| Literature DB >> 22719357 |
Omar Bin Shawkataly, Imthyaz Ahmed Khan, Siti Syaida Sirat, Ching Kheng Quah, Hoong-Kun Fun.
Abstract
In the title solvated triangulo-triruthenium compound, [Ru(3)(C(18)H(15)O(3)P)(C(29)H(30)P(2))(CO)(9)]·2CHCl(3), the bis-(di-o-tolyl-phosphan-yl)methane (dtpm) ligand bridges one of the Ru-Ru bonds and the monodentate phosphine ligand bonds to the third Ru atom. All the P atoms are equatorial with respect to the Ru(3) triangle: each Ru atom also bears one equatorial and two axial terminal carbonyl ligands. The dihedral angles between the two benzene rings are 75.92 (10) and 78.95 (10)° for the two diphenyl-phosphanyl groups of the dtpm ligand. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into chains along [010].Entities:
Year: 2012 PMID: 22719357 PMCID: PMC3379136 DOI: 10.1107/S1600536812023227
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Ru3(C18H15O3P)(C29H30P2)(CO)9]·2CHCl3 | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 9874 reflections | |
| θ = 3.2–35.1° | |
| µ = 1.14 mm−1 | |
| α = 83.374 (1)° | |
| β = 81.380 (1)° | Block, red |
| γ = 74.099 (1)° | 0.46 × 0.30 × 0.21 mm |
| Bruker SMART APEXII DUO CCD diffractometer | 21719 independent reflections |
| Radiation source: fine-focus sealed tube | 20112 reflections with |
| Graphite monochromator | |
| φ and ω scans | θmax = 32.5°, θmin = 1.2° |
| Absorption correction: multi-scan ( | |
| 85380 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 | |
| 21719 reflections | (Δ/σ)max = 0.001 |
| 739 parameters | Δρmax = 0.80 e Å−3 |
| 0 restraints | Δρmin = −2.35 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 K. |
| Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
| Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > 2sigma(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
| Ru1 | 0.240263 (11) | 0.185552 (9) | 0.760162 (8) | 0.01124 (3) | |
| Ru2 | 0.139490 (11) | 0.042574 (9) | 0.741319 (8) | 0.01144 (3) | |
| Ru3 | 0.371742 (11) | 0.004225 (9) | 0.726241 (9) | 0.01257 (3) | |
| Cl1 | 0.25562 (6) | 0.52361 (5) | 0.33076 (5) | 0.04271 (16) | |
| Cl2 | 0.12538 (5) | 0.45637 (5) | 0.46909 (5) | 0.03657 (13) | |
| Cl3 | 0.36034 (5) | 0.38965 (4) | 0.45163 (5) | 0.03466 (13) | |
| Cl4 | 0.52852 (14) | 0.70175 (18) | −0.02518 (12) | 0.1215 (8) | |
| Cl5 | 0.42893 (16) | 0.57336 (13) | 0.07960 (9) | 0.1085 (6) | |
| Cl6 | 0.29506 (11) | 0.73703 (11) | 0.00349 (7) | 0.0792 (4) | |
| P1 | 0.07219 (4) | 0.28676 (3) | 0.80611 (3) | 0.01138 (7) | |
| P2 | −0.03476 (4) | 0.14719 (3) | 0.73937 (3) | 0.01134 (7) | |
| P3 | 0.40041 (4) | −0.14531 (3) | 0.70099 (3) | 0.01292 (8) | |
| O1 | 0.41111 (13) | 0.29390 (12) | 0.74750 (11) | 0.0263 (3) | |
| O2 | 0.28642 (14) | 0.13480 (11) | 0.93808 (9) | 0.0236 (3) | |
| O3 | 0.21740 (13) | 0.23920 (11) | 0.57851 (9) | 0.0214 (3) | |
| O4 | 0.08630 (13) | −0.14160 (10) | 0.73528 (10) | 0.0222 (3) | |
| O5 | 0.12618 (15) | 0.00889 (12) | 0.92782 (10) | 0.0251 (3) | |
| O6 | 0.16771 (13) | 0.05646 (11) | 0.55394 (9) | 0.0216 (3) | |
| O7 | 0.37761 (18) | −0.06511 (13) | 0.90726 (10) | 0.0329 (4) | |
| O8 | 0.39758 (13) | 0.06056 (12) | 0.54290 (10) | 0.0246 (3) | |
| O9 | 0.60000 (14) | 0.03321 (13) | 0.71255 (13) | 0.0302 (4) | |
| O10 | 0.37818 (12) | −0.20987 (9) | 0.78295 (9) | 0.0171 (2) | |
| O11 | 0.32926 (11) | −0.16811 (10) | 0.63892 (9) | 0.0175 (2) | |
| O12 | 0.51964 (11) | −0.20142 (9) | 0.66005 (8) | 0.0150 (2) | |
| C1 | 0.04446 (15) | 0.41116 (12) | 0.77021 (11) | 0.0142 (3) | |
| C2 | −0.05015 (16) | 0.47984 (13) | 0.79789 (11) | 0.0170 (3) | |
| C3 | −0.06367 (18) | 0.57068 (13) | 0.76143 (12) | 0.0198 (3) | |
| H3A | −0.1274 | 0.6173 | 0.7789 | 0.024* | |
| C4 | 0.01266 (19) | 0.59495 (13) | 0.70076 (13) | 0.0217 (4) | |
| H4A | 0.0013 | 0.6573 | 0.6777 | 0.026* | |
| C5 | 0.10578 (18) | 0.52763 (14) | 0.67388 (12) | 0.0204 (3) | |
| H5A | 0.1586 | 0.5435 | 0.6324 | 0.024* | |
| C6 | 0.12075 (16) | 0.43657 (13) | 0.70855 (11) | 0.0164 (3) | |
| H6A | 0.1843 | 0.3905 | 0.6899 | 0.020* | |
| C7 | 0.04805 (15) | 0.28172 (12) | 0.91792 (10) | 0.0135 (3) | |
| C8 | 0.09537 (16) | 0.33086 (13) | 0.96319 (11) | 0.0172 (3) | |
| C9 | 0.07724 (18) | 0.31933 (15) | 1.04842 (12) | 0.0219 (4) | |
| H9A | 0.1068 | 0.3537 | 1.0795 | 0.026* | |
| C10 | 0.01774 (19) | 0.25965 (16) | 1.08900 (12) | 0.0232 (4) | |
| H10A | 0.0062 | 0.2538 | 1.1469 | 0.028* | |
| C11 | −0.02478 (18) | 0.20855 (15) | 1.04402 (12) | 0.0214 (4) | |
| H11A | −0.0639 | 0.1659 | 1.0710 | 0.026* | |
| C12 | −0.00992 (16) | 0.22004 (13) | 0.95941 (11) | 0.0161 (3) | |
| H12A | −0.0398 | 0.1852 | 0.9290 | 0.019* | |
| C13 | −0.05140 (14) | 0.26139 (12) | 0.77953 (11) | 0.0141 (3) | |
| H13A | −0.0829 | 0.3107 | 0.7384 | 0.017* | |
| H13B | −0.1057 | 0.2663 | 0.8289 | 0.017* | |
| C14 | −0.06622 (14) | 0.17926 (12) | 0.63406 (10) | 0.0121 (3) | |
| C15 | −0.10205 (14) | 0.11996 (12) | 0.59087 (11) | 0.0139 (3) | |
| C16 | −0.11396 (16) | 0.14461 (14) | 0.50842 (11) | 0.0171 (3) | |
| H16A | −0.1392 | 0.1055 | 0.4791 | 0.021* | |
| C17 | −0.09008 (16) | 0.22440 (14) | 0.46811 (11) | 0.0190 (3) | |
| H17A | −0.0989 | 0.2395 | 0.4121 | 0.023* | |
| C18 | −0.05320 (17) | 0.28189 (14) | 0.51062 (12) | 0.0184 (3) | |
| H18A | −0.0362 | 0.3365 | 0.4837 | 0.022* | |
| C19 | −0.04138 (15) | 0.25923 (12) | 0.59229 (11) | 0.0151 (3) | |
| H19A | −0.0158 | 0.2988 | 0.6208 | 0.018* | |
| C20 | −0.15337 (15) | 0.11352 (13) | 0.79839 (10) | 0.0147 (3) | |
| C21 | −0.26223 (16) | 0.16794 (14) | 0.79837 (12) | 0.0181 (3) | |
| C22 | −0.34495 (17) | 0.13524 (17) | 0.84719 (13) | 0.0235 (4) | |
| H22A | −0.4186 | 0.1711 | 0.8474 | 0.028* | |
| C23 | −0.32237 (18) | 0.05170 (17) | 0.89552 (13) | 0.0249 (4) | |
| H23A | −0.3801 | 0.0312 | 0.9281 | 0.030* | |
| C24 | −0.21559 (18) | −0.00126 (15) | 0.89598 (12) | 0.0219 (4) | |
| H24A | −0.1993 | −0.0582 | 0.9290 | 0.026* | |
| C25 | −0.13201 (16) | 0.02985 (14) | 0.84741 (11) | 0.0177 (3) | |
| H25A | −0.0587 | −0.0067 | 0.8476 | 0.021* | |
| C26 | −0.13764 (19) | 0.46205 (15) | 0.86455 (14) | 0.0259 (4) | |
| H26A | −0.1948 | 0.5200 | 0.8730 | 0.039* | |
| H26B | −0.1053 | 0.4393 | 0.9152 | 0.039* | |
| H26C | −0.1696 | 0.4153 | 0.8487 | 0.039* | |
| C27 | 0.1639 (2) | 0.39520 (17) | 0.92475 (13) | 0.0258 (4) | |
| H27A | 0.1882 | 0.4217 | 0.9675 | 0.039* | |
| H27B | 0.1204 | 0.4455 | 0.8910 | 0.039* | |
| H27C | 0.2278 | 0.3604 | 0.8907 | 0.039* | |
| C28 | −0.12718 (18) | 0.03084 (14) | 0.62834 (12) | 0.0197 (3) | |
| H28A | −0.1506 | 0.0012 | 0.5872 | 0.030* | |
| H28B | −0.1858 | 0.0444 | 0.6738 | 0.030* | |
| H28C | −0.0616 | −0.0111 | 0.6484 | 0.030* | |
| C29 | −0.29587 (17) | 0.26023 (16) | 0.74971 (14) | 0.0249 (4) | |
| H29A | −0.3754 | 0.2848 | 0.7595 | 0.037* | |
| H29B | −0.2735 | 0.2517 | 0.6916 | 0.037* | |
| H29C | −0.2605 | 0.3041 | 0.7665 | 0.037* | |
| C30 | 0.34552 (15) | 0.25359 (13) | 0.75230 (12) | 0.0165 (3) | |
| C31 | 0.26749 (16) | 0.14748 (13) | 0.87190 (12) | 0.0169 (3) | |
| C32 | 0.22388 (15) | 0.21423 (12) | 0.64591 (11) | 0.0153 (3) | |
| C33 | 0.10801 (15) | −0.07248 (13) | 0.73721 (11) | 0.0157 (3) | |
| C34 | 0.13502 (16) | 0.02545 (13) | 0.85854 (12) | 0.0176 (3) | |
| C35 | 0.16153 (15) | 0.05443 (13) | 0.62333 (11) | 0.0158 (3) | |
| C36 | 0.36844 (18) | −0.03512 (14) | 0.84181 (13) | 0.0208 (3) | |
| C37 | 0.37983 (15) | 0.04360 (13) | 0.61124 (12) | 0.0173 (3) | |
| C38 | 0.51501 (17) | 0.02119 (14) | 0.72039 (13) | 0.0201 (3) | |
| C39 | 0.37275 (16) | −0.30190 (13) | 0.78418 (12) | 0.0173 (3) | |
| C40 | 0.46430 (18) | −0.37270 (14) | 0.76288 (14) | 0.0233 (4) | |
| H40A | 0.5336 | −0.3604 | 0.7469 | 0.028* | |
| C41 | 0.4522 (2) | −0.46287 (16) | 0.76544 (17) | 0.0306 (5) | |
| H41A | 0.5138 | −0.5123 | 0.7499 | 0.037* | |
| C42 | 0.3509 (2) | −0.48106 (16) | 0.79045 (18) | 0.0337 (5) | |
| H42A | 0.3435 | −0.5426 | 0.7919 | 0.040* | |
| C43 | 0.2613 (2) | −0.40921 (17) | 0.81314 (17) | 0.0304 (5) | |
| H43A | 0.1925 | −0.4217 | 0.8312 | 0.036* | |
| C44 | 0.27115 (18) | −0.31881 (15) | 0.80980 (14) | 0.0223 (4) | |
| H44A | 0.2093 | −0.2693 | 0.8248 | 0.027* | |
| C45 | 0.36400 (15) | −0.22577 (13) | 0.57396 (12) | 0.0169 (3) | |
| C46 | 0.40476 (19) | −0.18904 (16) | 0.49954 (13) | 0.0240 (4) | |
| H46A | 0.4138 | −0.1277 | 0.4937 | 0.029* | |
| C47 | 0.4322 (2) | −0.2435 (2) | 0.43359 (15) | 0.0326 (5) | |
| H47A | 0.4604 | −0.2194 | 0.3821 | 0.039* | |
| C48 | 0.4184 (2) | −0.33311 (19) | 0.44246 (16) | 0.0340 (5) | |
| H48A | 0.4380 | −0.3704 | 0.3973 | 0.041* | |
| C49 | 0.3764 (2) | −0.36781 (16) | 0.51690 (16) | 0.0293 (5) | |
| H49A | 0.3665 | −0.4288 | 0.5225 | 0.035* | |
| C50 | 0.34808 (18) | −0.31425 (15) | 0.58425 (14) | 0.0220 (4) | |
| H50A | 0.3188 | −0.3379 | 0.6355 | 0.026* | |
| C51 | 0.61667 (14) | −0.19515 (12) | 0.68423 (11) | 0.0144 (3) | |
| C52 | 0.63069 (16) | −0.19898 (13) | 0.76580 (12) | 0.0181 (3) | |
| H52A | 0.5743 | −0.2075 | 0.8076 | 0.022* | |
| C53 | 0.72967 (18) | −0.19007 (14) | 0.78498 (14) | 0.0221 (4) | |
| H53A | 0.7401 | −0.1911 | 0.8404 | 0.026* | |
| C54 | 0.81255 (17) | −0.17980 (14) | 0.72407 (15) | 0.0234 (4) | |
| H54A | 0.8792 | −0.1730 | 0.7377 | 0.028* | |
| C55 | 0.79825 (16) | −0.17942 (14) | 0.64243 (14) | 0.0218 (4) | |
| H55A | 0.8561 | −0.1744 | 0.6007 | 0.026* | |
| C56 | 0.69940 (16) | −0.18638 (13) | 0.62196 (12) | 0.0175 (3) | |
| H56A | 0.6888 | −0.1851 | 0.5665 | 0.021* | |
| C57 | 0.24503 (17) | 0.42747 (15) | 0.40016 (15) | 0.0235 (4) | |
| H57A | 0.2411 | 0.3757 | 0.3688 | 0.028* | |
| C58 | 0.4194 (4) | 0.6485 (4) | −0.0080 (2) | 0.0709 (13) | |
| H58A | 0.4210 | 0.6131 | −0.0557 | 0.085* |
| Ru1 | 0.01275 (6) | 0.01008 (6) | 0.01143 (6) | −0.00347 (4) | −0.00121 (4) | −0.00222 (4) |
| Ru2 | 0.01249 (6) | 0.01028 (6) | 0.01241 (6) | −0.00334 (4) | −0.00257 (4) | −0.00223 (4) |
| Ru3 | 0.01249 (6) | 0.01098 (6) | 0.01448 (6) | −0.00259 (4) | −0.00173 (4) | −0.00314 (4) |
| Cl1 | 0.0345 (3) | 0.0383 (3) | 0.0509 (4) | −0.0095 (3) | −0.0052 (3) | 0.0150 (3) |
| Cl2 | 0.0243 (2) | 0.0383 (3) | 0.0438 (3) | −0.0061 (2) | 0.0048 (2) | −0.0070 (3) |
| Cl3 | 0.0258 (2) | 0.0271 (3) | 0.0505 (4) | 0.0004 (2) | −0.0141 (2) | −0.0061 (2) |
| Cl4 | 0.0678 (9) | 0.197 (2) | 0.0928 (11) | −0.0450 (11) | −0.0087 (8) | 0.0391 (13) |
| Cl5 | 0.1206 (13) | 0.1155 (12) | 0.0541 (7) | 0.0044 (10) | 0.0090 (7) | 0.0261 (7) |
| Cl6 | 0.0680 (7) | 0.1084 (10) | 0.0539 (6) | 0.0018 (6) | −0.0162 (5) | −0.0267 (6) |
| P1 | 0.01406 (18) | 0.01094 (17) | 0.00978 (17) | −0.00400 (14) | −0.00118 (13) | −0.00201 (13) |
| P2 | 0.01271 (17) | 0.01163 (17) | 0.01051 (17) | −0.00378 (14) | −0.00206 (13) | −0.00194 (13) |
| P3 | 0.01289 (18) | 0.01228 (18) | 0.01419 (18) | −0.00377 (14) | −0.00097 (14) | −0.00325 (14) |
| O1 | 0.0208 (7) | 0.0253 (7) | 0.0365 (9) | −0.0115 (6) | 0.0002 (6) | −0.0086 (6) |
| O2 | 0.0312 (8) | 0.0220 (7) | 0.0175 (6) | −0.0054 (6) | −0.0069 (6) | −0.0004 (5) |
| O3 | 0.0283 (7) | 0.0202 (6) | 0.0151 (6) | −0.0054 (5) | −0.0024 (5) | −0.0013 (5) |
| O4 | 0.0239 (7) | 0.0159 (6) | 0.0293 (8) | −0.0082 (5) | −0.0047 (6) | −0.0024 (5) |
| O5 | 0.0332 (8) | 0.0286 (8) | 0.0169 (6) | −0.0125 (6) | −0.0068 (6) | 0.0007 (5) |
| O6 | 0.0234 (7) | 0.0274 (7) | 0.0159 (6) | −0.0091 (6) | −0.0004 (5) | −0.0065 (5) |
| O7 | 0.0486 (11) | 0.0265 (8) | 0.0182 (7) | 0.0019 (7) | −0.0082 (7) | −0.0035 (6) |
| O8 | 0.0216 (7) | 0.0272 (7) | 0.0204 (7) | −0.0019 (6) | 0.0011 (5) | 0.0018 (6) |
| O9 | 0.0205 (7) | 0.0282 (8) | 0.0461 (10) | −0.0107 (6) | −0.0064 (7) | −0.0070 (7) |
| O10 | 0.0228 (6) | 0.0133 (5) | 0.0161 (6) | −0.0073 (5) | 0.0004 (5) | −0.0026 (4) |
| O11 | 0.0145 (6) | 0.0200 (6) | 0.0196 (6) | −0.0040 (5) | −0.0024 (5) | −0.0086 (5) |
| O12 | 0.0125 (5) | 0.0163 (6) | 0.0169 (6) | −0.0034 (4) | −0.0015 (4) | −0.0055 (4) |
| C1 | 0.0195 (7) | 0.0113 (6) | 0.0121 (7) | −0.0037 (6) | −0.0026 (6) | −0.0016 (5) |
| C2 | 0.0217 (8) | 0.0135 (7) | 0.0144 (7) | −0.0023 (6) | −0.0006 (6) | −0.0032 (6) |
| C3 | 0.0269 (9) | 0.0127 (7) | 0.0179 (8) | −0.0013 (6) | −0.0030 (7) | −0.0021 (6) |
| C4 | 0.0324 (10) | 0.0132 (7) | 0.0187 (8) | −0.0051 (7) | −0.0048 (7) | 0.0014 (6) |
| C5 | 0.0261 (9) | 0.0168 (8) | 0.0178 (8) | −0.0075 (7) | −0.0007 (7) | 0.0022 (6) |
| C6 | 0.0196 (8) | 0.0144 (7) | 0.0152 (7) | −0.0051 (6) | −0.0008 (6) | −0.0008 (6) |
| C7 | 0.0170 (7) | 0.0134 (7) | 0.0105 (6) | −0.0045 (6) | −0.0014 (5) | −0.0017 (5) |
| C8 | 0.0218 (8) | 0.0190 (8) | 0.0128 (7) | −0.0082 (6) | −0.0024 (6) | −0.0026 (6) |
| C9 | 0.0288 (10) | 0.0268 (9) | 0.0127 (7) | −0.0102 (8) | −0.0039 (7) | −0.0037 (7) |
| C10 | 0.0288 (10) | 0.0278 (10) | 0.0123 (7) | −0.0077 (8) | −0.0015 (7) | 0.0003 (7) |
| C11 | 0.0246 (9) | 0.0231 (9) | 0.0155 (8) | −0.0077 (7) | 0.0007 (7) | 0.0019 (6) |
| C12 | 0.0190 (8) | 0.0158 (7) | 0.0143 (7) | −0.0066 (6) | −0.0006 (6) | −0.0012 (6) |
| C13 | 0.0145 (7) | 0.0134 (7) | 0.0145 (7) | −0.0021 (5) | −0.0028 (5) | −0.0043 (5) |
| C14 | 0.0125 (6) | 0.0128 (6) | 0.0112 (6) | −0.0036 (5) | −0.0017 (5) | −0.0016 (5) |
| C15 | 0.0151 (7) | 0.0152 (7) | 0.0126 (7) | −0.0052 (6) | −0.0021 (5) | −0.0021 (5) |
| C16 | 0.0187 (8) | 0.0206 (8) | 0.0140 (7) | −0.0071 (6) | −0.0039 (6) | −0.0021 (6) |
| C17 | 0.0208 (8) | 0.0244 (9) | 0.0128 (7) | −0.0072 (7) | −0.0041 (6) | 0.0008 (6) |
| C18 | 0.0220 (8) | 0.0184 (8) | 0.0153 (7) | −0.0071 (6) | −0.0035 (6) | 0.0029 (6) |
| C19 | 0.0168 (7) | 0.0145 (7) | 0.0146 (7) | −0.0052 (6) | −0.0023 (6) | −0.0005 (5) |
| C20 | 0.0158 (7) | 0.0184 (7) | 0.0111 (7) | −0.0069 (6) | −0.0005 (5) | −0.0016 (5) |
| C21 | 0.0159 (7) | 0.0234 (8) | 0.0154 (7) | −0.0062 (6) | −0.0011 (6) | −0.0020 (6) |
| C22 | 0.0176 (8) | 0.0331 (11) | 0.0207 (9) | −0.0101 (7) | 0.0022 (7) | −0.0033 (7) |
| C23 | 0.0237 (9) | 0.0358 (11) | 0.0184 (9) | −0.0164 (8) | 0.0025 (7) | −0.0012 (8) |
| C24 | 0.0270 (9) | 0.0255 (9) | 0.0159 (8) | −0.0134 (8) | −0.0013 (7) | 0.0018 (7) |
| C25 | 0.0214 (8) | 0.0195 (8) | 0.0137 (7) | −0.0086 (6) | −0.0016 (6) | −0.0002 (6) |
| C26 | 0.0287 (10) | 0.0173 (8) | 0.0248 (10) | −0.0002 (7) | 0.0090 (8) | −0.0036 (7) |
| C27 | 0.0365 (11) | 0.0321 (11) | 0.0174 (8) | −0.0230 (9) | −0.0036 (8) | −0.0029 (7) |
| C28 | 0.0281 (9) | 0.0197 (8) | 0.0163 (8) | −0.0139 (7) | −0.0049 (7) | −0.0006 (6) |
| C29 | 0.0150 (8) | 0.0279 (10) | 0.0286 (10) | −0.0030 (7) | −0.0025 (7) | 0.0038 (8) |
| C30 | 0.0161 (7) | 0.0148 (7) | 0.0186 (8) | −0.0035 (6) | −0.0008 (6) | −0.0039 (6) |
| C31 | 0.0195 (8) | 0.0141 (7) | 0.0177 (8) | −0.0048 (6) | −0.0028 (6) | −0.0013 (6) |
| C32 | 0.0172 (7) | 0.0141 (7) | 0.0153 (7) | −0.0045 (6) | −0.0010 (6) | −0.0038 (6) |
| C33 | 0.0155 (7) | 0.0148 (7) | 0.0172 (7) | −0.0040 (6) | −0.0026 (6) | −0.0023 (6) |
| C34 | 0.0199 (8) | 0.0164 (7) | 0.0184 (8) | −0.0059 (6) | −0.0058 (6) | −0.0011 (6) |
| C35 | 0.0152 (7) | 0.0157 (7) | 0.0176 (8) | −0.0051 (6) | −0.0016 (6) | −0.0041 (6) |
| C36 | 0.0252 (9) | 0.0168 (8) | 0.0190 (8) | −0.0006 (7) | −0.0042 (7) | −0.0054 (6) |
| C37 | 0.0141 (7) | 0.0154 (7) | 0.0212 (8) | −0.0019 (6) | −0.0014 (6) | −0.0018 (6) |
| C38 | 0.0197 (8) | 0.0164 (8) | 0.0259 (9) | −0.0049 (6) | −0.0050 (7) | −0.0049 (7) |
| C39 | 0.0220 (8) | 0.0140 (7) | 0.0165 (7) | −0.0067 (6) | −0.0001 (6) | −0.0019 (6) |
| C40 | 0.0233 (9) | 0.0163 (8) | 0.0279 (10) | −0.0039 (7) | 0.0023 (7) | −0.0027 (7) |
| C41 | 0.0344 (12) | 0.0154 (8) | 0.0381 (12) | −0.0043 (8) | 0.0045 (10) | −0.0037 (8) |
| C42 | 0.0422 (14) | 0.0174 (9) | 0.0433 (14) | −0.0143 (9) | 0.0017 (11) | −0.0023 (9) |
| C43 | 0.0334 (11) | 0.0235 (10) | 0.0374 (12) | −0.0161 (9) | 0.0000 (9) | 0.0010 (9) |
| C44 | 0.0218 (9) | 0.0188 (8) | 0.0259 (9) | −0.0077 (7) | 0.0007 (7) | 0.0006 (7) |
| C45 | 0.0152 (7) | 0.0183 (8) | 0.0182 (8) | −0.0032 (6) | −0.0041 (6) | −0.0062 (6) |
| C46 | 0.0261 (9) | 0.0277 (10) | 0.0194 (9) | −0.0084 (8) | −0.0016 (7) | −0.0050 (7) |
| C47 | 0.0369 (12) | 0.0407 (13) | 0.0189 (9) | −0.0067 (10) | −0.0015 (9) | −0.0081 (9) |
| C48 | 0.0387 (13) | 0.0361 (12) | 0.0266 (11) | 0.0007 (10) | −0.0101 (9) | −0.0180 (9) |
| C49 | 0.0359 (12) | 0.0207 (9) | 0.0343 (12) | −0.0033 (8) | −0.0143 (9) | −0.0112 (8) |
| C50 | 0.0250 (9) | 0.0196 (8) | 0.0243 (9) | −0.0071 (7) | −0.0069 (7) | −0.0052 (7) |
| C51 | 0.0135 (7) | 0.0113 (6) | 0.0182 (7) | −0.0021 (5) | −0.0017 (6) | −0.0032 (5) |
| C52 | 0.0186 (8) | 0.0175 (8) | 0.0178 (8) | −0.0032 (6) | −0.0033 (6) | −0.0019 (6) |
| C53 | 0.0223 (9) | 0.0195 (8) | 0.0256 (9) | −0.0030 (7) | −0.0109 (7) | −0.0022 (7) |
| C54 | 0.0168 (8) | 0.0175 (8) | 0.0374 (11) | −0.0046 (6) | −0.0095 (8) | 0.0004 (7) |
| C55 | 0.0150 (8) | 0.0167 (8) | 0.0326 (10) | −0.0047 (6) | −0.0008 (7) | 0.0007 (7) |
| C56 | 0.0171 (7) | 0.0142 (7) | 0.0201 (8) | −0.0035 (6) | −0.0002 (6) | −0.0011 (6) |
| C57 | 0.0203 (9) | 0.0189 (8) | 0.0315 (10) | −0.0034 (7) | −0.0034 (7) | −0.0066 (7) |
| C58 | 0.058 (2) | 0.106 (4) | 0.0365 (18) | −0.009 (2) | −0.0053 (16) | 0.014 (2) |
| Ru1—C30 | 1.8837 (19) | C15—C16 | 1.399 (2) |
| Ru1—C32 | 1.9306 (18) | C15—C28 | 1.504 (3) |
| Ru1—C31 | 1.9359 (19) | C16—C17 | 1.389 (3) |
| Ru1—P1 | 2.3476 (5) | C16—H16A | 0.9500 |
| Ru1—Ru3 | 2.8473 (2) | C17—C18 | 1.390 (3) |
| Ru1—Ru2 | 2.8557 (2) | C17—H17A | 0.9500 |
| Ru2—C33 | 1.8867 (18) | C18—C19 | 1.383 (3) |
| Ru2—C34 | 1.9328 (19) | C18—H18A | 0.9500 |
| Ru2—C35 | 1.9363 (19) | C19—H19A | 0.9500 |
| Ru2—P2 | 2.3538 (5) | C20—C25 | 1.399 (3) |
| Ru2—Ru3 | 2.8510 (2) | C20—C21 | 1.410 (3) |
| Ru3—C38 | 1.909 (2) | C21—C22 | 1.400 (3) |
| Ru3—C37 | 1.933 (2) | C21—C29 | 1.508 (3) |
| Ru3—C36 | 1.944 (2) | C22—C23 | 1.392 (3) |
| Ru3—P3 | 2.2488 (5) | C22—H22A | 0.9500 |
| Cl1—C57 | 1.762 (2) | C23—C24 | 1.382 (3) |
| Cl2—C57 | 1.755 (2) | C23—H23A | 0.9500 |
| Cl3—C57 | 1.746 (2) | C24—C25 | 1.395 (3) |
| Cl4—C58 | 1.765 (6) | C24—H24A | 0.9500 |
| Cl5—C58 | 1.734 (4) | C25—H25A | 0.9500 |
| Cl6—C58 | 1.774 (5) | C26—H26A | 0.9800 |
| P1—C7 | 1.8365 (17) | C26—H26B | 0.9800 |
| P1—C1 | 1.8452 (18) | C26—H26C | 0.9800 |
| P1—C13 | 1.8519 (18) | C27—H27A | 0.9800 |
| P2—C14 | 1.8379 (17) | C27—H27B | 0.9800 |
| P2—C20 | 1.8412 (18) | C27—H27C | 0.9800 |
| P2—C13 | 1.8560 (17) | C28—H28A | 0.9800 |
| P3—O11 | 1.5972 (14) | C28—H28B | 0.9800 |
| P3—O10 | 1.6153 (15) | C28—H28C | 0.9800 |
| P3—O12 | 1.6196 (14) | C29—H29A | 0.9800 |
| O1—C30 | 1.151 (2) | C29—H29B | 0.9800 |
| O2—C31 | 1.147 (2) | C29—H29C | 0.9800 |
| O3—C32 | 1.149 (2) | C39—C40 | 1.382 (3) |
| O4—C33 | 1.149 (2) | C39—C44 | 1.390 (3) |
| O5—C34 | 1.147 (2) | C40—C41 | 1.397 (3) |
| O6—C35 | 1.143 (2) | C40—H40A | 0.9500 |
| O7—C36 | 1.140 (3) | C41—C42 | 1.393 (4) |
| O8—C37 | 1.139 (3) | C41—H41A | 0.9500 |
| O9—C38 | 1.138 (3) | C42—C43 | 1.381 (4) |
| O10—C39 | 1.398 (2) | C42—H42A | 0.9500 |
| O11—C45 | 1.405 (2) | C43—C44 | 1.389 (3) |
| O12—C51 | 1.393 (2) | C43—H43A | 0.9500 |
| C1—C6 | 1.403 (3) | C44—H44A | 0.9500 |
| C1—C2 | 1.415 (3) | C45—C50 | 1.384 (3) |
| C2—C3 | 1.401 (3) | C45—C46 | 1.385 (3) |
| C2—C26 | 1.511 (3) | C46—C47 | 1.389 (3) |
| C3—C4 | 1.387 (3) | C46—H46A | 0.9500 |
| C3—H3A | 0.9500 | C47—C48 | 1.391 (4) |
| C4—C5 | 1.388 (3) | C47—H47A | 0.9500 |
| C4—H4A | 0.9500 | C48—C49 | 1.379 (4) |
| C5—C6 | 1.393 (3) | C48—H48A | 0.9500 |
| C5—H5A | 0.9500 | C49—C50 | 1.400 (3) |
| C6—H6A | 0.9500 | C49—H49A | 0.9500 |
| C7—C12 | 1.400 (2) | C50—H50A | 0.9500 |
| C7—C8 | 1.410 (2) | C51—C52 | 1.389 (3) |
| C8—C9 | 1.401 (3) | C51—C56 | 1.390 (3) |
| C8—C27 | 1.505 (3) | C52—C53 | 1.398 (3) |
| C9—C10 | 1.385 (3) | C52—H52A | 0.9500 |
| C9—H9A | 0.9500 | C53—C54 | 1.382 (3) |
| C10—C11 | 1.389 (3) | C53—H53A | 0.9500 |
| C10—H10A | 0.9500 | C54—C55 | 1.397 (3) |
| C11—C12 | 1.390 (3) | C54—H54A | 0.9500 |
| C11—H11A | 0.9500 | C55—C56 | 1.394 (3) |
| C12—H12A | 0.9500 | C55—H55A | 0.9500 |
| C13—H13A | 0.9900 | C56—H56A | 0.9500 |
| C13—H13B | 0.9900 | C57—H57A | 1.0000 |
| C14—C19 | 1.404 (2) | C58—H58A | 1.0000 |
| C14—C15 | 1.410 (2) | ||
| C30—Ru1—C32 | 91.68 (8) | C17—C18—H18A | 120.1 |
| C30—Ru1—C31 | 87.98 (8) | C18—C19—C14 | 121.66 (17) |
| C32—Ru1—C31 | 174.89 (8) | C18—C19—H19A | 119.2 |
| C30—Ru1—P1 | 106.24 (6) | C14—C19—H19A | 119.2 |
| C32—Ru1—P1 | 95.01 (6) | C25—C20—C21 | 119.08 (17) |
| C31—Ru1—P1 | 89.99 (6) | C25—C20—P2 | 116.96 (14) |
| C30—Ru1—Ru3 | 102.18 (6) | C21—C20—P2 | 123.94 (14) |
| C32—Ru1—Ru3 | 89.88 (5) | C22—C21—C20 | 118.31 (19) |
| C31—Ru1—Ru3 | 85.21 (6) | C22—C21—C29 | 117.39 (18) |
| P1—Ru1—Ru3 | 150.984 (12) | C20—C21—C29 | 124.29 (17) |
| C30—Ru1—Ru2 | 160.93 (6) | C23—C22—C21 | 121.9 (2) |
| C32—Ru1—Ru2 | 82.18 (5) | C23—C22—H22A | 119.0 |
| C31—Ru1—Ru2 | 96.54 (6) | C21—C22—H22A | 119.0 |
| P1—Ru1—Ru2 | 92.322 (12) | C24—C23—C22 | 119.74 (19) |
| Ru3—Ru1—Ru2 | 59.989 (5) | C24—C23—H23A | 120.1 |
| C33—Ru2—C34 | 91.82 (8) | C22—C23—H23A | 120.1 |
| C33—Ru2—C35 | 88.96 (8) | C23—C24—C25 | 119.24 (19) |
| C34—Ru2—C35 | 173.59 (8) | C23—C24—H24A | 120.4 |
| C33—Ru2—P2 | 101.70 (6) | C25—C24—H24A | 120.4 |
| C34—Ru2—P2 | 96.36 (6) | C24—C25—C20 | 121.71 (19) |
| C35—Ru2—P2 | 89.70 (6) | C24—C25—H25A | 119.1 |
| C33—Ru2—Ru3 | 106.16 (6) | C20—C25—H25A | 119.1 |
| C34—Ru2—Ru3 | 89.61 (6) | C2—C26—H26A | 109.5 |
| C35—Ru2—Ru3 | 84.07 (5) | C2—C26—H26B | 109.5 |
| P2—Ru2—Ru3 | 151.297 (12) | H26A—C26—H26B | 109.5 |
| C33—Ru2—Ru1 | 164.78 (6) | C2—C26—H26C | 109.5 |
| C34—Ru2—Ru1 | 82.59 (6) | H26A—C26—H26C | 109.5 |
| C35—Ru2—Ru1 | 95.06 (5) | H26B—C26—H26C | 109.5 |
| P2—Ru2—Ru1 | 93.013 (12) | C8—C27—H27A | 109.5 |
| Ru3—Ru2—Ru1 | 59.860 (5) | C8—C27—H27B | 109.5 |
| C38—Ru3—C37 | 86.27 (9) | H27A—C27—H27B | 109.5 |
| C38—Ru3—C36 | 91.88 (9) | C8—C27—H27C | 109.5 |
| C37—Ru3—C36 | 178.14 (9) | H27A—C27—H27C | 109.5 |
| C38—Ru3—P3 | 104.36 (6) | H27B—C27—H27C | 109.5 |
| C37—Ru3—P3 | 91.72 (6) | C15—C28—H28A | 109.5 |
| C36—Ru3—P3 | 88.63 (6) | C15—C28—H28B | 109.5 |
| C38—Ru3—Ru1 | 101.06 (6) | H28A—C28—H28B | 109.5 |
| C37—Ru3—Ru1 | 89.13 (5) | C15—C28—H28C | 109.5 |
| C36—Ru3—Ru1 | 91.34 (6) | H28A—C28—H28C | 109.5 |
| P3—Ru3—Ru1 | 154.566 (13) | H28B—C28—H28C | 109.5 |
| C38—Ru3—Ru2 | 161.16 (6) | C21—C29—H29A | 109.5 |
| C37—Ru3—Ru2 | 91.74 (6) | C21—C29—H29B | 109.5 |
| C36—Ru3—Ru2 | 90.06 (6) | H29A—C29—H29B | 109.5 |
| P3—Ru3—Ru2 | 94.414 (13) | C21—C29—H29C | 109.5 |
| Ru1—Ru3—Ru2 | 60.152 (5) | H29A—C29—H29C | 109.5 |
| C7—P1—C1 | 106.45 (8) | H29B—C29—H29C | 109.5 |
| C7—P1—C13 | 102.54 (8) | O1—C30—Ru1 | 178.93 (18) |
| C1—P1—C13 | 99.39 (8) | O2—C31—Ru1 | 171.92 (17) |
| C7—P1—Ru1 | 111.41 (6) | O3—C32—Ru1 | 173.12 (16) |
| C1—P1—Ru1 | 119.03 (6) | O4—C33—Ru2 | 178.39 (17) |
| C13—P1—Ru1 | 116.12 (6) | O5—C34—Ru2 | 172.95 (17) |
| C14—P2—C20 | 107.18 (8) | O6—C35—Ru2 | 173.54 (16) |
| C14—P2—C13 | 103.10 (8) | O7—C36—Ru3 | 172.26 (19) |
| C20—P2—C13 | 100.03 (8) | O8—C37—Ru3 | 171.62 (17) |
| C14—P2—Ru2 | 110.49 (6) | O9—C38—Ru3 | 176.2 (2) |
| C20—P2—Ru2 | 118.78 (6) | C40—C39—C44 | 121.77 (18) |
| C13—P2—Ru2 | 115.67 (6) | C40—C39—O10 | 121.64 (18) |
| O11—P3—O10 | 104.17 (8) | C44—C39—O10 | 116.58 (17) |
| O11—P3—O12 | 97.81 (7) | C39—C40—C41 | 118.3 (2) |
| O10—P3—O12 | 103.38 (8) | C39—C40—H40A | 120.9 |
| O11—P3—Ru3 | 117.80 (6) | C41—C40—H40A | 120.9 |
| O10—P3—Ru3 | 111.92 (5) | C42—C41—C40 | 120.8 (2) |
| O12—P3—Ru3 | 119.50 (5) | C42—C41—H41A | 119.6 |
| C39—O10—P3 | 124.36 (12) | C40—C41—H41A | 119.6 |
| C45—O11—P3 | 128.76 (12) | C43—C42—C41 | 119.7 (2) |
| C51—O12—P3 | 122.70 (11) | C43—C42—H42A | 120.2 |
| C6—C1—C2 | 119.10 (16) | C41—C42—H42A | 120.2 |
| C6—C1—P1 | 116.59 (13) | C42—C43—C44 | 120.5 (2) |
| C2—C1—P1 | 124.23 (14) | C42—C43—H43A | 119.7 |
| C3—C2—C1 | 117.98 (18) | C44—C43—H43A | 119.7 |
| C3—C2—C26 | 117.62 (17) | C43—C44—C39 | 119.0 (2) |
| C1—C2—C26 | 124.40 (17) | C43—C44—H44A | 120.5 |
| C4—C3—C2 | 122.33 (18) | C39—C44—H44A | 120.5 |
| C4—C3—H3A | 118.8 | C50—C45—C46 | 122.09 (19) |
| C2—C3—H3A | 118.8 | C50—C45—O11 | 119.24 (18) |
| C3—C4—C5 | 119.68 (18) | C46—C45—O11 | 118.45 (18) |
| C3—C4—H4A | 120.2 | C45—C46—C47 | 118.8 (2) |
| C5—C4—H4A | 120.2 | C45—C46—H46A | 120.6 |
| C4—C5—C6 | 119.17 (18) | C47—C46—H46A | 120.6 |
| C4—C5—H5A | 120.4 | C46—C47—C48 | 120.3 (2) |
| C6—C5—H5A | 120.4 | C46—C47—H47A | 119.8 |
| C5—C6—C1 | 121.74 (18) | C48—C47—H47A | 119.8 |
| C5—C6—H6A | 119.1 | C49—C48—C47 | 119.9 (2) |
| C1—C6—H6A | 119.1 | C49—C48—H48A | 120.1 |
| C12—C7—C8 | 119.03 (16) | C47—C48—H48A | 120.1 |
| C12—C7—P1 | 118.72 (13) | C48—C49—C50 | 120.8 (2) |
| C8—C7—P1 | 121.94 (14) | C48—C49—H49A | 119.6 |
| C9—C8—C7 | 118.19 (17) | C50—C49—H49A | 119.6 |
| C9—C8—C27 | 118.36 (17) | C45—C50—C49 | 118.1 (2) |
| C7—C8—C27 | 123.44 (17) | C45—C50—H50A | 121.0 |
| C10—C9—C8 | 122.32 (19) | C49—C50—H50A | 121.0 |
| C10—C9—H9A | 118.8 | C52—C51—C56 | 121.87 (17) |
| C8—C9—H9A | 118.8 | C52—C51—O12 | 122.02 (17) |
| C9—C10—C11 | 119.15 (18) | C56—C51—O12 | 116.11 (16) |
| C9—C10—H10A | 120.4 | C51—C52—C53 | 118.50 (19) |
| C11—C10—H10A | 120.4 | C51—C52—H52A | 120.8 |
| C10—C11—C12 | 119.71 (19) | C53—C52—H52A | 120.8 |
| C10—C11—H11A | 120.1 | C54—C53—C52 | 120.7 (2) |
| C12—C11—H11A | 120.1 | C54—C53—H53A | 119.7 |
| C11—C12—C7 | 121.50 (17) | C52—C53—H53A | 119.7 |
| C11—C12—H12A | 119.2 | C53—C54—C55 | 119.96 (18) |
| C7—C12—H12A | 119.2 | C53—C54—H54A | 120.0 |
| P1—C13—P2 | 117.58 (9) | C55—C54—H54A | 120.0 |
| P1—C13—H13A | 107.9 | C56—C55—C54 | 120.26 (19) |
| P2—C13—H13A | 107.9 | C56—C55—H55A | 119.9 |
| P1—C13—H13B | 107.9 | C54—C55—H55A | 119.9 |
| P2—C13—H13B | 107.9 | C51—C56—C55 | 118.70 (19) |
| H13A—C13—H13B | 107.2 | C51—C56—H56A | 120.6 |
| C19—C14—C15 | 118.84 (16) | C55—C56—H56A | 120.6 |
| C19—C14—P2 | 119.06 (13) | Cl3—C57—Cl2 | 110.86 (13) |
| C15—C14—P2 | 121.65 (13) | Cl3—C57—Cl1 | 110.23 (12) |
| C16—C15—C14 | 118.45 (16) | Cl2—C57—Cl1 | 110.37 (12) |
| C16—C15—C28 | 117.97 (16) | Cl3—C57—H57A | 108.4 |
| C14—C15—C28 | 123.58 (16) | Cl2—C57—H57A | 108.4 |
| C17—C16—C15 | 122.06 (17) | Cl1—C57—H57A | 108.4 |
| C17—C16—H16A | 119.0 | Cl5—C58—Cl4 | 110.6 (3) |
| C15—C16—H16A | 119.0 | Cl5—C58—Cl6 | 109.4 (2) |
| C16—C17—C18 | 119.28 (17) | Cl4—C58—Cl6 | 108.3 (3) |
| C16—C17—H17A | 120.4 | Cl5—C58—H58A | 109.5 |
| C18—C17—H17A | 120.4 | Cl4—C58—H58A | 109.5 |
| C19—C18—C17 | 119.70 (17) | Cl6—C58—H58A | 109.5 |
| C19—C18—H18A | 120.1 | ||
| C30—Ru1—Ru2—C33 | 47.0 (3) | C2—C3—C4—C5 | 0.6 (3) |
| C32—Ru1—Ru2—C33 | 119.1 (2) | C3—C4—C5—C6 | 0.0 (3) |
| C31—Ru1—Ru2—C33 | −55.9 (2) | C4—C5—C6—C1 | −0.3 (3) |
| P1—Ru1—Ru2—C33 | −146.1 (2) | C2—C1—C6—C5 | 0.0 (3) |
| Ru3—Ru1—Ru2—C33 | 24.7 (2) | P1—C1—C6—C5 | 176.86 (15) |
| C30—Ru1—Ru2—C34 | 116.15 (19) | C1—P1—C7—C12 | 136.24 (15) |
| C32—Ru1—Ru2—C34 | −171.72 (8) | C13—P1—C7—C12 | 32.35 (16) |
| C31—Ru1—Ru2—C34 | 13.27 (8) | Ru1—P1—C7—C12 | −92.52 (15) |
| P1—Ru1—Ru2—C34 | −76.98 (6) | C1—P1—C7—C8 | −50.30 (17) |
| Ru3—Ru1—Ru2—C34 | 93.87 (6) | C13—P1—C7—C8 | −154.19 (16) |
| C30—Ru1—Ru2—C35 | −57.86 (19) | Ru1—P1—C7—C8 | 80.94 (16) |
| C32—Ru1—Ru2—C35 | 14.28 (8) | C12—C7—C8—C9 | −3.3 (3) |
| C31—Ru1—Ru2—C35 | −160.73 (8) | P1—C7—C8—C9 | −176.75 (15) |
| P1—Ru1—Ru2—C35 | 109.01 (6) | C12—C7—C8—C27 | 176.9 (2) |
| Ru3—Ru1—Ru2—C35 | −80.13 (6) | P1—C7—C8—C27 | 3.5 (3) |
| C30—Ru1—Ru2—P2 | −147.82 (18) | C7—C8—C9—C10 | 2.0 (3) |
| C32—Ru1—Ru2—P2 | −75.69 (6) | C27—C8—C9—C10 | −178.2 (2) |
| C31—Ru1—Ru2—P2 | 109.30 (6) | C8—C9—C10—C11 | 0.7 (3) |
| P1—Ru1—Ru2—P2 | 19.050 (16) | C9—C10—C11—C12 | −1.9 (3) |
| Ru3—Ru1—Ru2—P2 | −170.096 (12) | C10—C11—C12—C7 | 0.5 (3) |
| C30—Ru1—Ru2—Ru3 | 22.28 (18) | C8—C7—C12—C11 | 2.1 (3) |
| C32—Ru1—Ru2—Ru3 | 94.41 (6) | P1—C7—C12—C11 | 175.78 (16) |
| C31—Ru1—Ru2—Ru3 | −80.60 (6) | C7—P1—C13—P2 | −109.17 (11) |
| P1—Ru1—Ru2—Ru3 | −170.855 (12) | C1—P1—C13—P2 | 141.51 (10) |
| C30—Ru1—Ru3—C38 | 5.81 (9) | Ru1—P1—C13—P2 | 12.54 (12) |
| C32—Ru1—Ru3—C38 | 97.50 (9) | C14—P2—C13—P1 | −114.17 (11) |
| C31—Ru1—Ru3—C38 | −81.08 (9) | C20—P2—C13—P1 | 135.39 (11) |
| P1—Ru1—Ru3—C38 | −162.36 (7) | Ru2—P2—C13—P1 | 6.53 (12) |
| Ru2—Ru1—Ru3—C38 | 178.53 (7) | C20—P2—C14—C19 | 136.37 (14) |
| C30—Ru1—Ru3—C37 | −80.22 (8) | C13—P2—C14—C19 | 31.34 (16) |
| C32—Ru1—Ru3—C37 | 11.47 (8) | Ru2—P2—C14—C19 | −92.83 (14) |
| C31—Ru1—Ru3—C37 | −167.10 (8) | C20—P2—C14—C15 | −51.51 (16) |
| P1—Ru1—Ru3—C37 | 111.61 (6) | C13—P2—C14—C15 | −156.53 (14) |
| Ru2—Ru1—Ru3—C37 | 92.50 (6) | Ru2—P2—C14—C15 | 79.29 (15) |
| C30—Ru1—Ru3—C36 | 97.98 (9) | C19—C14—C15—C16 | −1.6 (3) |
| C32—Ru1—Ru3—C36 | −170.32 (9) | P2—C14—C15—C16 | −173.70 (14) |
| C31—Ru1—Ru3—C36 | 11.10 (9) | C19—C14—C15—C28 | 177.78 (17) |
| P1—Ru1—Ru3—C36 | −70.18 (7) | P2—C14—C15—C28 | 5.6 (3) |
| Ru2—Ru1—Ru3—C36 | −89.29 (7) | C14—C15—C16—C17 | 1.0 (3) |
| C30—Ru1—Ru3—P3 | −172.38 (7) | C28—C15—C16—C17 | −178.40 (19) |
| C32—Ru1—Ru3—P3 | −80.69 (6) | C15—C16—C17—C18 | 0.0 (3) |
| C31—Ru1—Ru3—P3 | 100.73 (6) | C16—C17—C18—C19 | −0.3 (3) |
| P1—Ru1—Ru3—P3 | 19.45 (4) | C17—C18—C19—C14 | −0.3 (3) |
| Ru2—Ru1—Ru3—P3 | 0.34 (3) | C15—C14—C19—C18 | 1.2 (3) |
| C30—Ru1—Ru3—Ru2 | −172.72 (6) | P2—C14—C19—C18 | 173.59 (15) |
| C32—Ru1—Ru3—Ru2 | −81.03 (5) | C14—P2—C20—C25 | 131.38 (14) |
| C31—Ru1—Ru3—Ru2 | 100.39 (6) | C13—P2—C20—C25 | −121.42 (15) |
| P1—Ru1—Ru3—Ru2 | 19.11 (3) | Ru2—P2—C20—C25 | 5.38 (17) |
| C33—Ru2—Ru3—C38 | −177.9 (2) | C14—P2—C20—C21 | −50.36 (18) |
| C34—Ru2—Ru3—C38 | −86.1 (2) | C13—P2—C20—C21 | 56.84 (17) |
| C35—Ru2—Ru3—C38 | 94.9 (2) | Ru2—P2—C20—C21 | −176.36 (13) |
| P2—Ru2—Ru3—C38 | 16.5 (2) | C25—C20—C21—C22 | −0.6 (3) |
| Ru1—Ru2—Ru3—C38 | −4.5 (2) | P2—C20—C21—C22 | −178.81 (15) |
| C33—Ru2—Ru3—C37 | 98.57 (8) | C25—C20—C21—C29 | 178.70 (19) |
| C34—Ru2—Ru3—C37 | −169.65 (8) | P2—C20—C21—C29 | 0.5 (3) |
| C35—Ru2—Ru3—C37 | 11.38 (8) | C20—C21—C22—C23 | 0.5 (3) |
| P2—Ru2—Ru3—C37 | −67.04 (6) | C29—C21—C22—C23 | −178.9 (2) |
| Ru1—Ru2—Ru3—C37 | −88.00 (6) | C21—C22—C23—C24 | 0.0 (3) |
| C33—Ru2—Ru3—C36 | −81.92 (8) | C22—C23—C24—C25 | −0.4 (3) |
| C34—Ru2—Ru3—C36 | 9.86 (8) | C23—C24—C25—C20 | 0.2 (3) |
| C35—Ru2—Ru3—C36 | −169.11 (8) | C21—C20—C25—C24 | 0.2 (3) |
| P2—Ru2—Ru3—C36 | 112.47 (6) | P2—C20—C25—C24 | 178.59 (15) |
| Ru1—Ru2—Ru3—C36 | 91.52 (6) | C32—Ru1—C30—O1 | −103 (9) |
| C33—Ru2—Ru3—P3 | 6.71 (6) | C31—Ru1—C30—O1 | 72 (9) |
| C34—Ru2—Ru3—P3 | 98.49 (6) | P1—Ru1—C30—O1 | 162 (9) |
| C35—Ru2—Ru3—P3 | −80.48 (6) | Ru3—Ru1—C30—O1 | −12 (9) |
| P2—Ru2—Ru3—P3 | −158.90 (3) | Ru2—Ru1—C30—O1 | −32 (10) |
| Ru1—Ru2—Ru3—P3 | −179.853 (13) | C30—Ru1—C31—O2 | 30.3 (13) |
| C33—Ru2—Ru3—Ru1 | −173.44 (6) | C32—Ru1—C31—O2 | 116.5 (13) |
| C34—Ru2—Ru3—Ru1 | −81.65 (6) | P1—Ru1—C31—O2 | −75.9 (13) |
| C35—Ru2—Ru3—Ru1 | 99.37 (5) | Ru3—Ru1—C31—O2 | 132.7 (13) |
| P2—Ru2—Ru3—Ru1 | 20.96 (3) | Ru2—Ru1—C31—O2 | −168.3 (13) |
| C30—Ru1—P1—C7 | −88.09 (9) | C30—Ru1—C32—O3 | −26.6 (14) |
| C32—Ru1—P1—C7 | 178.69 (8) | C31—Ru1—C32—O3 | −112.6 (15) |
| C31—Ru1—P1—C7 | −0.20 (8) | P1—Ru1—C32—O3 | 79.9 (14) |
| Ru3—Ru1—P1—C7 | 79.86 (7) | Ru3—Ru1—C32—O3 | −128.7 (14) |
| Ru2—Ru1—P1—C7 | 96.35 (6) | Ru2—Ru1—C32—O3 | 171.6 (14) |
| C30—Ru1—P1—C1 | 36.35 (9) | C34—Ru2—C33—O4 | 79 (6) |
| C32—Ru1—P1—C1 | −56.87 (8) | C35—Ru2—C33—O4 | −108 (6) |
| C31—Ru1—P1—C1 | 124.24 (9) | P2—Ru2—C33—O4 | −18 (6) |
| Ru3—Ru1—P1—C1 | −155.70 (6) | Ru3—Ru2—C33—O4 | 169 (100) |
| Ru2—Ru1—P1—C1 | −139.21 (7) | Ru1—Ru2—C33—O4 | 147 (6) |
| C30—Ru1—P1—C13 | 155.03 (9) | C33—Ru2—C34—O5 | −20.8 (15) |
| C32—Ru1—P1—C13 | 61.81 (8) | C35—Ru2—C34—O5 | −117.7 (15) |
| C31—Ru1—P1—C13 | −117.08 (9) | P2—Ru2—C34—O5 | 81.2 (15) |
| Ru3—Ru1—P1—C13 | −37.02 (7) | Ru3—Ru2—C34—O5 | −126.9 (15) |
| Ru2—Ru1—P1—C13 | −20.53 (7) | Ru1—Ru2—C34—O5 | 173.4 (15) |
| C33—Ru2—P2—C14 | −84.73 (8) | C33—Ru2—C35—O6 | 28.4 (15) |
| C34—Ru2—P2—C14 | −177.93 (8) | C34—Ru2—C35—O6 | 125.5 (15) |
| C35—Ru2—P2—C14 | 4.15 (8) | P2—Ru2—C35—O6 | −73.3 (15) |
| Ru3—Ru2—P2—C14 | 81.15 (6) | Ru3—Ru2—C35—O6 | 134.7 (15) |
| Ru1—Ru2—P2—C14 | 99.20 (6) | Ru1—Ru2—C35—O6 | −166.3 (15) |
| C33—Ru2—P2—C20 | 39.67 (9) | C38—Ru3—C36—O7 | −51.3 (15) |
| C34—Ru2—P2—C20 | −53.53 (9) | C37—Ru3—C36—O7 | −48 (3) |
| C35—Ru2—P2—C20 | 128.55 (8) | P3—Ru3—C36—O7 | 53.0 (15) |
| Ru3—Ru2—P2—C20 | −154.44 (6) | Ru1—Ru3—C36—O7 | −152.4 (15) |
| Ru1—Ru2—P2—C20 | −136.40 (7) | Ru2—Ru3—C36—O7 | 147.4 (15) |
| C33—Ru2—P2—C13 | 158.65 (9) | C38—Ru3—C37—O8 | 39.4 (12) |
| C34—Ru2—P2—C13 | 65.45 (9) | C36—Ru3—C37—O8 | 36 (3) |
| C35—Ru2—P2—C13 | −112.47 (8) | P3—Ru3—C37—O8 | −64.9 (12) |
| Ru3—Ru2—P2—C13 | −35.46 (7) | Ru1—Ru3—C37—O8 | 140.5 (12) |
| Ru1—Ru2—P2—C13 | −17.42 (7) | Ru2—Ru3—C37—O8 | −159.4 (12) |
| C38—Ru3—P3—O11 | −134.82 (9) | C37—Ru3—C38—O9 | 5 (3) |
| C37—Ru3—P3—O11 | −48.23 (8) | C36—Ru3—C38—O9 | −175 (3) |
| C36—Ru3—P3—O11 | 133.59 (9) | P3—Ru3—C38—O9 | 96 (3) |
| Ru1—Ru3—P3—O11 | 43.34 (8) | Ru1—Ru3—C38—O9 | −83 (3) |
| Ru2—Ru3—P3—O11 | 43.64 (6) | Ru2—Ru3—C38—O9 | −79 (3) |
| C38—Ru3—P3—O10 | 104.49 (9) | P3—O10—C39—C40 | 69.4 (2) |
| C37—Ru3—P3—O10 | −168.93 (8) | P3—O10—C39—C44 | −112.13 (19) |
| C36—Ru3—P3—O10 | 12.90 (9) | C44—C39—C40—C41 | 1.8 (3) |
| Ru1—Ru3—P3—O10 | −77.35 (7) | O10—C39—C40—C41 | −179.8 (2) |
| Ru2—Ru3—P3—O10 | −77.05 (6) | C39—C40—C41—C42 | −1.3 (4) |
| C38—Ru3—P3—O12 | −16.47 (9) | C40—C41—C42—C43 | −0.1 (4) |
| C37—Ru3—P3—O12 | 70.12 (8) | C41—C42—C43—C44 | 1.2 (4) |
| C36—Ru3—P3—O12 | −108.06 (9) | C42—C43—C44—C39 | −0.7 (4) |
| Ru1—Ru3—P3—O12 | 161.70 (6) | C40—C39—C44—C43 | −0.7 (3) |
| Ru2—Ru3—P3—O12 | 161.99 (6) | O10—C39—C44—C43 | −179.2 (2) |
| O11—P3—O10—C39 | 41.17 (17) | P3—O11—C45—C50 | 101.4 (2) |
| O12—P3—O10—C39 | −60.61 (16) | P3—O11—C45—C46 | −84.0 (2) |
| Ru3—P3—O10—C39 | 169.50 (13) | C50—C45—C46—C47 | −1.1 (3) |
| O10—P3—O11—C45 | −101.64 (17) | O11—C45—C46—C47 | −175.6 (2) |
| O12—P3—O11—C45 | 4.36 (18) | C45—C46—C47—C48 | 0.2 (4) |
| Ru3—P3—O11—C45 | 133.72 (15) | C46—C47—C48—C49 | 0.7 (4) |
| O11—P3—O12—C51 | 171.31 (14) | C47—C48—C49—C50 | −0.6 (4) |
| O10—P3—O12—C51 | −82.04 (15) | C46—C45—C50—C49 | 1.1 (3) |
| Ru3—P3—O12—C51 | 43.10 (16) | O11—C45—C50—C49 | 175.58 (19) |
| C7—P1—C1—C6 | 134.78 (14) | C48—C49—C50—C45 | −0.3 (3) |
| C13—P1—C1—C6 | −119.06 (15) | P3—O12—C51—C52 | 44.4 (2) |
| Ru1—P1—C1—C6 | 7.96 (16) | P3—O12—C51—C56 | −136.63 (14) |
| C7—P1—C1—C2 | −48.53 (18) | C56—C51—C52—C53 | 2.5 (3) |
| C13—P1—C1—C2 | 57.63 (17) | O12—C51—C52—C53 | −178.57 (17) |
| Ru1—P1—C1—C2 | −175.35 (13) | C51—C52—C53—C54 | −1.4 (3) |
| C6—C1—C2—C3 | 0.6 (3) | C52—C53—C54—C55 | −0.8 (3) |
| P1—C1—C2—C3 | −176.01 (15) | C53—C54—C55—C56 | 2.0 (3) |
| C6—C1—C2—C26 | −179.09 (19) | C52—C51—C56—C55 | −1.3 (3) |
| P1—C1—C2—C26 | 4.3 (3) | O12—C51—C56—C55 | 179.73 (16) |
| C1—C2—C3—C4 | −0.9 (3) | C54—C55—C56—C51 | −1.0 (3) |
| C26—C2—C3—C4 | 178.8 (2) |
| H··· | ||||
| C42—H42 | 0.95 | 2.52 | 3.384 (3) | 151 |
| C56—H56 | 0.95 | 2.59 | 3.343 (3) | 136 |
Selected bond lengths (Å)
| Ru1—P1 | 2.3476 (5) |
| Ru2—P2 | 2.3538 (5) |
| Ru3—P3 | 2.2488 (5) |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| C42—H42 | 0.95 | 2.52 | 3.384 (3) | 151 |
| C56—H56 | 0.95 | 2.59 | 3.343 (3) | 136 |
Symmetry codes: (i) ; (ii) .