8) | 0.0197 (3) | |
| H27A | 0.4676 | 0.6218 | 0.3861 | 0.024* | |
| C28 | 0.63538 (17) | 0.60794 (15) | 0.43627 (8) | 0.0219 (3) | |
| H28A | 0.6010 | 0.5717 | 0.4687 | 0.026* | |
| C29 | 0.76761 (17) | 0.63140 (14) | 0.43739 (8) | 0.0213 (3) | |
| C30 | 0.81776 (17) | 0.68450 (16) | 0.38786 (9) | 0.0238 (3) | |
| H30A | 0.9053 | 0.6987 | 0.3875 | 0.029* | |
| C31 | 0.73621 (16) | 0.71633 (15) | 0.33882 (8) | 0.0222 (3) | |
| H31A | 0.7701 | 0.7525 | 0.3062 | 0.027* | |
| C32 | 0.59651 (15) | 0.80848 (13) | 0.21796 (8) | 0.0178 (3) | |
| C33 | 0.64666 (17) | 0.73863 (14) | 0.17964 (9) | 0.0218 (3) | |
| H33A | 0.6304 | 0.6653 | 0.1848 | 0.026* | |
| C34 | 0.72016 (17) | 0.77792 (14) | 0.13421 (9) | 0.0223 (3) | |
| H34A | 0.7547 | 0.7312 | 0.1099 | 0.027* | |
| C35 | 0.74257 (15) | 0.88703 (14) | 0.12467 (8) | 0.0190 (3) | |
| C36 | 0.69174 (15) | 0.95644 (13) | 0.16237 (8) | 0.0198 (3) | |
| H36A | 0.7053 | 1.0292 | 0.1560 | 0.024* | |
| C37 | 0.62117 (15) | 0.91777 (13) | 0.20920 (8) | 0.0188 (3) | |
| H37A | 0.5902 | 0.9653 | 0.2349 | 0.023* | |
| C38 | 0.48767 (16) | 0.88287 (13) | 0.33407 (8) | 0.0184 (3) | |
| C39 | 0.58630 (17) | 0.92682 (14) | 0.38610 (9) | 0.0227 (3) | |
| H39A | 0.6551 | 0.8948 | 0.3942 | 0.027* | |
| C40 | 0.58315 (18) | 1.01828 (15) | 0.42624 (9) | 0.0241 (3) | |
| H40A | 0.6491 | 1.0464 | 0.4612 | 0.029* | |
| C41 | 0.48100 (17) | 1.06787 (14) | 0.41394 (8) | 0.0209 (3) | |
| C42 | 0.38201 (18) | 1.02368 (15) | 0.36202 (9) | 0.0243 (3) | |
| H42A | 0.3134 | 1.0559 | 0.3537 | 0.029* | |
| C43 | 0.38508 (17) | 0.93201 (15) | 0.32264 (9) | 0.0231 (3) | |
| H43A | 0.3181 | 0.9029 | 0.2882 | 0.028* | |
| C44 | 1.02155 (19) | 0.65328 (19) | 0.49658 (10) | 0.0325 (4) | |
| H44A | 1.0789 | 0.6379 | 0.5322 | 0.049* | |
| H44B | 1.0310 | 0.7302 | 0.4981 | 0.049* | |
| H44C | 1.0412 | 0.6259 | 0.4562 | 0.049* | |
| C45 | 0.9014 (2) | 0.84077 (18) | 0.03799 (11) | 0.0369 (5) | |
| H45A | 0.9614 | 0.8696 | 0.0109 | 0.055* | |
| H45B | 0.8370 | 0.7813 | 0.0135 | 0.055* | |
| H45C | 0.9454 | 0.8160 | 0.0749 | 0.055* | |
| C46 | 0.6196 (2) | 1.22632 (18) | 0.51238 (10) | 0.0333 (4) | |
| H46A | 0.6284 | 1.2970 | 0.5347 | 0.050* | |
| H46B | 0.6864 | 1.2284 | 0.4870 | 0.050* | |
| H46C | 0.6258 | 1.1757 | 0.5436 | 0.050* | |
| C47 | 0.33234 (16) | 0.60875 (13) | 0.15090 (8) | 0.0202 (3) | |
| C48 | 0.21287 (16) | 0.66581 (14) | 0.31181 (8) | 0.0211 (3) | |
| C49 | 0.20010 (16) | 0.75351 (14) | 0.19592 (8) | 0.0211 (3) | |
| C50 | 0.32480 (16) | 0.41959 (14) | 0.35019 (8) | 0.0211 (3) | |
| C51 | 0.35334 (16) | 0.43797 (14) | 0.22309 (8) | 0.0210 (3) | |
| C52 | 0.08354 (16) | 0.45379 (13) | 0.32111 (8) | 0.0194 (3) | |
| C53 | 0.14356 (15) | 0.41231 (14) | 0.11959 (8) | 0.0193 (3) | |
| C54 | −0.01435 (16) | 0.55206 (14) | 0.09543 (8) | 0.0204 (3) | |
| C55 | −0.02389 (15) | 0.57839 (14) | 0.22517 (8) | 0.0194 (3) | |
| Cl1 | 0.61496 (8) | 0.49986 (6) | 0.04724 (4) | 0.05599 (17) | |
| C56 | 0.4702 (4) | 0.4354 (3) | 0.0093 (2) | 0.0350 (9) | 0.50 |
| H56A | 0.4192 | 0.4153 | 0.0420 | 0.042* | 0.50 |
| H56B | 0.4788 | 0.3697 | −0.0133 | 0.042* | 0.50 |
| Ru1 | 0.01532 (5) | 0.01408 (5) | 0.01565 (5) | 0.00296 (4) | 0.00280 (4) | 0.00285 (4) |
| Ru2 | 0.01539 (5) | 0.01395 (5) | 0.01464 (5) | 0.00296 (4) | 0.00039 (4) | 0.00277 (4) |
| Ru3 | 0.01374 (5) | 0.01517 (5) | 0.01342 (5) | 0.00404 (4) | 0.00224 (4) | 0.00237 (4) |
| As1 | 0.01356 (6) | 0.01611 (7) | 0.01415 (7) | 0.00352 (5) | 0.00181 (5) | 0.00206 (5) |
| As2 | 0.01483 (6) | 0.01406 (7) | 0.01690 (7) | 0.00340 (5) | 0.00131 (5) | 0.00233 (5) |
| As3 | 0.01571 (7) | 0.01459 (7) | 0.01686 (7) | 0.00385 (5) | 0.00312 (5) | 0.00201 (5) |
| S1 | 0.0283 (2) | 0.0360 (2) | 0.02015 (19) | 0.01163 (18) | −0.00015 (16) | 0.00650 (17) |
| S2 | 0.0289 (2) | 0.0235 (2) | 0.0238 (2) | 0.00305 (16) | 0.01031 (16) | 0.00445 (16) |
| S3 | 0.0324 (2) | 0.0214 (2) | 0.0243 (2) | 0.00701 (17) | 0.00700 (16) | −0.00196 (16) |
| O1 | 0.0348 (7) | 0.0263 (7) | 0.0255 (6) | 0.0071 (5) | 0.0118 (5) | 0.0039 (5) |
| O2 | 0.0297 (7) | 0.0293 (7) | 0.0230 (6) | 0.0003 (5) | 0.0085 (5) | −0.0021 (5) |
| O3 | 0.0330 (7) | 0.0267 (7) | 0.0306 (7) | 0.0124 (6) | 0.0025 (5) | 0.0078 (5) |
| O4 | 0.0287 (7) | 0.0329 (7) | 0.0247 (6) | 0.0043 (5) | −0.0036 (5) | 0.0104 (5) |
| O5 | 0.0242 (6) | 0.0355 (7) | 0.0346 (7) | 0.0131 (5) | 0.0104 (5) | 0.0148 (6) |
| O6 | 0.0237 (6) | 0.0285 (6) | 0.0201 (6) | 0.0054 (5) | 0.0044 (4) | 0.0034 (5) |
| O7 | 0.0255 (6) | 0.0286 (7) | 0.0234 (6) | 0.0089 (5) | 0.0051 (5) | −0.0027 (5) |
| O8 | 0.0372 (8) | 0.0368 (8) | 0.0266 (7) | 0.0141 (6) | 0.0015 (6) | 0.0129 (6) |
| O9 | 0.0254 (6) | 0.0293 (7) | 0.0303 (7) | 0.0098 (5) | 0.0081 (5) | −0.0019 (5) |
| C1 | 0.0148 (6) | 0.0216 (7) | 0.0156 (6) | 0.0025 (5) | 0.0023 (5) | 0.0025 (5) |
| C2 | 0.0186 (7) | 0.0252 (8) | 0.0200 (7) | 0.0055 (6) | 0.0045 (5) | 0.0033 (6) |
| C3 | 0.0202 (7) | 0.0358 (10) | 0.0229 (8) | 0.0077 (7) | 0.0057 (6) | −0.0012 (7) |
| C4 | 0.0231 (8) | 0.0457 (12) | 0.0202 (8) | 0.0035 (8) | 0.0078 (6) | 0.0061 (8) |
| C5 | 0.0275 (9) | 0.0385 (11) | 0.0250 (8) | 0.0045 (8) | 0.0073 (7) | 0.0138 (8) |
| C6 | 0.0198 (7) | 0.0252 (8) | 0.0226 (8) | 0.0041 (6) | 0.0040 (6) | 0.0074 (6) |
| C7 | 0.0182 (6) | 0.0186 (7) | 0.0163 (6) | 0.0040 (5) | 0.0005 (5) | 0.0026 (5) |
| C8 | 0.0201 (7) | 0.0362 (10) | 0.0197 (7) | 0.0008 (7) | 0.0008 (6) | 0.0052 (7) |
| C9 | 0.0226 (8) | 0.0427 (12) | 0.0280 (9) | −0.0029 (8) | −0.0038 (7) | 0.0055 (8) |
| C10 | 0.0329 (9) | 0.0332 (10) | 0.0225 (8) | 0.0050 (8) | −0.0076 (7) | −0.0007 (7) |
| C11 | 0.0357 (10) | 0.0338 (10) | 0.0166 (7) | 0.0121 (8) | 0.0011 (7) | 0.0004 (7) |
| C12 | 0.0242 (8) | 0.0278 (9) | 0.0183 (7) | 0.0082 (6) | 0.0033 (6) | 0.0021 (6) |
| C13 | 0.0164 (6) | 0.0172 (7) | 0.0218 (7) | 0.0047 (5) | 0.0001 (5) | 0.0006 (6) |
| C14 | 0.0179 (7) | 0.0202 (7) | 0.0244 (8) | 0.0043 (6) | 0.0037 (6) | 0.0076 (6) |
| C15 | 0.0319 (9) | 0.0251 (9) | 0.0238 (8) | 0.0081 (7) | 0.0090 (7) | 0.0069 (7) |
| C16 | 0.0492 (12) | 0.0389 (11) | 0.0288 (10) | 0.0136 (10) | 0.0163 (9) | 0.0146 (9) |
| C17 | 0.0501 (13) | 0.0350 (11) | 0.0430 (12) | 0.0064 (10) | 0.0160 (10) | 0.0228 (10) |
| C18 | 0.0409 (11) | 0.0230 (9) | 0.0498 (13) | −0.0013 (8) | 0.0095 (10) | 0.0140 (9) |
| C19 | 0.0298 (9) | 0.0205 (8) | 0.0314 (9) | 0.0004 (7) | 0.0037 (7) | 0.0059 (7) |
| C20 | 0.0177 (6) | 0.0167 (7) | 0.0225 (7) | 0.0051 (5) | 0.0037 (5) | 0.0041 (6) |
| C21 | 0.0222 (7) | 0.0226 (8) | 0.0239 (8) | 0.0083 (6) | 0.0018 (6) | 0.0002 (6) |
| C22 | 0.0297 (9) | 0.0242 (8) | 0.0253 (8) | 0.0118 (7) | 0.0049 (7) | 0.0009 (7) |
| C23 | 0.0255 (8) | 0.0244 (8) | 0.0345 (9) | 0.0111 (7) | 0.0100 (7) | 0.0046 (7) |
| C24 | 0.0180 (7) | 0.0256 (9) | 0.0374 (10) | 0.0081 (6) | 0.0039 (7) | 0.0048 (7) |
| C25 | 0.0182 (7) | 0.0201 (8) | 0.0272 (8) | 0.0050 (6) | 0.0006 (6) | 0.0016 (6) |
| C26 | 0.0189 (7) | 0.0181 (7) | 0.0169 (7) | 0.0054 (5) | 0.0023 (5) | 0.0016 (5) |
| C27 | 0.0194 (7) | 0.0194 (7) | 0.0201 (7) | 0.0042 (6) | 0.0036 (5) | 0.0018 (6) |
| C28 | 0.0228 (7) | 0.0240 (8) | 0.0189 (7) | 0.0050 (6) | 0.0036 (6) | 0.0040 (6) |
| C29 | 0.0244 (7) | 0.0219 (8) | 0.0176 (7) | 0.0079 (6) | 0.0012 (6) | 0.0010 (6) |
| C30 | 0.0199 (7) | 0.0309 (9) | 0.0227 (8) | 0.0097 (6) | 0.0036 (6) | 0.0058 (7) |
| C31 | 0.0198 (7) | 0.0266 (8) | 0.0224 (8) | 0.0077 (6) | 0.0052 (6) | 0.0076 (6) |
| C32 | 0.0172 (6) | 0.0179 (7) | 0.0182 (7) | 0.0037 (5) | 0.0028 (5) | 0.0027 (5) |
| C33 | 0.0260 (8) | 0.0162 (7) | 0.0241 (8) | 0.0045 (6) | 0.0079 (6) | 0.0029 (6) |
| C34 | 0.0253 (8) | 0.0197 (8) | 0.0227 (8) | 0.0057 (6) | 0.0077 (6) | 0.0001 (6) |
| C35 | 0.0179 (7) | 0.0198 (7) | 0.0174 (7) | 0.0015 (5) | 0.0022 (5) | 0.0017 (6) |
| C36 | 0.0189 (7) | 0.0163 (7) | 0.0237 (7) | 0.0030 (5) | 0.0031 (6) | 0.0036 (6) |
| C37 | 0.0185 (7) | 0.0169 (7) | 0.0207 (7) | 0.0041 (5) | 0.0035 (5) | 0.0011 (6) |
| C38 | 0.0203 (7) | 0.0164 (7) | 0.0188 (7) | 0.0046 (5) | 0.0043 (5) | 0.0019 (5) |
| C39 | 0.0222 (7) | 0.0207 (8) | 0.0242 (8) | 0.0056 (6) | 0.0009 (6) | 0.0014 (6) |
| C40 | 0.0271 (8) | 0.0209 (8) | 0.0223 (8) | 0.0057 (6) | −0.0001 (6) | −0.0004 (6) |
| C41 | 0.0272 (8) | 0.0170 (7) | 0.0198 (7) | 0.0054 (6) | 0.0082 (6) | 0.0025 (6) |
| C42 | 0.0252 (8) | 0.0237 (8) | 0.0252 (8) | 0.0096 (6) | 0.0041 (6) | 0.0005 (6) |
| C43 | 0.0235 (7) | 0.0230 (8) | 0.0229 (8) | 0.0080 (6) | 0.0014 (6) | −0.0002 (6) |
| C44 | 0.0257 (9) | 0.0432 (12) | 0.0301 (9) | 0.0143 (8) | 0.0003 (7) | 0.0045 (8) |
| C45 | 0.0490 (13) | 0.0332 (11) | 0.0345 (11) | 0.0128 (9) | 0.0222 (9) | 0.0024 (8) |
| C46 | 0.0355 (10) | 0.0325 (10) | 0.0286 (9) | 0.0035 (8) | 0.0077 (8) | −0.0062 (8) |
| C47 | 0.0223 (7) | 0.0161 (7) | 0.0217 (7) | 0.0036 (6) | 0.0031 (6) | 0.0037 (6) |
| C48 | 0.0190 (7) | 0.0209 (8) | 0.0213 (7) | 0.0009 (6) | 0.0023 (6) | 0.0032 (6) |
| C49 | 0.0231 (7) | 0.0204 (7) | 0.0194 (7) | 0.0036 (6) | 0.0045 (6) | 0.0031 (6) |
| C50 | 0.0203 (7) | 0.0198 (7) | 0.0221 (7) | 0.0027 (6) | 0.0018 (6) | 0.0044 (6) |
| C51 | 0.0198 (7) | 0.0211 (8) | 0.0219 (7) | 0.0051 (6) | 0.0007 (6) | 0.0076 (6) |
| C52 | 0.0207 (7) | 0.0183 (7) | 0.0167 (7) | 0.0025 (6) | −0.0013 (5) | 0.0026 (5) |
| C53 | 0.0188 (7) | 0.0196 (7) | 0.0186 (7) | 0.0035 (6) | 0.0019 (5) | 0.0027 (6) |
| C54 | 0.0197 (7) | 0.0222 (8) | 0.0198 (7) | 0.0059 (6) | 0.0035 (5) | 0.0034 (6) |
| C55 | 0.0191 (7) | 0.0209 (7) | 0.0187 (7) | 0.0054 (6) | 0.0034 (5) | 0.0026 (6) |
| Cl1 | 0.0662 (4) | 0.0542 (4) | 0.0519 (4) | 0.0291 (3) | 0.0076 (3) | −0.0050 (3) |
| C56 | 0.040 (2) | 0.0269 (19) | 0.042 (2) | 0.0097 (16) | 0.0186 (18) | 0.0030 (17) |
| Ru1—C49 | 1.8768 (17) | C15—C16 | 1.397 (3) |
| Ru1—C48 | 1.9246 (17) | C15—H15A | 0.9300 |
| Ru1—C47 | 1.9445 (17) | C16—C17 | 1.388 (3) |
| Ru1—As3 | 2.4574 (2) | C16—H16A | 0.9300 |
| Ru1—Ru3 | 2.80754 (17) | C17—C18 | 1.391 (4) |
| Ru1—Ru2 | 2.88731 (18) | C17—H17A | 0.9300 |
| Ru2—C50 | 1.8897 (17) | C18—C19 | 1.389 (3) |
| Ru2—C51 | 1.9335 (18) | C18—H18A | 0.9300 |
| Ru2—C52 | 1.9414 (17) | C19—H19A | 0.9300 |
| Ru2—As2 | 2.4344 (2) | C20—C21 | 1.393 (2) |
| Ru2—Ru3 | 2.86304 (17) | C20—C25 | 1.393 (2) |
| Ru3—C54 | 1.8993 (17) | C21—C22 | 1.393 (2) |
| Ru3—C55 | 1.9309 (17) | C21—H21A | 0.9300 |
| Ru3—C53 | 1.9338 (17) | C22—C23 | 1.382 (3) |
| Ru3—As1 | 2.4240 (2) | C22—H22A | 0.9300 |
| As1—C1 | 1.9314 (16) | C23—C24 | 1.386 (3) |
| As1—C7 | 1.9431 (16) | C23—H23A | 0.9300 |
| As1—C13 | 1.9534 (16) | C24—C25 | 1.388 (3) |
| As2—C20 | 1.9406 (16) | C24—H24A | 0.9300 |
| As2—C14 | 1.9532 (16) | C25—H25A | 0.9300 |
| As2—C13 | 1.9608 (16) | C26—C31 | 1.391 (2) |
| As3—C26 | 1.9395 (16) | C26—C27 | 1.393 (2) |
| As3—C32 | 1.9432 (16) | C27—C28 | 1.387 (2) |
| As3—C38 | 1.9482 (16) | C27—H27A | 0.9300 |
| S1—C29 | 1.7560 (17) | C28—C29 | 1.399 (2) |
| S1—C44 | 1.797 (2) | C28—H28A | 0.9300 |
| S2—C35 | 1.7657 (17) | C29—C30 | 1.396 (2) |
| S2—C45 | 1.798 (2) | C30—C31 | 1.398 (2) |
| S3—C41 | 1.7589 (17) | C30—H30A | 0.9300 |
| S3—C46 | 1.790 (2) | C31—H31A | 0.9300 |
| O1—C47 | 1.140 (2) | C32—C37 | 1.391 (2) |
| O2—C48 | 1.149 (2) | C32—C33 | 1.404 (2) |
| O3—C49 | 1.150 (2) | C33—C34 | 1.387 (2) |
| O4—C50 | 1.148 (2) | C33—H33A | 0.9300 |
| O5—C51 | 1.147 (2) | C34—C35 | 1.394 (2) |
| O6—C52 | 1.144 (2) | C34—H34A | 0.9300 |
| O7—C53 | 1.143 (2) | C35—C36 | 1.397 (2) |
| O8—C54 | 1.142 (2) | C36—C37 | 1.389 (2) |
| O9—C55 | 1.146 (2) | C36—H36A | 0.9300 |
| C1—C2 | 1.394 (2) | C37—H37A | 0.9300 |
| C1—C6 | 1.395 (2) | C38—C39 | 1.391 (2) |
| C2—C3 | 1.395 (2) | C38—C43 | 1.396 (2) |
| C2—H2A | 0.9300 | C39—C40 | 1.392 (3) |
| C3—C4 | 1.388 (3) | C39—H39A | 0.9300 |
| C3—H3A | 0.9300 | C40—C41 | 1.397 (2) |
| C4—C5 | 1.387 (3) | C40—H40A | 0.9300 |
| C4—H4A | 0.9300 | C41—C42 | 1.392 (3) |
| C5—C6 | 1.394 (3) | C42—C43 | 1.386 (3) |
| C5—H5A | 0.9300 | C42—H42A | 0.9300 |
| C6—H6A | 0.9300 | C43—H43A | 0.9300 |
| C7—C8 | 1.382 (2) | C44—H44A | 0.9600 |
| C7—C12 | 1.393 (2) | C44—H44B | 0.9600 |
| C8—C9 | 1.400 (3) | C44—H44C | 0.9600 |
| C8—H8A | 0.9300 | C45—H45A | 0.9600 |
| C9—C10 | 1.374 (3) | C45—H45B | 0.9600 |
| C9—H9A | 0.9300 | C45—H45C | 0.9600 |
| C10—C11 | 1.388 (3) | C46—H46A | 0.9600 |
| C10—H10A | 0.9300 | C46—H46B | 0.9600 |
| C11—C12 | 1.384 (2) | C46—H46C | 0.9600 |
| C11—H11A | 0.9300 | Cl1—C56 | 1.652 (5) |
| C12—H12A | 0.9300 | Cl1—C56i | 1.761 (5) |
| C13—H13A | 0.9700 | C56—Cl1i | 1.761 (5) |
| C13—H13B | 0.9700 | C56—H56A | 0.9599 |
| C14—C15 | 1.388 (3) | C56—H56B | 0.9599 |
| C14—C19 | 1.400 (3) | ||
| C49—Ru1—C48 | 92.55 (7) | C16—C17—H17A | 119.8 |
| C49—Ru1—C47 | 92.99 (7) | C18—C17—H17A | 119.8 |
| C48—Ru1—C47 | 173.85 (7) | C19—C18—C17 | 119.8 (2) |
| C49—Ru1—As3 | 100.49 (5) | C19—C18—H18A | 120.1 |
| C48—Ru1—As3 | 91.09 (5) | C17—C18—H18A | 120.1 |
| C47—Ru1—As3 | 90.53 (5) | C18—C19—C14 | 120.0 (2) |
| C49—Ru1—Ru3 | 88.60 (5) | C18—C19—H19A | 120.0 |
| C48—Ru1—Ru3 | 95.13 (5) | C14—C19—H19A | 120.0 |
| C47—Ru1—Ru3 | 82.34 (5) | C21—C20—C25 | 119.90 (16) |
| As3—Ru1—Ru3 | 168.757 (7) | C21—C20—As2 | 123.14 (12) |
| C49—Ru1—Ru2 | 144.64 (5) | C25—C20—As2 | 116.92 (13) |
| C48—Ru1—Ru2 | 75.31 (5) | C20—C21—C22 | 119.93 (16) |
| C47—Ru1—Ru2 | 98.60 (5) | C20—C21—H21A | 120.0 |
| As3—Ru1—Ru2 | 112.611 (6) | C22—C21—H21A | 120.0 |
| Ru3—Ru1—Ru2 | 60.344 (4) | C23—C22—C21 | 119.83 (18) |
| C50—Ru2—C51 | 91.86 (7) | C23—C22—H22A | 120.1 |
| C50—Ru2—C52 | 91.39 (7) | C21—C22—H22A | 120.1 |
| C51—Ru2—C52 | 169.68 (7) | C22—C23—C24 | 120.43 (17) |
| C50—Ru2—As2 | 97.87 (5) | C22—C23—H23A | 119.8 |
| C51—Ru2—As2 | 93.44 (5) | C24—C23—H23A | 119.8 |
| C52—Ru2—As2 | 95.82 (5) | C23—C24—C25 | 120.09 (17) |
| C50—Ru2—Ru3 | 168.52 (5) | C23—C24—H24A | 120.0 |
| C51—Ru2—Ru3 | 93.27 (5) | C25—C24—H24A | 120.0 |
| C52—Ru2—Ru3 | 81.86 (5) | C24—C25—C20 | 119.82 (17) |
| As2—Ru2—Ru3 | 92.069 (6) | C24—C25—H25A | 120.1 |
| C50—Ru2—Ru1 | 113.64 (5) | C20—C25—H25A | 120.1 |
| C51—Ru2—Ru1 | 72.94 (5) | C31—C26—C27 | 118.87 (15) |
| C52—Ru2—Ru1 | 96.79 (5) | C31—C26—As3 | 123.38 (12) |
| As2—Ru2—Ru1 | 145.613 (7) | C27—C26—As3 | 117.35 (12) |
| Ru3—Ru2—Ru1 | 58.448 (5) | C28—C27—C26 | 120.97 (15) |
| C54—Ru3—C55 | 90.94 (7) | C28—C27—H27A | 119.5 |
| C54—Ru3—C53 | 92.15 (7) | C26—C27—H27A | 119.5 |
| C55—Ru3—C53 | 173.56 (7) | C27—C28—C29 | 120.10 (16) |
| C54—Ru3—As1 | 103.19 (5) | C27—C28—H28A | 120.0 |
| C55—Ru3—As1 | 94.78 (5) | C29—C28—H28A | 120.0 |
| C53—Ru3—As1 | 90.01 (5) | C30—C29—C28 | 119.37 (15) |
| C54—Ru3—Ru1 | 105.36 (5) | C30—C29—S1 | 124.46 (13) |
| C55—Ru3—Ru1 | 80.28 (5) | C28—C29—S1 | 116.17 (13) |
| C53—Ru3—Ru1 | 93.45 (5) | C29—C30—C31 | 119.87 (16) |
| As1—Ru3—Ru1 | 151.077 (7) | C29—C30—H30A | 120.1 |
| C54—Ru3—Ru2 | 163.58 (5) | C31—C30—H30A | 120.1 |
| C55—Ru3—Ru2 | 95.58 (5) | C26—C31—C30 | 120.78 (16) |
| C53—Ru3—Ru2 | 79.99 (5) | C26—C31—H31A | 119.6 |
| As1—Ru3—Ru2 | 91.288 (6) | C30—C31—H31A | 119.6 |
| Ru1—Ru3—Ru2 | 61.208 (4) | C37—C32—C33 | 118.79 (15) |
| C1—As1—C7 | 104.88 (7) | C37—C32—As3 | 120.65 (12) |
| C1—As1—C13 | 103.91 (7) | C33—C32—As3 | 120.51 (12) |
| C7—As1—C13 | 98.75 (7) | C34—C33—C32 | 120.63 (16) |
| C1—As1—Ru3 | 117.77 (5) | C34—C33—H33A | 119.7 |
| C7—As1—Ru3 | 119.04 (5) | C32—C33—H33A | 119.7 |
| C13—As1—Ru3 | 109.90 (5) | C33—C34—C35 | 120.42 (16) |
| C20—As2—C14 | 97.80 (7) | C33—C34—H34A | 119.8 |
| C20—As2—C13 | 101.07 (7) | C35—C34—H34A | 119.8 |
| C14—As2—C13 | 102.17 (7) | C34—C35—C36 | 118.99 (15) |
| C20—As2—Ru2 | 115.82 (5) | C34—C35—S2 | 124.43 (13) |
| C14—As2—Ru2 | 120.82 (5) | C36—C35—S2 | 116.54 (13) |
| C13—As2—Ru2 | 115.87 (5) | C37—C36—C35 | 120.63 (15) |
| C26—As3—C32 | 101.35 (7) | C37—C36—H36A | 119.7 |
| C26—As3—C38 | 99.20 (7) | C35—C36—H36A | 119.7 |
| C32—As3—C38 | 102.56 (7) | C36—C37—C32 | 120.51 (15) |
| C26—As3—Ru1 | 121.96 (5) | C36—C37—H37A | 119.7 |
| C32—As3—Ru1 | 115.64 (5) | C32—C37—H37A | 119.7 |
| C38—As3—Ru1 | 113.24 (5) | C39—C38—C43 | 118.88 (16) |
| C29—S1—C44 | 103.72 (9) | C39—C38—As3 | 121.12 (12) |
| C35—S2—C45 | 103.76 (9) | C43—C38—As3 | 119.97 (13) |
| C41—S3—C46 | 102.37 (9) | C38—C39—C40 | 120.73 (16) |
| C2—C1—C6 | 119.66 (15) | C38—C39—H39A | 119.6 |
| C2—C1—As1 | 118.17 (12) | C40—C39—H39A | 119.6 |
| C6—C1—As1 | 121.88 (13) | C39—C40—C41 | 120.05 (16) |
| C1—C2—C3 | 120.11 (16) | C39—C40—H40A | 120.0 |
| C1—C2—H2A | 119.9 | C41—C40—H40A | 120.0 |
| C3—C2—H2A | 119.9 | C42—C41—C40 | 119.24 (16) |
| C4—C3—C2 | 120.12 (18) | C42—C41—S3 | 116.25 (13) |
| C4—C3—H3A | 119.9 | C40—C41—S3 | 124.51 (14) |
| C2—C3—H3A | 119.9 | C43—C42—C41 | 120.43 (16) |
| C5—C4—C3 | 119.80 (17) | C43—C42—H42A | 119.8 |
| C5—C4—H4A | 120.1 | C41—C42—H42A | 119.8 |
| C3—C4—H4A | 120.1 | C42—C43—C38 | 120.67 (16) |
| C4—C5—C6 | 120.52 (17) | C42—C43—H43A | 119.7 |
| C4—C5—H5A | 119.7 | C38—C43—H43A | 119.7 |
| C6—C5—H5A | 119.7 | S1—C44—H44A | 109.5 |
| C5—C6—C1 | 119.76 (17) | S1—C44—H44B | 109.5 |
| C5—C6—H6A | 120.1 | H44A—C44—H44B | 109.5 |
| C1—C6—H6A | 120.1 | S1—C44—H44C | 109.5 |
| C8—C7—C12 | 119.96 (15) | H44A—C44—H44C | 109.5 |
| C8—C7—As1 | 122.94 (12) | H44B—C44—H44C | 109.5 |
| C12—C7—As1 | 117.08 (12) | S2—C45—H45A | 109.5 |
| C7—C8—C9 | 119.75 (17) | S2—C45—H45B | 109.5 |
| C7—C8—H8A | 120.1 | H45A—C45—H45B | 109.5 |
| C9—C8—H8A | 120.1 | S2—C45—H45C | 109.5 |
| C10—C9—C8 | 120.16 (18) | H45A—C45—H45C | 109.5 |
| C10—C9—H9A | 119.9 | H45B—C45—H45C | 109.5 |
| C8—C9—H9A | 119.9 | S3—C46—H46A | 109.5 |
| C9—C10—C11 | 120.02 (17) | S3—C46—H46B | 109.5 |
| C9—C10—H10A | 120.0 | H46A—C46—H46B | 109.5 |
| C11—C10—H10A | 120.0 | S3—C46—H46C | 109.5 |
| C12—C11—C10 | 120.23 (18) | H46A—C46—H46C | 109.5 |
| C12—C11—H11A | 119.9 | H46B—C46—H46C | 109.5 |
| C10—C11—H11A | 119.9 | O1—C47—Ru1 | 175.32 (15) |
| C11—C12—C7 | 119.86 (17) | O2—C48—Ru1 | 171.28 (15) |
| C11—C12—H12A | 120.1 | O3—C49—Ru1 | 173.42 (16) |
| C7—C12—H12A | 120.1 | O4—C50—Ru2 | 177.06 (16) |
| As1—C13—As2 | 111.17 (8) | O5—C51—Ru2 | 172.10 (15) |
| As1—C13—H13A | 109.4 | O6—C52—Ru2 | 175.31 (14) |
| As2—C13—H13A | 109.4 | O7—C53—Ru3 | 175.10 (15) |
| As1—C13—H13B | 109.4 | O8—C54—Ru3 | 177.98 (16) |
| As2—C13—H13B | 109.4 | O9—C55—Ru3 | 174.75 (15) |
| H13A—C13—H13B | 108.0 | C56—Cl1—C56i | 60.8 (3) |
| C15—C14—C19 | 119.98 (16) | Cl1—C56—C56i | 62.8 (3) |
| C15—C14—As2 | 120.30 (13) | Cl1—C56—Cl1i | 119.2 (2) |
| C19—C14—As2 | 119.58 (14) | C56i—C56—Cl1i | 56.5 (3) |
| C14—C15—C16 | 119.89 (19) | Cl1—C56—H56A | 107.5 |
| C14—C15—H15A | 120.1 | C56i—C56—H56A | 127.4 |
| C16—C15—H15A | 120.1 | Cl1i—C56—H56A | 108.3 |
| C17—C16—C15 | 119.9 (2) | Cl1—C56—H56B | 106.7 |
| C17—C16—H16A | 120.1 | C56i—C56—H56B | 125.3 |
| C15—C16—H16A | 120.1 | Cl1i—C56—H56B | 107.3 |
| C16—C17—C18 | 120.42 (19) | H56A—C56—H56B | 107.3 |
| C49—Ru1—Ru2—C50 | −138.92 (11) | C7—As1—C1—C2 | −79.09 (14) |
| C48—Ru1—Ru2—C50 | −65.79 (8) | C13—As1—C1—C2 | 177.73 (13) |
| C47—Ru1—Ru2—C50 | 113.36 (8) | Ru3—As1—C1—C2 | 55.95 (14) |
| As3—Ru1—Ru2—C50 | 19.17 (6) | C7—As1—C1—C6 | 107.05 (14) |
| Ru3—Ru1—Ru2—C50 | −170.60 (6) | C13—As1—C1—C6 | 3.88 (15) |
| C49—Ru1—Ru2—C51 | 136.67 (10) | Ru3—As1—C1—C6 | −117.91 (13) |
| C48—Ru1—Ru2—C51 | −150.20 (7) | C6—C1—C2—C3 | 1.1 (2) |
| C47—Ru1—Ru2—C51 | 28.95 (7) | As1—C1—C2—C3 | −172.93 (13) |
| As3—Ru1—Ru2—C51 | −65.25 (5) | C1—C2—C3—C4 | −0.2 (3) |
| Ru3—Ru1—Ru2—C51 | 104.98 (5) | C2—C3—C4—C5 | −1.0 (3) |
| C49—Ru1—Ru2—C52 | −44.40 (10) | C3—C4—C5—C6 | 1.4 (3) |
| C48—Ru1—Ru2—C52 | 28.73 (7) | C4—C5—C6—C1 | −0.6 (3) |
| C47—Ru1—Ru2—C52 | −152.12 (7) | C2—C1—C6—C5 | −0.7 (3) |
| As3—Ru1—Ru2—C52 | 113.69 (5) | As1—C1—C6—C5 | 173.10 (14) |
| Ru3—Ru1—Ru2—C52 | −76.08 (5) | C1—As1—C7—C8 | −1.40 (17) |
| C49—Ru1—Ru2—As2 | 66.38 (9) | C13—As1—C7—C8 | 105.61 (16) |
| C48—Ru1—Ru2—As2 | 139.51 (5) | Ru3—As1—C7—C8 | −135.74 (14) |
| C47—Ru1—Ru2—As2 | −41.34 (5) | C1—As1—C7—C12 | −179.85 (13) |
| As3—Ru1—Ru2—As2 | −135.534 (11) | C13—As1—C7—C12 | −72.84 (14) |
| Ru3—Ru1—Ru2—As2 | 34.694 (11) | Ru3—As1—C7—C12 | 45.81 (15) |
| C49—Ru1—Ru2—Ru3 | 31.68 (9) | C12—C7—C8—C9 | 0.4 (3) |
| C48—Ru1—Ru2—Ru3 | 104.81 (5) | As1—C7—C8—C9 | −177.99 (16) |
| C47—Ru1—Ru2—Ru3 | −76.04 (5) | C7—C8—C9—C10 | 0.1 (3) |
| As3—Ru1—Ru2—Ru3 | −170.228 (7) | C8—C9—C10—C11 | −0.2 (3) |
| C49—Ru1—Ru3—C54 | 27.93 (7) | C9—C10—C11—C12 | −0.1 (3) |
| C48—Ru1—Ru3—C54 | 120.36 (7) | C10—C11—C12—C7 | 0.6 (3) |
| C47—Ru1—Ru3—C54 | −65.28 (7) | C8—C7—C12—C11 | −0.7 (3) |
| As3—Ru1—Ru3—C54 | −116.29 (6) | As1—C7—C12—C11 | 177.76 (14) |
| Ru2—Ru1—Ru3—C54 | −169.77 (5) | C1—As1—C13—As2 | −83.61 (9) |
| C49—Ru1—Ru3—C55 | −60.37 (7) | C7—As1—C13—As2 | 168.59 (8) |
| C48—Ru1—Ru3—C55 | 32.06 (7) | Ru3—As1—C13—As2 | 43.27 (9) |
| C47—Ru1—Ru3—C55 | −153.57 (7) | C20—As2—C13—As1 | −142.99 (8) |
| As3—Ru1—Ru3—C55 | 155.41 (6) | C14—As2—C13—As1 | 116.42 (9) |
| Ru2—Ru1—Ru3—C55 | 101.93 (5) | Ru2—As2—C13—As1 | −16.97 (10) |
| C49—Ru1—Ru3—C53 | 121.11 (7) | C20—As2—C14—C15 | 127.08 (15) |
| C48—Ru1—Ru3—C53 | −146.46 (7) | C13—As2—C14—C15 | −129.76 (15) |
| C47—Ru1—Ru3—C53 | 27.90 (7) | Ru2—As2—C14—C15 | 0.66 (16) |
| As3—Ru1—Ru3—C53 | −23.11 (6) | C20—As2—C14—C19 | −48.66 (15) |
| Ru2—Ru1—Ru3—C53 | −76.59 (5) | C13—As2—C14—C19 | 54.50 (15) |
| C49—Ru1—Ru3—As1 | −142.62 (5) | Ru2—As2—C14—C19 | −175.08 (12) |
| C48—Ru1—Ru3—As1 | −50.18 (5) | C19—C14—C15—C16 | 0.0 (3) |
| C47—Ru1—Ru3—As1 | 124.18 (5) | As2—C14—C15—C16 | −175.76 (16) |
| As3—Ru1—Ru3—As1 | 73.16 (4) | C14—C15—C16—C17 | −0.5 (3) |
| Ru2—Ru1—Ru3—As1 | 19.685 (13) | C15—C16—C17—C18 | 0.6 (4) |
| C49—Ru1—Ru3—Ru2 | −162.30 (5) | C16—C17—C18—C19 | −0.2 (4) |
| C48—Ru1—Ru3—Ru2 | −69.87 (5) | C17—C18—C19—C14 | −0.3 (3) |
| C47—Ru1—Ru3—Ru2 | 104.50 (5) | C15—C14—C19—C18 | 0.4 (3) |
| As3—Ru1—Ru3—Ru2 | 53.48 (3) | As2—C14—C19—C18 | 176.16 (16) |
| C50—Ru2—Ru3—C54 | 86.0 (3) | C14—As2—C20—C21 | 95.77 (15) |
| C51—Ru2—Ru3—C54 | −30.4 (2) | C13—As2—C20—C21 | −8.33 (16) |
| C52—Ru2—Ru3—C54 | 140.46 (19) | Ru2—As2—C20—C21 | −134.38 (13) |
| As2—Ru2—Ru3—C54 | −123.96 (19) | C14—As2—C20—C25 | −81.72 (14) |
| Ru1—Ru2—Ru3—C54 | 37.28 (19) | C13—As2—C20—C25 | 174.18 (13) |
| C50—Ru2—Ru3—C55 | −27.0 (3) | Ru2—As2—C20—C25 | 48.13 (14) |
| C51—Ru2—Ru3—C55 | −143.36 (7) | C25—C20—C21—C22 | −0.9 (3) |
| C52—Ru2—Ru3—C55 | 27.50 (7) | As2—C20—C21—C22 | −178.32 (14) |
| As2—Ru2—Ru3—C55 | 123.08 (5) | C20—C21—C22—C23 | 0.9 (3) |
| Ru1—Ru2—Ru3—C55 | −75.69 (5) | C21—C22—C23—C24 | −0.1 (3) |
| C50—Ru2—Ru3—C53 | 148.3 (3) | C22—C23—C24—C25 | −0.7 (3) |
| C51—Ru2—Ru3—C53 | 31.93 (7) | C23—C24—C25—C20 | 0.7 (3) |
| C52—Ru2—Ru3—C53 | −157.22 (7) | C21—C20—C25—C24 | 0.1 (3) |
| As2—Ru2—Ru3—C53 | −61.64 (5) | As2—C20—C25—C24 | 177.69 (14) |
| Ru1—Ru2—Ru3—C53 | 99.60 (5) | C32—As3—C26—C31 | 12.40 (16) |
| C50—Ru2—Ru3—As1 | −121.9 (3) | C38—As3—C26—C31 | −92.50 (15) |
| C51—Ru2—Ru3—As1 | 121.71 (5) | Ru1—As3—C26—C31 | 142.60 (13) |
| C52—Ru2—Ru3—As1 | −67.44 (5) | C32—As3—C26—C27 | −174.97 (13) |
| As2—Ru2—Ru3—As1 | 28.143 (7) | C38—As3—C26—C27 | 80.12 (14) |
| Ru1—Ru2—Ru3—As1 | −170.622 (7) | Ru1—As3—C26—C27 | −44.78 (15) |
| C50—Ru2—Ru3—Ru1 | 48.7 (3) | C31—C26—C27—C28 | 1.9 (3) |
| C51—Ru2—Ru3—Ru1 | −67.67 (5) | As3—C26—C27—C28 | −171.04 (13) |
| C52—Ru2—Ru3—Ru1 | 103.18 (5) | C26—C27—C28—C29 | −0.9 (3) |
| As2—Ru2—Ru3—Ru1 | −161.235 (7) | C27—C28—C29—C30 | −0.9 (3) |
| C54—Ru3—As1—C1 | −113.07 (7) | C27—C28—C29—S1 | 179.66 (14) |
| C55—Ru3—As1—C1 | −20.97 (7) | C44—S1—C29—C30 | 10.75 (19) |
| C53—Ru3—As1—C1 | 154.72 (7) | C44—S1—C29—C28 | −169.88 (15) |
| Ru1—Ru3—As1—C1 | 57.57 (6) | C28—C29—C30—C31 | 1.8 (3) |
| Ru2—Ru3—As1—C1 | 74.74 (5) | S1—C29—C30—C31 | −178.86 (14) |
| C54—Ru3—As1—C7 | 15.56 (8) | C27—C26—C31—C30 | −1.1 (3) |
| C55—Ru3—As1—C7 | 107.66 (7) | As3—C26—C31—C30 | 171.47 (14) |
| C53—Ru3—As1—C7 | −76.65 (7) | C29—C30—C31—C26 | −0.8 (3) |
| Ru1—Ru3—As1—C7 | −173.80 (6) | C26—As3—C32—C37 | −120.37 (13) |
| Ru2—Ru3—As1—C7 | −156.63 (6) | C38—As3—C32—C37 | −18.14 (15) |
| C54—Ru3—As1—C13 | 128.27 (7) | Ru1—As3—C32—C37 | 105.59 (13) |
| C55—Ru3—As1—C13 | −139.63 (7) | C26—As3—C32—C33 | 62.45 (14) |
| C53—Ru3—As1—C13 | 36.06 (7) | C38—As3—C32—C33 | 164.68 (13) |
| Ru1—Ru3—As1—C13 | −61.09 (5) | Ru1—As3—C32—C33 | −71.59 (14) |
| Ru2—Ru3—As1—C13 | −43.92 (5) | C37—C32—C33—C34 | 0.4 (3) |
| C50—Ru2—As2—C20 | −78.97 (8) | As3—C32—C33—C34 | 177.68 (13) |
| C51—Ru2—As2—C20 | 13.39 (7) | C32—C33—C34—C35 | −1.7 (3) |
| C52—Ru2—As2—C20 | −171.19 (7) | C33—C34—C35—C36 | 1.1 (3) |
| Ru3—Ru2—As2—C20 | 106.79 (5) | C33—C34—C35—S2 | −176.40 (14) |
| Ru1—Ru2—As2—C20 | 77.75 (5) | C45—S2—C35—C34 | −12.60 (18) |
| C50—Ru2—As2—C14 | 38.70 (8) | C45—S2—C35—C36 | 169.84 (14) |
| C51—Ru2—As2—C14 | 131.05 (7) | C34—C35—C36—C37 | 0.7 (2) |
| C52—Ru2—As2—C14 | −53.52 (7) | S2—C35—C36—C37 | 178.44 (13) |
| Ru3—Ru2—As2—C14 | −135.55 (6) | C35—C36—C37—C32 | −2.0 (2) |
| Ru1—Ru2—As2—C14 | −164.58 (6) | C33—C32—C37—C36 | 1.4 (2) |
| C50—Ru2—As2—C13 | 162.89 (8) | As3—C32—C37—C36 | −175.82 (12) |
| C51—Ru2—As2—C13 | −104.76 (7) | C26—As3—C38—C39 | 20.61 (15) |
| C52—Ru2—As2—C13 | 70.67 (7) | C32—As3—C38—C39 | −83.30 (15) |
| Ru3—Ru2—As2—C13 | −11.35 (6) | Ru1—As3—C38—C39 | 151.38 (12) |
| Ru1—Ru2—As2—C13 | −40.39 (6) | C26—As3—C38—C43 | −157.37 (14) |
| C49—Ru1—As3—C26 | 168.10 (8) | C32—As3—C38—C43 | 98.72 (14) |
| C48—Ru1—As3—C26 | 75.30 (8) | Ru1—As3—C38—C43 | −26.59 (15) |
| C47—Ru1—As3—C26 | −98.77 (7) | C43—C38—C39—C40 | 0.0 (3) |
| Ru3—Ru1—As3—C26 | −48.38 (7) | As3—C38—C39—C40 | −178.00 (14) |
| Ru2—Ru1—As3—C26 | 0.78 (6) | C38—C39—C40—C41 | −0.9 (3) |
| C49—Ru1—As3—C32 | −68.08 (8) | C39—C40—C41—C42 | 1.1 (3) |
| C48—Ru1—As3—C32 | −160.87 (7) | C39—C40—C41—S3 | −178.79 (14) |
| C47—Ru1—As3—C32 | 25.06 (7) | C46—S3—C41—C42 | −171.86 (15) |
| Ru3—Ru1—As3—C32 | 75.45 (6) | C46—S3—C41—C40 | 8.04 (18) |
| Ru2—Ru1—As3—C32 | 124.61 (5) | C40—C41—C42—C43 | −0.5 (3) |
| C49—Ru1—As3—C38 | 49.87 (7) | S3—C41—C42—C43 | 179.43 (14) |
| C48—Ru1—As3—C38 | −42.92 (7) | C41—C42—C43—C38 | −0.4 (3) |
| C47—Ru1—As3—C38 | 143.01 (7) | C39—C38—C43—C42 | 0.6 (3) |
| Ru3—Ru1—As3—C38 | −166.60 (6) | As3—C38—C43—C42 | 178.66 (14) |
| Ru2—Ru1—As3—C38 | −117.44 (5) |
| Cg1, Cg2, Cg3, Cg4 and Cg5 are the centroids of the C26–C31, C32–C37, C1–C6, C14–C19 and C38–C43 benzene rings, respectively. |
| H··· | ||||
| C3—H3A···Cg1ii | 0.93 | 2.59 | 3.609 (2) | 134 |
| C10—H10A···Cg2iii | 0.93 | 2.91 | 3.788 (2) | 156 |
| C24—H24A···Cg3iv | 0.93 | 2.96 | 3.676 (2) | 136 |
| C42—H42A···Cg4v | 0.93 | 2.81 | 3.641 (2) | 155 |
| C46—H46C···Cg5vi | 0.96 | 2.90 | 3.742 (2) | 152 |
Hydrogen-bond geometry (Å, °)
Cg1, Cg2, Cg3, Cg4 and Cg5 are the centroids of the C26–C31, C32–C37, C1–C6, C14–C19 and C38–C43 benzene rings, respectively.
| H⋯ | ||||
|---|---|---|---|---|
| C3—H3 | 0.93 | 2.59 | 3.609 (2) | 134 |
| C10—H10 | 0.93 | 2.91 | 3.788 (2) | 156 |
| C24—H24 | 0.93 | 2.96 | 3.676 (2) | 136 |
| C42—H42 | 0.93 | 2.81 | 3.641 (2) | 155 |
| C46—H46 | 0.96 | 2.90 | 3.742 (2) | 152 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) .