| Literature DB >> 21522879 |
Omar Bin Shawkataly, Imthyaz Ahmed Khan, H A Hafiz Malik, Chin Sing Yeap, Hoong-Kun Fun.
Abstract
The asymmetric unit of the title triangulo-triruthenium compound, 2[Ru(3)(C(25)H(22)P(2))(C(19)H(17)PS)(CO)(9)]·CH(2)Cl(2), contains one triangulo-triruthenium complex mol-ecule and one half-mol-ecule of the dichloro-methane solvent. The dichloro-methane solvent mol-ecule lies across a crystallographic inversion center leading to the mol-ecule being disordered over two positions of equal occupancy. The bis-(diphenyl-phosphan-yl)methane ligand bridges an Ru-Ru bond and the monodentate phosphane ligand bonds to the third Ru atom. All phosphane 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 three phosphane-substituted benzene rings make dihedral angles of 87.18 (11), 59.59 (10) and 89.28 (11)° with each other. The dihedral angles between the two benzene rings are 78.48 (11) and 87.58 (11)° for the two diphenyl-phosphanyl groups. In the crystal, the mol-ecules are stacked along the a axis. Weak inter-molecular C-H⋯π inter-actions stabilize the crystal structure.Entities:
Year: 2011 PMID: 21522879 PMCID: PMC3051800 DOI: 10.1107/S1600536811000778
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| 2[Ru3(C25H22P2)(C19H17PS)(CO)9]·CH2Cl2 | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 9836 reflections | |
| θ = 2.3–38.1° | |
| µ = 1.15 mm−1 | |
| α = 96.260 (1)° | |
| β = 104.180 (1)° | Block, brown |
| γ = 102.900 (1)° | 0.22 × 0.18 × 0.11 mm |
| Bruker SMART APEXII CCD area-detector diffractometer | 21813 independent reflections |
| Radiation source: fine-focus sealed tube | 17718 reflections with |
| graphite | |
| φ and ω scans | θmax = 35.0°, θmin = 1.7° |
| Absorption correction: multi-scan ( | |
| 87820 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 | |
| 21813 reflections | (Δ/σ)max = 0.004 |
| 640 parameters | Δρmax = 2.74 e Å−3 |
| 0 restraints | Δρmin = −1.71 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 | 0.837948 (15) | 1.157405 (12) | 0.261089 (8) | 0.01366 (3) | |
| Ru2 | 0.594161 (15) | 0.998567 (12) | 0.186830 (8) | 0.01233 (3) | |
| Ru3 | 0.780393 (15) | 0.930855 (12) | 0.290459 (8) | 0.01330 (3) | |
| P1 | 0.43487 (5) | 0.83385 (4) | 0.17996 (2) | 0.01279 (8) | |
| P2 | 0.67393 (5) | 0.74300 (4) | 0.24661 (3) | 0.01323 (8) | |
| P3 | 1.05584 (5) | 1.26909 (4) | 0.31731 (3) | 0.01495 (9) | |
| S1 | 1.32009 (6) | 1.43275 (5) | 0.08033 (3) | 0.02441 (11) | |
| O1 | 0.91609 (17) | 1.10604 (14) | 0.12550 (8) | 0.0237 (3) | |
| O2 | 0.70316 (18) | 1.32691 (14) | 0.19956 (9) | 0.0261 (3) | |
| O3 | 0.77257 (18) | 1.20410 (15) | 0.40045 (9) | 0.0284 (4) | |
| O4 | 0.71518 (16) | 0.87246 (14) | 0.08966 (8) | 0.0230 (3) | |
| O5 | 0.49337 (16) | 1.14768 (13) | 0.28241 (9) | 0.0233 (3) | |
| O6 | 0.46309 (19) | 1.09054 (16) | 0.06142 (9) | 0.0307 (4) | |
| O7 | 0.98385 (17) | 0.92717 (15) | 0.20611 (10) | 0.0270 (3) | |
| O8 | 0.97139 (17) | 0.88439 (15) | 0.41640 (9) | 0.0250 (3) | |
| O9 | 0.59365 (16) | 0.97317 (13) | 0.37958 (8) | 0.0219 (3) | |
| C1 | 0.3005 (2) | 0.78383 (16) | 0.09879 (10) | 0.0159 (3) | |
| C2 | 0.3332 (2) | 0.78725 (18) | 0.03562 (10) | 0.0196 (4) | |
| H2A | 0.4211 | 0.8169 | 0.0359 | 0.024* | |
| C3 | 0.2361 (2) | 0.74697 (19) | −0.02733 (11) | 0.0237 (4) | |
| H3A | 0.2591 | 0.7485 | −0.0691 | 0.028* | |
| C4 | 0.1040 (2) | 0.70415 (19) | −0.02823 (12) | 0.0258 (4) | |
| H4A | 0.0385 | 0.6781 | −0.0705 | 0.031* | |
| C5 | 0.0704 (2) | 0.7004 (2) | 0.03363 (13) | 0.0274 (5) | |
| H5A | −0.0179 | 0.6714 | 0.0329 | 0.033* | |
| C6 | 0.1681 (2) | 0.73989 (19) | 0.09747 (11) | 0.0222 (4) | |
| H6A | 0.1448 | 0.7369 | 0.1391 | 0.027* | |
| C7 | 0.35137 (19) | 0.82431 (16) | 0.24873 (10) | 0.0152 (3) | |
| C8 | 0.2855 (2) | 0.90548 (17) | 0.26281 (11) | 0.0181 (3) | |
| H8A | 0.2781 | 0.9593 | 0.2344 | 0.022* | |
| C9 | 0.2311 (2) | 0.90620 (19) | 0.31900 (11) | 0.0214 (4) | |
| H9A | 0.1885 | 0.9611 | 0.3284 | 0.026* | |
| C10 | 0.2401 (2) | 0.8252 (2) | 0.36132 (12) | 0.0254 (4) | |
| H10A | 0.2047 | 0.8266 | 0.3993 | 0.031* | |
| C11 | 0.3017 (2) | 0.7428 (2) | 0.34666 (12) | 0.0242 (4) | |
| H11A | 0.3066 | 0.6879 | 0.3744 | 0.029* | |
| C12 | 0.3567 (2) | 0.74156 (17) | 0.29038 (11) | 0.0186 (4) | |
| H12A | 0.3971 | 0.6853 | 0.2805 | 0.022* | |
| C13 | 0.51207 (19) | 0.71602 (15) | 0.18003 (10) | 0.0145 (3) | |
| H13A | 0.5248 | 0.6977 | 0.1343 | 0.017* | |
| H13B | 0.4512 | 0.6514 | 0.1878 | 0.017* | |
| C14 | 0.63549 (19) | 0.64811 (16) | 0.30693 (10) | 0.0146 (3) | |
| C15 | 0.6455 (2) | 0.68838 (17) | 0.37605 (10) | 0.0186 (4) | |
| H15A | 0.6775 | 0.7647 | 0.3932 | 0.022* | |
| C16 | 0.6080 (2) | 0.61558 (18) | 0.41975 (11) | 0.0225 (4) | |
| H16A | 0.6139 | 0.6435 | 0.4656 | 0.027* | |
| C17 | 0.5619 (2) | 0.50136 (18) | 0.39500 (12) | 0.0235 (4) | |
| H17A | 0.5359 | 0.4528 | 0.4240 | 0.028* | |
| C18 | 0.5550 (2) | 0.45995 (18) | 0.32651 (12) | 0.0226 (4) | |
| H18A | 0.5265 | 0.3833 | 0.3102 | 0.027* | |
| C19 | 0.5903 (2) | 0.53249 (17) | 0.28256 (11) | 0.0184 (3) | |
| H19A | 0.5841 | 0.5043 | 0.2367 | 0.022* | |
| C20 | 0.7655 (2) | 0.66612 (16) | 0.20189 (11) | 0.0167 (3) | |
| C21 | 0.8994 (2) | 0.67841 (17) | 0.23616 (12) | 0.0199 (4) | |
| H21A | 0.9381 | 0.7256 | 0.2791 | 0.024* | |
| C22 | 0.9748 (2) | 0.62100 (19) | 0.20680 (13) | 0.0235 (4) | |
| H22A | 1.0641 | 0.6303 | 0.2298 | 0.028* | |
| C23 | 0.9174 (2) | 0.54943 (19) | 0.14297 (13) | 0.0240 (4) | |
| H23A | 0.9682 | 0.5108 | 0.1233 | 0.029* | |
| C24 | 0.7849 (2) | 0.53592 (19) | 0.10887 (12) | 0.0227 (4) | |
| H24A | 0.7465 | 0.4880 | 0.0662 | 0.027* | |
| C25 | 0.7084 (2) | 0.59360 (17) | 0.13801 (11) | 0.0192 (4) | |
| H25A | 0.6190 | 0.5838 | 0.1149 | 0.023* | |
| C26 | 1.1750 (2) | 1.21173 (16) | 0.37579 (10) | 0.0168 (3) | |
| C27 | 1.3092 (2) | 1.22971 (18) | 0.37581 (11) | 0.0202 (4) | |
| H27A | 1.3403 | 1.2721 | 0.3451 | 0.024* | |
| C28 | 1.3962 (2) | 1.18506 (19) | 0.42107 (11) | 0.0220 (4) | |
| H28A | 1.4846 | 1.1975 | 0.4203 | 0.026* | |
| C29 | 1.3514 (2) | 1.12195 (19) | 0.46744 (11) | 0.0216 (4) | |
| H29A | 1.4098 | 1.0923 | 0.4978 | 0.026* | |
| C30 | 1.2194 (2) | 1.10329 (18) | 0.46837 (11) | 0.0203 (4) | |
| H30A | 1.1892 | 1.0606 | 0.4992 | 0.024* | |
| C31 | 1.1317 (2) | 1.14823 (17) | 0.42321 (11) | 0.0190 (4) | |
| H31A | 1.0435 | 1.1359 | 0.4246 | 0.023* | |
| C32 | 1.0630 (2) | 1.40060 (16) | 0.37212 (10) | 0.0173 (3) | |
| C33 | 0.9553 (2) | 1.4472 (2) | 0.36079 (13) | 0.0270 (5) | |
| H33A | 0.8775 | 1.4100 | 0.3263 | 0.032* | |
| C34 | 0.9608 (3) | 1.5484 (2) | 0.39975 (13) | 0.0279 (5) | |
| H34A | 0.8878 | 1.5788 | 0.3905 | 0.033* | |
| C35 | 1.0748 (2) | 1.60378 (18) | 0.45236 (11) | 0.0234 (4) | |
| H35A | 1.0785 | 1.6708 | 0.4791 | 0.028* | |
| C36 | 1.1832 (3) | 1.5583 (2) | 0.46469 (13) | 0.0304 (5) | |
| H36A | 1.2602 | 1.5953 | 0.4998 | 0.036* | |
| C37 | 1.1781 (2) | 1.45736 (19) | 0.42489 (12) | 0.0257 (4) | |
| H37A | 1.2517 | 1.4278 | 0.4336 | 0.031* | |
| C38 | 1.1454 (2) | 1.31731 (16) | 0.25485 (10) | 0.0166 (3) | |
| C39 | 1.1601 (2) | 1.42591 (17) | 0.24096 (11) | 0.0179 (3) | |
| H39A | 1.1326 | 1.4773 | 0.2674 | 0.022* | |
| C40 | 1.2153 (2) | 1.45860 (17) | 0.18801 (11) | 0.0190 (4) | |
| H40A | 1.2223 | 1.5308 | 0.1787 | 0.023* | |
| C41 | 1.2601 (2) | 1.38383 (17) | 0.14886 (10) | 0.0175 (3) | |
| C42 | 1.2494 (2) | 1.27573 (17) | 0.16348 (11) | 0.0197 (4) | |
| H42A | 1.2810 | 1.2256 | 0.1385 | 0.024* | |
| C43 | 1.1912 (2) | 1.24295 (17) | 0.21545 (11) | 0.0199 (4) | |
| H43A | 1.1827 | 1.1703 | 0.2241 | 0.024* | |
| C44 | 1.3978 (3) | 1.3274 (2) | 0.05386 (16) | 0.0389 (7) | |
| H44A | 1.4340 | 1.3473 | 0.0163 | 0.058* | |
| H44B | 1.3327 | 1.2566 | 0.0386 | 0.058* | |
| H44C | 1.4682 | 1.3224 | 0.0926 | 0.058* | |
| C45 | 0.8849 (2) | 1.11987 (16) | 0.17560 (11) | 0.0180 (3) | |
| C46 | 0.7595 (2) | 1.26603 (17) | 0.22321 (11) | 0.0185 (4) | |
| C47 | 0.7932 (2) | 1.17875 (18) | 0.34831 (11) | 0.0206 (4) | |
| C48 | 0.6764 (2) | 0.92090 (17) | 0.12839 (10) | 0.0168 (3) | |
| C49 | 0.5344 (2) | 1.09059 (16) | 0.25009 (10) | 0.0168 (3) | |
| C50 | 0.5111 (2) | 1.05834 (17) | 0.10979 (11) | 0.0186 (4) | |
| C51 | 0.9068 (2) | 0.93514 (17) | 0.23563 (11) | 0.0195 (4) | |
| C52 | 0.9029 (2) | 0.90592 (17) | 0.36893 (11) | 0.0181 (3) | |
| C53 | 0.6593 (2) | 0.95889 (16) | 0.34399 (10) | 0.0174 (3) | |
| Cl1 | 0.13190 (9) | 1.00231 (8) | 0.04461 (5) | 0.0540 (2) | |
| C54 | 0.0346 (6) | 1.0646 (4) | −0.0049 (3) | 0.0318 (10) | 0.50 |
| H54A | 0.0745 | 1.0841 | −0.0413 | 0.038* | 0.50 |
| H54B | 0.0376 | 1.1334 | 0.0229 | 0.038* | 0.50 |
| Ru1 | 0.01402 (7) | 0.01148 (6) | 0.01443 (6) | 0.00121 (5) | 0.00397 (5) | 0.00218 (5) |
| Ru2 | 0.01216 (6) | 0.01174 (6) | 0.01320 (6) | 0.00280 (5) | 0.00398 (5) | 0.00220 (4) |
| Ru3 | 0.01274 (6) | 0.01153 (6) | 0.01471 (6) | 0.00227 (5) | 0.00285 (5) | 0.00247 (5) |
| P1 | 0.0122 (2) | 0.01268 (19) | 0.01312 (19) | 0.00267 (16) | 0.00349 (16) | 0.00181 (15) |
| P2 | 0.0137 (2) | 0.01182 (19) | 0.0146 (2) | 0.00328 (16) | 0.00476 (16) | 0.00251 (15) |
| P3 | 0.0148 (2) | 0.0129 (2) | 0.0163 (2) | 0.00181 (16) | 0.00454 (17) | 0.00195 (16) |
| S1 | 0.0311 (3) | 0.0224 (2) | 0.0211 (2) | 0.0038 (2) | 0.0121 (2) | 0.00478 (19) |
| O1 | 0.0277 (8) | 0.0232 (7) | 0.0209 (7) | 0.0041 (6) | 0.0103 (6) | 0.0039 (6) |
| O2 | 0.0330 (9) | 0.0218 (7) | 0.0262 (8) | 0.0120 (7) | 0.0074 (7) | 0.0068 (6) |
| O3 | 0.0319 (9) | 0.0285 (8) | 0.0208 (7) | −0.0019 (7) | 0.0118 (7) | −0.0032 (6) |
| O4 | 0.0207 (7) | 0.0258 (8) | 0.0223 (7) | 0.0060 (6) | 0.0080 (6) | −0.0011 (6) |
| O5 | 0.0229 (8) | 0.0203 (7) | 0.0278 (8) | 0.0061 (6) | 0.0107 (6) | −0.0011 (6) |
| O6 | 0.0338 (10) | 0.0336 (9) | 0.0269 (8) | 0.0132 (8) | 0.0049 (7) | 0.0139 (7) |
| O7 | 0.0237 (8) | 0.0314 (9) | 0.0353 (9) | 0.0136 (7) | 0.0154 (7) | 0.0159 (7) |
| O8 | 0.0211 (8) | 0.0320 (9) | 0.0230 (7) | 0.0097 (6) | 0.0031 (6) | 0.0099 (6) |
| O9 | 0.0225 (8) | 0.0237 (7) | 0.0212 (7) | 0.0060 (6) | 0.0085 (6) | 0.0049 (6) |
| C1 | 0.0153 (8) | 0.0147 (8) | 0.0160 (8) | 0.0033 (6) | 0.0020 (6) | 0.0014 (6) |
| C2 | 0.0174 (9) | 0.0244 (9) | 0.0155 (8) | 0.0050 (7) | 0.0030 (7) | 0.0011 (7) |
| C3 | 0.0276 (11) | 0.0250 (10) | 0.0156 (8) | 0.0087 (8) | 0.0007 (8) | 0.0005 (7) |
| C4 | 0.0258 (11) | 0.0223 (10) | 0.0205 (9) | 0.0015 (8) | −0.0040 (8) | 0.0000 (8) |
| C5 | 0.0169 (10) | 0.0306 (11) | 0.0265 (11) | −0.0029 (8) | −0.0016 (8) | 0.0070 (9) |
| C6 | 0.0176 (9) | 0.0251 (10) | 0.0203 (9) | −0.0005 (7) | 0.0035 (7) | 0.0062 (7) |
| C7 | 0.0138 (8) | 0.0159 (8) | 0.0157 (8) | 0.0019 (6) | 0.0061 (6) | 0.0014 (6) |
| C8 | 0.0151 (8) | 0.0185 (8) | 0.0210 (9) | 0.0045 (7) | 0.0061 (7) | 0.0019 (7) |
| C9 | 0.0178 (9) | 0.0235 (10) | 0.0230 (9) | 0.0058 (7) | 0.0078 (8) | −0.0009 (7) |
| C10 | 0.0228 (10) | 0.0343 (12) | 0.0218 (10) | 0.0071 (9) | 0.0116 (8) | 0.0041 (8) |
| C11 | 0.0257 (11) | 0.0292 (11) | 0.0223 (10) | 0.0076 (9) | 0.0121 (8) | 0.0106 (8) |
| C12 | 0.0197 (9) | 0.0170 (8) | 0.0215 (9) | 0.0051 (7) | 0.0090 (7) | 0.0050 (7) |
| C13 | 0.0141 (8) | 0.0132 (7) | 0.0149 (7) | 0.0033 (6) | 0.0029 (6) | 0.0007 (6) |
| C14 | 0.0145 (8) | 0.0139 (7) | 0.0172 (8) | 0.0054 (6) | 0.0053 (6) | 0.0045 (6) |
| C15 | 0.0246 (10) | 0.0146 (8) | 0.0164 (8) | 0.0047 (7) | 0.0052 (7) | 0.0029 (6) |
| C16 | 0.0308 (11) | 0.0201 (9) | 0.0162 (8) | 0.0052 (8) | 0.0067 (8) | 0.0041 (7) |
| C17 | 0.0282 (11) | 0.0199 (9) | 0.0230 (10) | 0.0031 (8) | 0.0089 (8) | 0.0088 (8) |
| C18 | 0.0274 (11) | 0.0143 (8) | 0.0253 (10) | 0.0009 (7) | 0.0097 (8) | 0.0044 (7) |
| C19 | 0.0197 (9) | 0.0160 (8) | 0.0193 (8) | 0.0033 (7) | 0.0062 (7) | 0.0027 (7) |
| C20 | 0.0183 (9) | 0.0141 (8) | 0.0209 (9) | 0.0055 (7) | 0.0094 (7) | 0.0044 (6) |
| C21 | 0.0171 (9) | 0.0175 (8) | 0.0259 (10) | 0.0047 (7) | 0.0072 (8) | 0.0040 (7) |
| C22 | 0.0179 (9) | 0.0203 (9) | 0.0353 (12) | 0.0075 (8) | 0.0100 (9) | 0.0063 (8) |
| C23 | 0.0249 (10) | 0.0208 (9) | 0.0339 (11) | 0.0108 (8) | 0.0166 (9) | 0.0063 (8) |
| C24 | 0.0275 (11) | 0.0220 (9) | 0.0220 (9) | 0.0106 (8) | 0.0100 (8) | 0.0025 (7) |
| C25 | 0.0197 (9) | 0.0195 (9) | 0.0196 (9) | 0.0080 (7) | 0.0051 (7) | 0.0029 (7) |
| C26 | 0.0161 (8) | 0.0156 (8) | 0.0175 (8) | 0.0029 (6) | 0.0041 (7) | 0.0016 (6) |
| C27 | 0.0186 (9) | 0.0218 (9) | 0.0207 (9) | 0.0046 (7) | 0.0066 (7) | 0.0049 (7) |
| C28 | 0.0185 (9) | 0.0263 (10) | 0.0224 (9) | 0.0064 (8) | 0.0081 (8) | 0.0028 (8) |
| C29 | 0.0223 (10) | 0.0253 (10) | 0.0171 (8) | 0.0091 (8) | 0.0033 (7) | 0.0030 (7) |
| C30 | 0.0234 (10) | 0.0217 (9) | 0.0154 (8) | 0.0036 (8) | 0.0063 (7) | 0.0047 (7) |
| C31 | 0.0185 (9) | 0.0178 (8) | 0.0208 (9) | 0.0029 (7) | 0.0072 (7) | 0.0038 (7) |
| C32 | 0.0192 (9) | 0.0140 (8) | 0.0181 (8) | 0.0016 (7) | 0.0063 (7) | 0.0025 (6) |
| C33 | 0.0205 (10) | 0.0242 (10) | 0.0306 (11) | 0.0054 (8) | 0.0020 (9) | −0.0067 (8) |
| C34 | 0.0273 (11) | 0.0229 (10) | 0.0326 (12) | 0.0091 (9) | 0.0085 (9) | −0.0041 (9) |
| C35 | 0.0337 (12) | 0.0157 (9) | 0.0192 (9) | 0.0032 (8) | 0.0089 (8) | −0.0005 (7) |
| C36 | 0.0333 (13) | 0.0224 (10) | 0.0260 (11) | 0.0054 (9) | −0.0033 (9) | −0.0056 (8) |
| C37 | 0.0239 (11) | 0.0212 (10) | 0.0262 (10) | 0.0075 (8) | −0.0017 (8) | −0.0034 (8) |
| C38 | 0.0157 (8) | 0.0149 (8) | 0.0174 (8) | 0.0010 (6) | 0.0046 (7) | 0.0020 (6) |
| C39 | 0.0177 (9) | 0.0157 (8) | 0.0211 (9) | 0.0036 (7) | 0.0068 (7) | 0.0038 (7) |
| C40 | 0.0193 (9) | 0.0158 (8) | 0.0224 (9) | 0.0037 (7) | 0.0069 (7) | 0.0047 (7) |
| C41 | 0.0159 (8) | 0.0178 (8) | 0.0164 (8) | 0.0012 (7) | 0.0033 (7) | 0.0024 (6) |
| C42 | 0.0222 (10) | 0.0170 (8) | 0.0197 (9) | 0.0038 (7) | 0.0079 (7) | 0.0004 (7) |
| C43 | 0.0225 (10) | 0.0153 (8) | 0.0215 (9) | 0.0029 (7) | 0.0071 (8) | 0.0032 (7) |
| C44 | 0.0583 (19) | 0.0320 (13) | 0.0376 (14) | 0.0156 (13) | 0.0303 (14) | 0.0062 (11) |
| C45 | 0.0181 (9) | 0.0137 (8) | 0.0204 (9) | 0.0018 (7) | 0.0043 (7) | 0.0029 (6) |
| C46 | 0.0194 (9) | 0.0172 (8) | 0.0177 (8) | 0.0020 (7) | 0.0058 (7) | 0.0022 (7) |
| C47 | 0.0178 (9) | 0.0184 (9) | 0.0224 (9) | −0.0010 (7) | 0.0052 (7) | 0.0023 (7) |
| C48 | 0.0140 (8) | 0.0175 (8) | 0.0170 (8) | 0.0022 (6) | 0.0029 (6) | 0.0026 (6) |
| C49 | 0.0155 (8) | 0.0160 (8) | 0.0183 (8) | 0.0031 (6) | 0.0043 (7) | 0.0036 (6) |
| C50 | 0.0176 (9) | 0.0174 (8) | 0.0209 (9) | 0.0042 (7) | 0.0058 (7) | 0.0034 (7) |
| C51 | 0.0170 (9) | 0.0185 (9) | 0.0231 (9) | 0.0038 (7) | 0.0044 (7) | 0.0087 (7) |
| C52 | 0.0164 (9) | 0.0162 (8) | 0.0216 (9) | 0.0035 (7) | 0.0059 (7) | 0.0029 (7) |
| C53 | 0.0183 (9) | 0.0134 (8) | 0.0185 (8) | 0.0027 (7) | 0.0026 (7) | 0.0033 (6) |
| Cl1 | 0.0426 (4) | 0.0467 (4) | 0.0630 (5) | 0.0157 (3) | 0.0052 (4) | −0.0177 (4) |
| C54 | 0.038 (3) | 0.025 (2) | 0.036 (3) | 0.007 (2) | 0.019 (2) | 0.0016 (19) |
| Ru1—C46 | 1.880 (2) | C15—C16 | 1.392 (3) |
| Ru1—C47 | 1.931 (2) | C15—H15A | 0.9300 |
| Ru1—C45 | 1.941 (2) | C16—C17 | 1.389 (3) |
| Ru1—P3 | 2.3612 (5) | C16—H16A | 0.9300 |
| Ru1—Ru2 | 2.8463 (2) | C17—C18 | 1.392 (3) |
| Ru1—Ru3 | 2.9093 (2) | C17—H17A | 0.9300 |
| Ru2—C50 | 1.900 (2) | C18—C19 | 1.387 (3) |
| Ru2—C48 | 1.931 (2) | C18—H18A | 0.9300 |
| Ru2—C49 | 1.935 (2) | C19—H19A | 0.9300 |
| Ru2—P1 | 2.3248 (5) | C20—C21 | 1.396 (3) |
| Ru2—Ru3 | 2.8493 (2) | C20—C25 | 1.396 (3) |
| Ru3—C52 | 1.891 (2) | C21—C22 | 1.382 (3) |
| Ru3—C51 | 1.939 (2) | C21—H21A | 0.9300 |
| Ru3—C53 | 1.940 (2) | C22—C23 | 1.391 (3) |
| Ru3—P2 | 2.3288 (5) | C22—H22A | 0.9300 |
| P1—C7 | 1.8198 (19) | C23—C24 | 1.380 (3) |
| P1—C1 | 1.828 (2) | C23—H23A | 0.9300 |
| P1—C13 | 1.8392 (19) | C24—C25 | 1.392 (3) |
| P2—C20 | 1.830 (2) | C24—H24A | 0.9300 |
| P2—C14 | 1.8364 (19) | C25—H25A | 0.9300 |
| P2—C13 | 1.847 (2) | C26—C31 | 1.401 (3) |
| P3—C38 | 1.830 (2) | C26—C27 | 1.404 (3) |
| P3—C26 | 1.837 (2) | C27—C28 | 1.389 (3) |
| P3—C32 | 1.847 (2) | C27—H27A | 0.9300 |
| S1—C41 | 1.765 (2) | C28—C29 | 1.387 (3) |
| S1—C44 | 1.803 (3) | C28—H28A | 0.9300 |
| O1—C45 | 1.142 (3) | C29—C30 | 1.386 (3) |
| O2—C46 | 1.144 (3) | C29—H29A | 0.9300 |
| O3—C47 | 1.147 (3) | C30—C31 | 1.395 (3) |
| O4—C48 | 1.144 (2) | C30—H30A | 0.9300 |
| O5—C49 | 1.140 (2) | C31—H31A | 0.9300 |
| O6—C50 | 1.140 (3) | C32—C33 | 1.386 (3) |
| O7—C51 | 1.142 (3) | C32—C37 | 1.396 (3) |
| O8—C52 | 1.148 (3) | C33—C34 | 1.390 (3) |
| O9—C53 | 1.145 (3) | C33—H33A | 0.9300 |
| C1—C6 | 1.395 (3) | C34—C35 | 1.384 (3) |
| C1—C2 | 1.398 (3) | C34—H34A | 0.9300 |
| C2—C3 | 1.384 (3) | C35—C36 | 1.384 (4) |
| C2—H2A | 0.9300 | C35—H35A | 0.9300 |
| C3—C4 | 1.391 (3) | C36—C37 | 1.397 (3) |
| C3—H3A | 0.9300 | C36—H36A | 0.9300 |
| C4—C5 | 1.377 (3) | C37—H37A | 0.9300 |
| C4—H4A | 0.9300 | C38—C39 | 1.394 (3) |
| C5—C6 | 1.398 (3) | C38—C43 | 1.400 (3) |
| C5—H5A | 0.9300 | C39—C40 | 1.393 (3) |
| C6—H6A | 0.9300 | C39—H39A | 0.9300 |
| C7—C8 | 1.398 (3) | C40—C41 | 1.393 (3) |
| C7—C12 | 1.399 (3) | C40—H40A | 0.9300 |
| C8—C9 | 1.390 (3) | C41—C42 | 1.396 (3) |
| C8—H8A | 0.9300 | C42—C43 | 1.393 (3) |
| C9—C10 | 1.393 (3) | C42—H42A | 0.9300 |
| C9—H9A | 0.9300 | C43—H43A | 0.9300 |
| C10—C11 | 1.381 (3) | C44—H44A | 0.9600 |
| C10—H10A | 0.9300 | C44—H44B | 0.9600 |
| C11—C12 | 1.396 (3) | C44—H44C | 0.9600 |
| C11—H11A | 0.9300 | Cl1—C54 | 1.643 (6) |
| C12—H12A | 0.9300 | Cl1—C54i | 1.734 (6) |
| C13—H13A | 0.9700 | C54—C54i | 1.671 (10) |
| C13—H13B | 0.9700 | C54—Cl1i | 1.734 (6) |
| C14—C15 | 1.392 (3) | C54—H54A | 0.9600 |
| C14—C19 | 1.403 (3) | C54—H54B | 0.9600 |
| C46—Ru1—C47 | 95.35 (9) | C14—C15—H15A | 119.7 |
| C46—Ru1—C45 | 90.57 (9) | C17—C16—C15 | 120.16 (19) |
| C47—Ru1—C45 | 173.67 (9) | C17—C16—H16A | 119.9 |
| C46—Ru1—P3 | 99.89 (6) | C15—C16—H16A | 119.9 |
| C47—Ru1—P3 | 89.12 (6) | C16—C17—C18 | 119.66 (19) |
| C45—Ru1—P3 | 92.08 (6) | C16—C17—H17A | 120.2 |
| C46—Ru1—Ru2 | 86.49 (6) | C18—C17—H17A | 120.2 |
| C47—Ru1—Ru2 | 96.00 (6) | C19—C18—C17 | 120.26 (19) |
| C45—Ru1—Ru2 | 82.10 (6) | C19—C18—H18A | 119.9 |
| P3—Ru1—Ru2 | 171.443 (15) | C17—C18—H18A | 119.9 |
| C46—Ru1—Ru3 | 143.73 (6) | C18—C19—C14 | 120.40 (19) |
| C47—Ru1—Ru3 | 78.03 (6) | C18—C19—H19A | 119.8 |
| C45—Ru1—Ru3 | 95.87 (6) | C14—C19—H19A | 119.8 |
| P3—Ru1—Ru3 | 115.437 (14) | C21—C20—C25 | 118.95 (18) |
| Ru2—Ru1—Ru3 | 59.332 (5) | C21—C20—P2 | 116.83 (15) |
| C50—Ru2—C48 | 90.33 (9) | C25—C20—P2 | 124.17 (16) |
| C50—Ru2—C49 | 91.23 (9) | C22—C21—C20 | 120.5 (2) |
| C48—Ru2—C49 | 172.45 (8) | C22—C21—H21A | 119.7 |
| C50—Ru2—P1 | 102.20 (6) | C20—C21—H21A | 119.7 |
| C48—Ru2—P1 | 90.72 (6) | C21—C22—C23 | 120.2 (2) |
| C49—Ru2—P1 | 96.16 (6) | C21—C22—H22A | 119.9 |
| C50—Ru2—Ru1 | 107.96 (6) | C23—C22—H22A | 119.9 |
| C48—Ru2—Ru1 | 93.64 (6) | C24—C23—C22 | 119.9 (2) |
| C49—Ru2—Ru1 | 78.85 (6) | C24—C23—H23A | 120.1 |
| P1—Ru2—Ru1 | 149.487 (14) | C22—C23—H23A | 120.1 |
| C50—Ru2—Ru3 | 164.65 (6) | C23—C24—C25 | 120.3 (2) |
| C48—Ru2—Ru3 | 79.85 (6) | C23—C24—H24A | 119.8 |
| C49—Ru2—Ru3 | 97.03 (6) | C25—C24—H24A | 119.8 |
| P1—Ru2—Ru3 | 89.791 (13) | C24—C25—C20 | 120.2 (2) |
| Ru1—Ru2—Ru3 | 61.435 (5) | C24—C25—H25A | 119.9 |
| C52—Ru3—C51 | 91.69 (9) | C20—C25—H25A | 119.9 |
| C52—Ru3—C53 | 92.83 (9) | C31—C26—C27 | 118.04 (19) |
| C51—Ru3—C53 | 168.20 (8) | C31—C26—P3 | 119.12 (16) |
| C52—Ru3—P2 | 95.90 (6) | C27—C26—P3 | 122.83 (15) |
| C51—Ru3—P2 | 93.45 (6) | C28—C27—C26 | 121.00 (19) |
| C53—Ru3—P2 | 96.92 (6) | C28—C27—H27A | 119.5 |
| C52—Ru3—Ru2 | 170.80 (6) | C26—C27—H27A | 119.5 |
| C51—Ru3—Ru2 | 93.48 (6) | C29—C28—C27 | 120.2 (2) |
| C53—Ru3—Ru2 | 80.69 (6) | C29—C28—H28A | 119.9 |
| P2—Ru3—Ru2 | 91.383 (14) | C27—C28—H28A | 119.9 |
| C52—Ru3—Ru1 | 115.11 (6) | C30—C29—C28 | 119.8 (2) |
| C51—Ru3—Ru1 | 74.82 (6) | C30—C29—H29A | 120.1 |
| C53—Ru3—Ru1 | 93.40 (6) | C28—C29—H29A | 120.1 |
| P2—Ru3—Ru1 | 146.748 (14) | C29—C30—C31 | 120.33 (19) |
| Ru2—Ru3—Ru1 | 59.233 (5) | C29—C30—H30A | 119.8 |
| C7—P1—C1 | 104.73 (9) | C31—C30—H30A | 119.8 |
| C7—P1—C13 | 105.47 (9) | C30—C31—C26 | 120.67 (19) |
| C1—P1—C13 | 99.66 (9) | C30—C31—H31A | 119.7 |
| C7—P1—Ru2 | 117.89 (6) | C26—C31—H31A | 119.7 |
| C1—P1—Ru2 | 117.46 (7) | C33—C32—C37 | 118.1 (2) |
| C13—P1—Ru2 | 109.54 (6) | C33—C32—P3 | 120.83 (16) |
| C20—P2—C14 | 99.53 (9) | C37—C32—P3 | 121.07 (17) |
| C20—P2—C13 | 102.11 (9) | C32—C33—C34 | 121.6 (2) |
| C14—P2—C13 | 102.64 (9) | C32—C33—H33A | 119.2 |
| C20—P2—Ru3 | 115.33 (7) | C34—C33—H33A | 119.2 |
| C14—P2—Ru3 | 119.45 (6) | C35—C34—C33 | 120.0 (2) |
| C13—P2—Ru3 | 115.15 (6) | C35—C34—H34A | 120.0 |
| C38—P3—C26 | 102.93 (9) | C33—C34—H34A | 120.0 |
| C38—P3—C32 | 103.06 (9) | C36—C35—C34 | 119.2 (2) |
| C26—P3—C32 | 102.38 (9) | C36—C35—H35A | 120.4 |
| C38—P3—Ru1 | 112.00 (7) | C34—C35—H35A | 120.4 |
| C26—P3—Ru1 | 120.02 (7) | C35—C36—C37 | 120.7 (2) |
| C32—P3—Ru1 | 114.46 (7) | C35—C36—H36A | 119.7 |
| C41—S1—C44 | 103.48 (12) | C37—C36—H36A | 119.7 |
| C6—C1—C2 | 118.96 (18) | C32—C37—C36 | 120.4 (2) |
| C6—C1—P1 | 122.73 (15) | C32—C37—H37A | 119.8 |
| C2—C1—P1 | 118.28 (15) | C36—C37—H37A | 119.8 |
| C3—C2—C1 | 120.7 (2) | C39—C38—C43 | 118.14 (18) |
| C3—C2—H2A | 119.7 | C39—C38—P3 | 121.15 (15) |
| C1—C2—H2A | 119.7 | C43—C38—P3 | 120.49 (15) |
| C2—C3—C4 | 120.0 (2) | C40—C39—C38 | 120.94 (19) |
| C2—C3—H3A | 120.0 | C40—C39—H39A | 119.5 |
| C4—C3—H3A | 120.0 | C38—C39—H39A | 119.5 |
| C5—C4—C3 | 119.9 (2) | C39—C40—C41 | 120.48 (19) |
| C5—C4—H4A | 120.0 | C39—C40—H40A | 119.8 |
| C3—C4—H4A | 120.0 | C41—C40—H40A | 119.8 |
| C4—C5—C6 | 120.4 (2) | C40—C41—C42 | 119.17 (18) |
| C4—C5—H5A | 119.8 | C40—C41—S1 | 116.22 (15) |
| C6—C5—H5A | 119.8 | C42—C41—S1 | 124.54 (16) |
| C1—C6—C5 | 120.0 (2) | C43—C42—C41 | 119.97 (19) |
| C1—C6—H6A | 120.0 | C43—C42—H42A | 120.0 |
| C5—C6—H6A | 120.0 | C41—C42—H42A | 120.0 |
| C8—C7—C12 | 118.82 (18) | C42—C43—C38 | 121.26 (19) |
| C8—C7—P1 | 119.05 (15) | C42—C43—H43A | 119.4 |
| C12—C7—P1 | 122.05 (15) | C38—C43—H43A | 119.4 |
| C9—C8—C7 | 120.3 (2) | S1—C44—H44A | 109.5 |
| C9—C8—H8A | 119.8 | S1—C44—H44B | 109.5 |
| C7—C8—H8A | 119.8 | H44A—C44—H44B | 109.5 |
| C8—C9—C10 | 120.4 (2) | S1—C44—H44C | 109.5 |
| C8—C9—H9A | 119.8 | H44A—C44—H44C | 109.5 |
| C10—C9—H9A | 119.8 | H44B—C44—H44C | 109.5 |
| C11—C10—C9 | 119.7 (2) | O1—C45—Ru1 | 174.94 (18) |
| C11—C10—H10A | 120.2 | O2—C46—Ru1 | 175.11 (19) |
| C9—C10—H10A | 120.2 | O3—C47—Ru1 | 172.24 (19) |
| C10—C11—C12 | 120.3 (2) | O4—C48—Ru2 | 174.34 (18) |
| C10—C11—H11A | 119.9 | O5—C49—Ru2 | 174.10 (19) |
| C12—C11—H11A | 119.9 | O6—C50—Ru2 | 176.5 (2) |
| C11—C12—C7 | 120.43 (19) | O7—C51—Ru3 | 172.32 (18) |
| C11—C12—H12A | 119.8 | O8—C52—Ru3 | 175.55 (18) |
| C7—C12—H12A | 119.8 | O9—C53—Ru3 | 174.99 (18) |
| P1—C13—P2 | 114.17 (10) | C54—Cl1—C54i | 59.2 (3) |
| P1—C13—H13A | 108.7 | Cl1—C54—C54i | 63.1 (4) |
| P2—C13—H13A | 108.7 | Cl1—C54—Cl1i | 120.8 (3) |
| P1—C13—H13B | 108.7 | C54i—C54—Cl1i | 57.7 (3) |
| P2—C13—H13B | 108.7 | Cl1—C54—H54A | 106.9 |
| H13A—C13—H13B | 107.6 | C54i—C54—H54A | 126.1 |
| C15—C14—C19 | 118.86 (17) | Cl1i—C54—H54A | 107.0 |
| C15—C14—P2 | 121.51 (15) | Cl1—C54—H54B | 107.2 |
| C19—C14—P2 | 119.60 (15) | C54i—C54—H54B | 126.8 |
| C16—C15—C14 | 120.63 (19) | Cl1i—C54—H54B | 107.3 |
| C16—C15—H15A | 119.7 | H54A—C54—H54B | 107.0 |
| C46—Ru1—Ru2—C50 | 24.83 (9) | C7—P1—C1—C2 | 176.39 (16) |
| C47—Ru1—Ru2—C50 | 119.85 (9) | C13—P1—C1—C2 | −74.67 (18) |
| C45—Ru1—Ru2—C50 | −66.23 (9) | Ru2—P1—C1—C2 | 43.42 (18) |
| Ru3—Ru1—Ru2—C50 | −167.90 (7) | C6—C1—C2—C3 | −0.5 (3) |
| C46—Ru1—Ru2—C48 | 116.36 (9) | P1—C1—C2—C3 | 177.81 (17) |
| C47—Ru1—Ru2—C48 | −148.62 (9) | C1—C2—C3—C4 | 1.0 (3) |
| C45—Ru1—Ru2—C48 | 25.30 (9) | C2—C3—C4—C5 | −1.0 (4) |
| C46—Ru1—Ru2—C49 | −62.83 (9) | C3—C4—C5—C6 | 0.3 (4) |
| C47—Ru1—Ru2—C49 | 32.19 (9) | C2—C1—C6—C5 | −0.2 (3) |
| C45—Ru1—Ru2—C49 | −153.89 (9) | P1—C1—C6—C5 | −178.36 (18) |
| Ru3—Ru1—Ru2—C49 | 104.44 (6) | C4—C5—C6—C1 | 0.2 (4) |
| C46—Ru1—Ru2—P1 | −146.01 (7) | C1—P1—C7—C8 | −77.05 (17) |
| C47—Ru1—Ru2—P1 | −50.99 (7) | C13—P1—C7—C8 | 178.31 (16) |
| C45—Ru1—Ru2—P1 | 122.93 (7) | Ru2—P1—C7—C8 | 55.69 (18) |
| Ru3—Ru1—Ru2—P1 | 21.26 (3) | C1—P1—C7—C12 | 106.28 (18) |
| C46—Ru1—Ru2—Ru3 | −167.27 (6) | C13—P1—C7—C12 | 1.63 (19) |
| C47—Ru1—Ru2—Ru3 | −72.25 (7) | Ru2—P1—C7—C12 | −120.99 (16) |
| C45—Ru1—Ru2—Ru3 | 101.67 (6) | C12—C7—C8—C9 | 2.6 (3) |
| C50—Ru2—Ru3—C51 | −21.1 (2) | P1—C7—C8—C9 | −174.22 (16) |
| C48—Ru2—Ru3—C51 | 29.81 (9) | C7—C8—C9—C10 | −0.9 (3) |
| C49—Ru2—Ru3—C51 | −143.23 (9) | C8—C9—C10—C11 | −0.9 (3) |
| P1—Ru2—Ru3—C51 | 120.58 (6) | C9—C10—C11—C12 | 1.0 (4) |
| Ru1—Ru2—Ru3—C51 | −70.03 (6) | C10—C11—C12—C7 | 0.7 (3) |
| C50—Ru2—Ru3—C53 | 148.5 (2) | C8—C7—C12—C11 | −2.5 (3) |
| C48—Ru2—Ru3—C53 | −160.52 (8) | P1—C7—C12—C11 | 174.19 (17) |
| C49—Ru2—Ru3—C53 | 26.44 (8) | C7—P1—C13—P2 | −82.10 (12) |
| P1—Ru2—Ru3—C53 | −69.75 (6) | C1—P1—C13—P2 | 169.55 (10) |
| Ru1—Ru2—Ru3—C53 | 99.64 (6) | Ru2—P1—C13—P2 | 45.71 (11) |
| C50—Ru2—Ru3—P2 | −114.7 (2) | C20—P2—C13—P1 | −145.16 (10) |
| C48—Ru2—Ru3—P2 | −63.73 (6) | C14—P2—C13—P1 | 112.03 (11) |
| C49—Ru2—Ru3—P2 | 123.23 (6) | Ru3—P2—C13—P1 | −19.42 (12) |
| P1—Ru2—Ru3—P2 | 27.042 (17) | C20—P2—C14—C15 | 138.44 (18) |
| Ru1—Ru2—Ru3—P2 | −163.569 (13) | C13—P2—C14—C15 | −116.75 (18) |
| C50—Ru2—Ru3—Ru1 | 48.9 (2) | Ru3—P2—C14—C15 | 12.1 (2) |
| C48—Ru2—Ru3—Ru1 | 99.84 (6) | C20—P2—C14—C19 | −43.90 (18) |
| C49—Ru2—Ru3—Ru1 | −73.20 (6) | C13—P2—C14—C19 | 60.91 (18) |
| P1—Ru2—Ru3—Ru1 | −169.389 (13) | Ru3—P2—C14—C19 | −170.27 (14) |
| C46—Ru1—Ru3—C52 | −149.96 (12) | C19—C14—C15—C16 | −1.7 (3) |
| C47—Ru1—Ru3—C52 | −67.31 (10) | P2—C14—C15—C16 | 176.00 (17) |
| C45—Ru1—Ru3—C52 | 111.01 (9) | C14—C15—C16—C17 | 0.9 (4) |
| P3—Ru1—Ru3—C52 | 15.90 (7) | C15—C16—C17—C18 | 0.8 (4) |
| Ru2—Ru1—Ru3—C52 | −171.78 (7) | C16—C17—C18—C19 | −1.8 (4) |
| C46—Ru1—Ru3—C51 | 125.40 (12) | C17—C18—C19—C14 | 1.0 (3) |
| C47—Ru1—Ru3—C51 | −151.95 (10) | C15—C14—C19—C18 | 0.7 (3) |
| C45—Ru1—Ru3—C51 | 26.37 (9) | P2—C14—C19—C18 | −177.03 (17) |
| P3—Ru1—Ru3—C51 | −68.75 (7) | C14—P2—C20—C21 | −80.89 (17) |
| Ru2—Ru1—Ru3—C51 | 103.57 (7) | C13—P2—C20—C21 | 173.86 (15) |
| C46—Ru1—Ru3—C53 | −55.23 (12) | Ru3—P2—C20—C21 | 48.24 (17) |
| C47—Ru1—Ru3—C53 | 27.42 (9) | C14—P2—C20—C25 | 96.33 (18) |
| C45—Ru1—Ru3—C53 | −154.26 (9) | C13—P2—C20—C25 | −8.92 (19) |
| P3—Ru1—Ru3—C53 | 110.62 (6) | Ru3—P2—C20—C25 | −134.54 (16) |
| Ru2—Ru1—Ru3—C53 | −77.06 (6) | C25—C20—C21—C22 | 1.0 (3) |
| C46—Ru1—Ru3—P2 | 52.87 (11) | P2—C20—C21—C22 | 178.35 (16) |
| C47—Ru1—Ru3—P2 | 135.52 (7) | C20—C21—C22—C23 | −0.6 (3) |
| C45—Ru1—Ru3—P2 | −46.16 (7) | C21—C22—C23—C24 | 0.1 (3) |
| P3—Ru1—Ru3—P2 | −141.27 (3) | C22—C23—C24—C25 | 0.0 (3) |
| Ru2—Ru1—Ru3—P2 | 31.04 (3) | C23—C24—C25—C20 | 0.3 (3) |
| C46—Ru1—Ru3—Ru2 | 21.83 (10) | C21—C20—C25—C24 | −0.8 (3) |
| C47—Ru1—Ru3—Ru2 | 104.47 (7) | P2—C20—C25—C24 | −178.00 (16) |
| C45—Ru1—Ru3—Ru2 | −77.20 (6) | C38—P3—C26—C31 | −168.44 (16) |
| P3—Ru1—Ru3—Ru2 | −172.320 (16) | C32—P3—C26—C31 | 84.83 (17) |
| C50—Ru2—P1—C7 | −112.21 (10) | Ru1—P3—C26—C31 | −43.23 (18) |
| C48—Ru2—P1—C7 | 157.30 (10) | C38—P3—C26—C27 | 12.31 (19) |
| C49—Ru2—P1—C7 | −19.60 (10) | C32—P3—C26—C27 | −94.41 (18) |
| Ru1—Ru2—P1—C7 | 58.87 (8) | Ru1—P3—C26—C27 | 137.52 (15) |
| Ru3—Ru2—P1—C7 | 77.45 (8) | C31—C26—C27—C28 | 0.6 (3) |
| C50—Ru2—P1—C1 | 14.61 (10) | P3—C26—C27—C28 | 179.80 (17) |
| C48—Ru2—P1—C1 | −75.89 (9) | C26—C27—C28—C29 | −0.3 (3) |
| C49—Ru2—P1—C1 | 107.22 (9) | C27—C28—C29—C30 | 0.2 (3) |
| Ru1—Ru2—P1—C1 | −174.31 (7) | C28—C29—C30—C31 | −0.4 (3) |
| Ru3—Ru2—P1—C1 | −155.74 (7) | C29—C30—C31—C26 | 0.7 (3) |
| C50—Ru2—P1—C13 | 127.26 (9) | C27—C26—C31—C30 | −0.8 (3) |
| C48—Ru2—P1—C13 | 36.77 (9) | P3—C26—C31—C30 | 179.95 (16) |
| C49—Ru2—P1—C13 | −140.13 (9) | C38—P3—C32—C33 | 99.6 (2) |
| Ru1—Ru2—P1—C13 | −61.65 (7) | C26—P3—C32—C33 | −153.73 (19) |
| Ru3—Ru2—P1—C13 | −43.08 (6) | Ru1—P3—C32—C33 | −22.2 (2) |
| C52—Ru3—P2—C20 | −76.67 (10) | C38—P3—C32—C37 | −78.7 (2) |
| C51—Ru3—P2—C20 | 15.39 (10) | C26—P3—C32—C37 | 27.9 (2) |
| C53—Ru3—P2—C20 | −170.26 (10) | Ru1—P3—C32—C37 | 159.44 (16) |
| Ru2—Ru3—P2—C20 | 108.95 (7) | C37—C32—C33—C34 | 0.9 (4) |
| Ru1—Ru3—P2—C20 | 82.64 (8) | P3—C32—C33—C34 | −177.5 (2) |
| C52—Ru3—P2—C14 | 41.86 (10) | C32—C33—C34—C35 | −1.4 (4) |
| C51—Ru3—P2—C14 | 133.92 (10) | C33—C34—C35—C36 | 1.1 (4) |
| C53—Ru3—P2—C14 | −51.73 (9) | C34—C35—C36—C37 | −0.3 (4) |
| Ru2—Ru3—P2—C14 | −132.51 (7) | C33—C32—C37—C36 | −0.1 (4) |
| Ru1—Ru3—P2—C14 | −158.83 (7) | P3—C32—C37—C36 | 178.3 (2) |
| C52—Ru3—P2—C13 | 164.73 (9) | C35—C36—C37—C32 | −0.2 (4) |
| C51—Ru3—P2—C13 | −103.21 (9) | C26—P3—C38—C39 | −127.87 (18) |
| C53—Ru3—P2—C13 | 71.14 (9) | C32—P3—C38—C39 | −21.7 (2) |
| Ru2—Ru3—P2—C13 | −9.64 (7) | Ru1—P3—C38—C39 | 101.86 (17) |
| Ru1—Ru3—P2—C13 | −35.96 (8) | C26—P3—C38—C43 | 57.53 (19) |
| C46—Ru1—P3—C38 | −68.34 (10) | C32—P3—C38—C43 | 163.74 (17) |
| C47—Ru1—P3—C38 | −163.62 (10) | Ru1—P3—C38—C43 | −72.75 (18) |
| C45—Ru1—P3—C38 | 22.60 (9) | C43—C38—C39—C40 | 1.8 (3) |
| Ru3—Ru1—P3—C38 | 120.10 (7) | P3—C38—C39—C40 | −172.90 (17) |
| C46—Ru1—P3—C26 | 170.85 (10) | C38—C39—C40—C41 | −1.6 (3) |
| C47—Ru1—P3—C26 | 75.57 (10) | C39—C40—C41—C42 | −0.1 (3) |
| C45—Ru1—P3—C26 | −98.21 (10) | C39—C40—C41—S1 | 176.83 (17) |
| Ru3—Ru1—P3—C26 | −0.72 (8) | C44—S1—C41—C40 | 169.09 (19) |
| C46—Ru1—P3—C32 | 48.50 (9) | C44—S1—C41—C42 | −14.1 (2) |
| C47—Ru1—P3—C32 | −46.77 (10) | C40—C41—C42—C43 | 1.6 (3) |
| C45—Ru1—P3—C32 | 139.44 (9) | S1—C41—C42—C43 | −175.09 (17) |
| Ru3—Ru1—P3—C32 | −123.06 (7) | C41—C42—C43—C38 | −1.4 (3) |
| C7—P1—C1—C6 | −5.4 (2) | C39—C38—C43—C42 | −0.3 (3) |
| C13—P1—C1—C6 | 103.55 (19) | P3—C38—C43—C42 | 174.42 (17) |
| Ru2—P1—C1—C6 | −138.36 (16) |
| Cg1, Cg2 and Cg3 are the centroids of the C26–C31, C14–C19 and C7–C12 benzene rings, respectively. |
| H··· | ||||
| C9—H9A···Cg1ii | 0.93 | 2.83 | 3.550 (2) | 135 |
| C12—H12A···Cg2 | 0.93 | 2.98 | 3.743 (2) | 140 |
| C16—H16A···Cg1iii | 0.93 | 2.90 | 3.696 (2) | 145 |
| C22—H22A···Cg3iv | 0.93 | 2.99 | 3.708 (3) | 136 |
| C34—H34A···Cg2v | 0.93 | 2.98 | 3.850 (3) | 156 |
Hydrogen-bond geometry (Å, °)
Cg1, Cg2 and Cg3 are the centroids of the C26–C31, C14–C19 and C7–C12 benzene rings, respectively.
| H⋯ | ||||
|---|---|---|---|---|
| C9—H9 | 0.93 | 2.83 | 3.550 (2) | 135 |
| C12—H12 | 0.93 | 2.98 | 3.743 (2) | 140 |
| C16—H16 | 0.93 | 2.90 | 3.696 (2) | 145 |
| C22—H22 | 0.93 | 2.99 | 3.708 (3) | 136 |
| C34—H34 | 0.93 | 2.98 | 3.850 (3) | 156 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .