| Literature DB >> 23634018 |
João Figueira1, João Rodrigues, Arto Valkonen.
Abstract
In the title Ru(II) carboxyl-ate compound, [Ru(C2H3O2)(C26H24P2)2](CF3O3S)0.75Cl0.25, the distorted tris-bidentate octa-hedral stereochemistry about the Ru(II) atom in the complex cation comprises four P-atom donors from two 1,2-bis-(diphenyl-phosphan-yl)ethane ligands [Ru-P = 2.2881 (13)-2.3791 (13) Å] and two O-atom donors from the acetate ligand [Ru-O = 2.191 (3) and 2.202 (3) Å]. The disordered counter-anions are located on the same site in the structure in a 3:1 ratio, the expanded formula comprising four complex cations, three trifluoro-methane-sulfonate anions and one chloride anion, with two such formula units in the unit cell.Entities:
Year: 2013 PMID: 23634018 PMCID: PMC3629500 DOI: 10.1107/S160053681300737X
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Ru(C2H3O2)(C26H24P2)2](CF3O3S)0.75Cl0.25 | |
| Orthorhombic, | Mo |
| Hall symbol: -P 2ac 2ab | Cell parameters from 137403 reflections |
| θ = 2.9–28.3° | |
| µ = 0.55 mm−1 | |
| Prism, green-yellow | |
| 0.25 × 0.20 × 0.15 mm |
| Bruker–Nonius KappaCCD diffractometer with APEXII detector | 8662 independent reflections |
| Radiation source: fine-focus sealed tube | 7095 reflections with |
| Graphite monochromator | |
| Detector resolution: 9 pixels mm-1 | θmax = 25.0°, θmin = 3.0° |
| CCD rotation images, thick slices scans | |
| Absorption correction: multi-scan ( | |
| 16563 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 | |
| 8662 reflections | (Δ/σ)max = 0.001 |
| 626 parameters | Δρmax = 0.90 e Å−3 |
| 7 restraints | Δρmin = −1.04 e Å−3 |
| Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes. |
| Refinement. Refinement of |
| Occ. (<1) | |||||
| Ru1 | 0.24211 (2) | 0.986017 (17) | 0.615267 (13) | 0.02161 (12) | |
| P1 | 0.21047 (8) | 1.02120 (6) | 0.68978 (4) | 0.0250 (3) | |
| P2 | 0.38185 (8) | 0.98385 (6) | 0.64581 (4) | 0.0256 (3) | |
| P3 | 0.23401 (8) | 1.08350 (6) | 0.58676 (4) | 0.0234 (3) | |
| P4 | 0.10573 (8) | 0.97601 (6) | 0.58030 (5) | 0.0268 (3) | |
| O1 | 0.2933 (2) | 0.93092 (15) | 0.55788 (12) | 0.0289 (8) | |
| O2 | 0.2383 (2) | 0.88552 (15) | 0.61809 (11) | 0.0268 (8) | |
| C1 | 0.1295 (3) | 1.0776 (2) | 0.70689 (18) | 0.0318 (12) | |
| C2 | 0.0460 (4) | 1.0689 (3) | 0.6930 (2) | 0.0388 (13) | |
| H2 | 0.0323 | 1.0349 | 0.6738 | 0.047* | |
| C3 | −0.0182 (4) | 1.1088 (3) | 0.7068 (2) | 0.0468 (16) | |
| H3 | −0.0747 | 1.1028 | 0.6962 | 0.056* | |
| C4 | 0.0006 (5) | 1.1572 (3) | 0.7358 (2) | 0.0533 (18) | |
| H4 | −0.0429 | 1.1842 | 0.7458 | 0.064* | |
| C5 | 0.0833 (5) | 1.1659 (3) | 0.7503 (2) | 0.0517 (17) | |
| H5 | 0.0963 | 1.1989 | 0.7706 | 0.062* | |
| C6 | 0.1477 (4) | 1.1270 (2) | 0.73574 (19) | 0.0400 (14) | |
| H6 | 0.2045 | 1.1342 | 0.7455 | 0.048* | |
| C7 | 0.1886 (3) | 0.9611 (2) | 0.73337 (16) | 0.0255 (11) | |
| C8 | 0.1589 (3) | 0.9772 (2) | 0.77776 (17) | 0.0314 (12) | |
| H8 | 0.1493 | 1.0189 | 0.7850 | 0.038* | |
| C9 | 0.1434 (3) | 0.9330 (3) | 0.81120 (18) | 0.0339 (12) | |
| H9 | 0.1229 | 0.9445 | 0.8411 | 0.041* | |
| C10 | 0.1576 (3) | 0.8718 (3) | 0.80126 (18) | 0.0351 (13) | |
| H10 | 0.1457 | 0.8412 | 0.8239 | 0.042* | |
| C11 | 0.1893 (4) | 0.8560 (2) | 0.75789 (18) | 0.0346 (13) | |
| H11 | 0.2015 | 0.8144 | 0.7512 | 0.042* | |
| C12 | 0.2035 (3) | 0.8997 (2) | 0.72447 (17) | 0.0295 (11) | |
| H12 | 0.2240 | 0.8877 | 0.6946 | 0.035* | |
| C13 | 0.3081 (3) | 1.0540 (2) | 0.71472 (17) | 0.0297 (12) | |
| H13A | 0.3216 | 1.0932 | 0.6992 | 0.036* | |
| H13B | 0.3004 | 1.0618 | 0.7485 | 0.036* | |
| C14 | 0.3806 (3) | 1.0085 (3) | 0.70718 (17) | 0.0329 (12) | |
| H14A | 0.3727 | 0.9726 | 0.7278 | 0.039* | |
| H14B | 0.4355 | 1.0279 | 0.7152 | 0.039* | |
| C15 | 0.4262 (3) | 0.9063 (2) | 0.64697 (19) | 0.0315 (12) | |
| C16 | 0.4122 (4) | 0.8679 (3) | 0.6845 (2) | 0.0433 (14) | |
| H16 | 0.3824 | 0.8826 | 0.7111 | 0.052* | |
| C17 | 0.4413 (4) | 0.8082 (3) | 0.6836 (3) | 0.0560 (18) | |
| H17 | 0.4316 | 0.7825 | 0.7098 | 0.067* | |
| C18 | 0.4840 (4) | 0.7855 (3) | 0.6453 (3) | 0.0528 (18) | |
| H18 | 0.5028 | 0.7442 | 0.6448 | 0.063* | |
| C19 | 0.4992 (4) | 0.8237 (3) | 0.6078 (3) | 0.0502 (16) | |
| H19 | 0.5291 | 0.8087 | 0.5813 | 0.060* | |
| C20 | 0.4711 (4) | 0.8837 (2) | 0.6086 (2) | 0.0375 (13) | |
| H20 | 0.4825 | 0.9097 | 0.5827 | 0.045* | |
| C21 | 0.4649 (3) | 1.0279 (2) | 0.61657 (17) | 0.0265 (11) | |
| C22 | 0.5263 (4) | 1.0605 (3) | 0.6399 (2) | 0.0424 (14) | |
| H22 | 0.5266 | 1.0610 | 0.6731 | 0.051* | |
| C23 | 0.5880 (4) | 1.0928 (3) | 0.6155 (3) | 0.0597 (19) | |
| H23 | 0.6311 | 1.1142 | 0.6321 | 0.072* | |
| C24 | 0.5868 (4) | 1.0939 (3) | 0.5674 (3) | 0.0537 (17) | |
| H24 | 0.6285 | 1.1165 | 0.5507 | 0.064* | |
| C25 | 0.5254 (4) | 1.0622 (3) | 0.5436 (2) | 0.0428 (15) | |
| H25 | 0.5245 | 1.0630 | 0.5104 | 0.051* | |
| C26 | 0.4646 (3) | 1.0292 (2) | 0.56764 (18) | 0.0316 (12) | |
| H26 | 0.4224 | 1.0072 | 0.5509 | 0.038* | |
| C27 | 0.2689 (3) | 1.0974 (2) | 0.52628 (17) | 0.0283 (11) | |
| C28 | 0.2936 (3) | 1.0509 (2) | 0.49636 (17) | 0.0287 (11) | |
| H28 | 0.2979 | 1.0102 | 0.5077 | 0.034* | |
| C29 | 0.3120 (4) | 1.0635 (3) | 0.44953 (19) | 0.0384 (13) | |
| H29 | 0.3296 | 1.0315 | 0.4293 | 0.046* | |
| C30 | 0.3045 (5) | 1.1219 (3) | 0.4330 (2) | 0.0507 (17) | |
| H30 | 0.3157 | 1.1301 | 0.4010 | 0.061* | |
| C31 | 0.2809 (5) | 1.1685 (3) | 0.4622 (2) | 0.0565 (19) | |
| H31 | 0.2770 | 1.2091 | 0.4505 | 0.068* | |
| C32 | 0.2627 (4) | 1.1568 (3) | 0.5087 (2) | 0.0448 (15) | |
| H32 | 0.2460 | 1.1892 | 0.5288 | 0.054* | |
| C33 | 0.2783 (3) | 1.1506 (2) | 0.61595 (16) | 0.0230 (10) | |
| C34 | 0.3646 (3) | 1.1632 (2) | 0.6107 (2) | 0.0330 (12) | |
| H34 | 0.3982 | 1.1381 | 0.5910 | 0.040* | |
| C35 | 0.4020 (4) | 1.2121 (2) | 0.6338 (2) | 0.0385 (13) | |
| H35 | 0.4610 | 1.2199 | 0.6304 | 0.046* | |
| C36 | 0.3526 (4) | 1.2493 (2) | 0.6619 (2) | 0.0382 (13) | |
| H36 | 0.3776 | 1.2828 | 0.6779 | 0.046* | |
| C37 | 0.2670 (4) | 1.2376 (2) | 0.6667 (2) | 0.0376 (13) | |
| H37 | 0.2333 | 1.2634 | 0.6860 | 0.045* | |
| C38 | 0.2296 (3) | 1.1890 (2) | 0.64379 (17) | 0.0313 (12) | |
| H38 | 0.1704 | 1.1818 | 0.6471 | 0.038* | |
| C39 | 0.1203 (3) | 1.1014 (2) | 0.57906 (18) | 0.0296 (11) | |
| H39A | 0.0926 | 1.1061 | 0.6099 | 0.036* | |
| H39B | 0.1138 | 1.1401 | 0.5616 | 0.036* | |
| C40 | 0.0794 (3) | 1.0492 (2) | 0.55215 (18) | 0.0316 (12) | |
| H40A | 0.1003 | 1.0492 | 0.5195 | 0.038* | |
| H40B | 0.0170 | 1.0547 | 0.5515 | 0.038* | |
| C41 | 0.0981 (3) | 0.9187 (2) | 0.53316 (18) | 0.0321 (12) | |
| C42 | 0.1437 (3) | 0.9273 (3) | 0.49147 (19) | 0.0354 (13) | |
| H42 | 0.1761 | 0.9635 | 0.4871 | 0.042* | |
| C43 | 0.1415 (4) | 0.8832 (3) | 0.4565 (2) | 0.0426 (15) | |
| H43 | 0.1719 | 0.8896 | 0.4282 | 0.051* | |
| C44 | 0.0952 (4) | 0.8303 (3) | 0.4626 (2) | 0.0533 (18) | |
| H44 | 0.0940 | 0.8001 | 0.4387 | 0.064* | |
| C45 | 0.0508 (5) | 0.8214 (3) | 0.5037 (3) | 0.0588 (19) | |
| H45 | 0.0189 | 0.7850 | 0.5078 | 0.071* | |
| C46 | 0.0521 (4) | 0.8646 (3) | 0.5387 (2) | 0.0468 (15) | |
| H46 | 0.0215 | 0.8576 | 0.5668 | 0.056* | |
| C47 | 0.0162 (3) | 0.9537 (3) | 0.61700 (18) | 0.0330 (12) | |
| C48 | −0.0656 (4) | 0.9769 (3) | 0.6110 (2) | 0.0489 (16) | |
| H48 | −0.0772 | 1.0049 | 0.5865 | 0.059* | |
| C49 | −0.1296 (4) | 0.9587 (4) | 0.6410 (2) | 0.065 (2) | |
| H49 | −0.1850 | 0.9752 | 0.6374 | 0.077* | |
| C50 | −0.1147 (4) | 0.9174 (4) | 0.6759 (2) | 0.0580 (19) | |
| H50 | −0.1595 | 0.9056 | 0.6962 | 0.070* | |
| C51 | −0.0346 (4) | 0.8929 (3) | 0.6816 (2) | 0.0502 (16) | |
| H51 | −0.0243 | 0.8637 | 0.7055 | 0.060* | |
| C52 | 0.0317 (4) | 0.9112 (3) | 0.6520 (2) | 0.0400 (14) | |
| H52 | 0.0870 | 0.8945 | 0.6559 | 0.048* | |
| C53 | 0.2719 (3) | 0.8818 (2) | 0.57815 (17) | 0.0269 (11) | |
| C54 | 0.2851 (4) | 0.8208 (2) | 0.5550 (2) | 0.0386 (13) | |
| H54A | 0.3287 | 0.8246 | 0.5307 | 0.058* | 0.50 |
| H54B | 0.2317 | 0.8073 | 0.5408 | 0.058* | 0.50 |
| H54C | 0.3035 | 0.7909 | 0.5783 | 0.058* | 0.50 |
| H54D | 0.2472 | 0.7906 | 0.5692 | 0.058* | 0.50 |
| H54E | 0.3442 | 0.8079 | 0.5591 | 0.058* | 0.50 |
| H54F | 0.2724 | 0.8243 | 0.5215 | 0.058* | 0.50 |
| S1 | 0.71959 (16) | 0.70092 (13) | 0.66161 (10) | 0.0689 (7) | 0.75 |
| F1 | 0.8095 (8) | 0.7154 (5) | 0.5899 (3) | 0.299 (12) | 0.75 |
| F2 | 0.8041 (9) | 0.7953 (3) | 0.6335 (4) | 0.279 (10) | 0.75 |
| F3 | 0.8855 (5) | 0.7204 (6) | 0.6522 (3) | 0.225 (6) | 0.75 |
| O3 | 0.7261 (3) | 0.6357 (2) | 0.6583 (2) | 0.0504 (15) | 0.75 |
| O4 | 0.6611 (4) | 0.7297 (4) | 0.6355 (2) | 0.081 (2) | 0.75 |
| O5 | 0.7051 (7) | 0.7148 (3) | 0.7085 (2) | 0.103 (3) | 0.75 |
| C55 | 0.8117 (3) | 0.7352 (3) | 0.6335 (2) | 0.0689 (7) | 0.75 |
| Cl1 | 0.8005 (6) | 0.7210 (6) | 0.6672 (4) | 0.108 (4) | 0.25 |
| Ru1 | 0.0256 (2) | 0.0248 (2) | 0.0145 (2) | 0.00014 (16) | −0.00011 (15) | −0.00065 (16) |
| P1 | 0.0301 (7) | 0.0292 (7) | 0.0157 (6) | 0.0006 (5) | 0.0028 (5) | −0.0011 (5) |
| P2 | 0.0269 (6) | 0.0310 (7) | 0.0188 (6) | 0.0010 (6) | −0.0008 (5) | −0.0006 (5) |
| P3 | 0.0282 (7) | 0.0255 (6) | 0.0164 (6) | 0.0016 (5) | 0.0026 (5) | −0.0005 (5) |
| P4 | 0.0275 (7) | 0.0320 (7) | 0.0210 (7) | −0.0015 (5) | −0.0032 (5) | −0.0002 (6) |
| O1 | 0.0340 (19) | 0.0292 (19) | 0.0236 (19) | 0.0007 (15) | −0.0014 (15) | −0.0037 (15) |
| O2 | 0.0330 (19) | 0.0274 (18) | 0.0202 (18) | 0.0001 (15) | −0.0003 (15) | −0.0016 (14) |
| C1 | 0.042 (3) | 0.032 (3) | 0.021 (3) | 0.004 (2) | 0.013 (2) | 0.007 (2) |
| C2 | 0.045 (3) | 0.042 (3) | 0.030 (3) | 0.007 (3) | 0.010 (3) | 0.001 (3) |
| C3 | 0.044 (3) | 0.052 (4) | 0.045 (4) | 0.011 (3) | 0.019 (3) | 0.014 (3) |
| C4 | 0.068 (5) | 0.044 (4) | 0.048 (4) | 0.018 (3) | 0.030 (4) | 0.016 (3) |
| C5 | 0.081 (5) | 0.032 (3) | 0.042 (4) | 0.015 (3) | 0.012 (3) | 0.001 (3) |
| C6 | 0.066 (4) | 0.029 (3) | 0.025 (3) | 0.002 (3) | 0.011 (3) | 0.002 (2) |
| C7 | 0.025 (2) | 0.033 (3) | 0.019 (2) | −0.004 (2) | −0.003 (2) | 0.002 (2) |
| C8 | 0.036 (3) | 0.036 (3) | 0.021 (3) | 0.002 (2) | 0.004 (2) | 0.001 (2) |
| C9 | 0.037 (3) | 0.044 (3) | 0.021 (3) | 0.002 (2) | 0.005 (2) | 0.002 (2) |
| C10 | 0.038 (3) | 0.045 (3) | 0.022 (3) | −0.013 (3) | −0.003 (2) | 0.007 (2) |
| C11 | 0.050 (3) | 0.032 (3) | 0.021 (3) | −0.007 (3) | −0.004 (2) | 0.001 (2) |
| C12 | 0.038 (3) | 0.038 (3) | 0.012 (2) | −0.003 (2) | 0.001 (2) | −0.002 (2) |
| C13 | 0.041 (3) | 0.034 (3) | 0.014 (2) | −0.006 (2) | 0.000 (2) | −0.003 (2) |
| C14 | 0.033 (3) | 0.047 (3) | 0.019 (3) | −0.006 (2) | −0.003 (2) | −0.001 (2) |
| C15 | 0.027 (3) | 0.032 (3) | 0.035 (3) | −0.002 (2) | −0.006 (2) | 0.005 (2) |
| C16 | 0.038 (3) | 0.044 (3) | 0.048 (4) | 0.001 (3) | 0.001 (3) | 0.010 (3) |
| C17 | 0.048 (4) | 0.045 (4) | 0.075 (5) | −0.001 (3) | −0.005 (4) | 0.025 (4) |
| C18 | 0.045 (4) | 0.026 (3) | 0.087 (5) | 0.001 (3) | −0.017 (4) | 0.005 (3) |
| C19 | 0.048 (4) | 0.039 (3) | 0.063 (4) | 0.006 (3) | −0.005 (3) | −0.012 (3) |
| C20 | 0.046 (3) | 0.030 (3) | 0.037 (3) | 0.003 (3) | −0.002 (3) | 0.002 (2) |
| C21 | 0.026 (3) | 0.027 (3) | 0.026 (3) | 0.005 (2) | 0.001 (2) | 0.000 (2) |
| C22 | 0.037 (3) | 0.056 (4) | 0.034 (3) | −0.007 (3) | −0.006 (3) | 0.010 (3) |
| C23 | 0.041 (4) | 0.080 (5) | 0.058 (5) | −0.025 (3) | −0.008 (3) | 0.017 (4) |
| C24 | 0.042 (4) | 0.057 (4) | 0.062 (5) | −0.009 (3) | 0.015 (3) | 0.019 (4) |
| C25 | 0.048 (4) | 0.040 (3) | 0.040 (4) | 0.008 (3) | 0.019 (3) | 0.006 (3) |
| C26 | 0.038 (3) | 0.028 (3) | 0.029 (3) | 0.005 (2) | 0.007 (2) | −0.004 (2) |
| C27 | 0.034 (3) | 0.030 (3) | 0.021 (3) | −0.001 (2) | 0.001 (2) | −0.001 (2) |
| C28 | 0.031 (3) | 0.031 (3) | 0.024 (3) | 0.006 (2) | 0.005 (2) | −0.003 (2) |
| C29 | 0.049 (3) | 0.042 (3) | 0.024 (3) | 0.005 (3) | 0.011 (3) | −0.005 (2) |
| C30 | 0.080 (5) | 0.051 (4) | 0.021 (3) | −0.004 (3) | 0.015 (3) | 0.006 (3) |
| C31 | 0.102 (6) | 0.037 (3) | 0.030 (3) | 0.001 (4) | 0.021 (3) | 0.005 (3) |
| C32 | 0.077 (4) | 0.031 (3) | 0.027 (3) | 0.002 (3) | 0.011 (3) | 0.002 (2) |
| C33 | 0.027 (2) | 0.023 (2) | 0.019 (2) | 0.003 (2) | 0.001 (2) | 0.001 (2) |
| C34 | 0.035 (3) | 0.025 (3) | 0.039 (3) | 0.000 (2) | 0.006 (2) | −0.005 (2) |
| C35 | 0.035 (3) | 0.032 (3) | 0.048 (4) | −0.003 (2) | 0.001 (3) | −0.004 (3) |
| C36 | 0.047 (3) | 0.029 (3) | 0.039 (3) | −0.004 (3) | −0.003 (3) | −0.008 (2) |
| C37 | 0.049 (4) | 0.032 (3) | 0.032 (3) | 0.005 (3) | 0.006 (3) | −0.012 (2) |
| C38 | 0.037 (3) | 0.034 (3) | 0.023 (3) | −0.001 (2) | 0.008 (2) | 0.002 (2) |
| C39 | 0.031 (3) | 0.032 (3) | 0.026 (3) | 0.005 (2) | 0.002 (2) | 0.001 (2) |
| C40 | 0.030 (3) | 0.041 (3) | 0.024 (3) | 0.001 (2) | −0.002 (2) | 0.002 (2) |
| C41 | 0.032 (3) | 0.038 (3) | 0.027 (3) | 0.006 (2) | −0.009 (2) | −0.007 (2) |
| C42 | 0.035 (3) | 0.044 (3) | 0.027 (3) | 0.007 (2) | −0.007 (2) | −0.003 (2) |
| C43 | 0.040 (3) | 0.060 (4) | 0.028 (3) | 0.014 (3) | −0.010 (2) | −0.011 (3) |
| C44 | 0.060 (4) | 0.048 (4) | 0.052 (4) | 0.010 (3) | −0.022 (3) | −0.020 (3) |
| C45 | 0.071 (5) | 0.043 (4) | 0.062 (5) | −0.010 (3) | −0.011 (4) | −0.009 (3) |
| C46 | 0.059 (4) | 0.042 (3) | 0.039 (4) | −0.010 (3) | −0.003 (3) | −0.001 (3) |
| C47 | 0.028 (3) | 0.044 (3) | 0.028 (3) | −0.008 (2) | −0.001 (2) | −0.002 (2) |
| C48 | 0.037 (3) | 0.076 (5) | 0.034 (3) | −0.002 (3) | −0.004 (3) | 0.011 (3) |
| C49 | 0.031 (3) | 0.118 (6) | 0.044 (4) | −0.004 (4) | −0.001 (3) | 0.011 (4) |
| C50 | 0.044 (4) | 0.096 (6) | 0.034 (4) | −0.022 (4) | 0.008 (3) | 0.004 (4) |
| C51 | 0.052 (4) | 0.067 (4) | 0.031 (3) | −0.015 (3) | −0.001 (3) | 0.007 (3) |
| C52 | 0.036 (3) | 0.048 (3) | 0.036 (3) | −0.010 (3) | 0.001 (3) | 0.003 (3) |
| C53 | 0.026 (3) | 0.032 (3) | 0.022 (3) | −0.001 (2) | −0.006 (2) | −0.001 (2) |
| C54 | 0.052 (4) | 0.035 (3) | 0.029 (3) | 0.001 (3) | −0.004 (3) | −0.007 (2) |
| S1 | 0.0557 (15) | 0.0781 (17) | 0.0728 (18) | 0.0190 (13) | −0.0043 (12) | −0.0238 (14) |
| F1 | 0.45 (2) | 0.272 (15) | 0.179 (11) | 0.273 (17) | −0.189 (14) | −0.138 (11) |
| F2 | 0.49 (3) | 0.081 (7) | 0.270 (17) | 0.020 (11) | −0.152 (18) | −0.030 (9) |
| F3 | 0.090 (7) | 0.363 (19) | 0.223 (14) | 0.031 (9) | −0.042 (8) | −0.043 (14) |
| O3 | 0.048 (3) | 0.040 (3) | 0.064 (4) | 0.003 (3) | 0.010 (3) | −0.023 (3) |
| O4 | 0.067 (4) | 0.116 (6) | 0.059 (4) | 0.057 (4) | −0.026 (4) | −0.017 (4) |
| O5 | 0.230 (10) | 0.052 (4) | 0.027 (3) | 0.059 (5) | 0.022 (5) | −0.010 (3) |
| C55 | 0.0557 (15) | 0.0781 (17) | 0.0728 (18) | 0.0190 (13) | −0.0043 (12) | −0.0238 (14) |
| Cl1 | 0.063 (6) | 0.133 (9) | 0.127 (9) | −0.010 (6) | 0.005 (6) | 0.036 (8) |
| Ru1—O1 | 2.191 (3) | C25—C26 | 1.383 (8) |
| Ru1—O2 | 2.202 (3) | C25—H25 | 0.9500 |
| Ru1—P3 | 2.2881 (13) | C26—H26 | 0.9500 |
| Ru1—P1 | 2.3211 (13) | C27—C28 | 1.386 (7) |
| Ru1—P2 | 2.3680 (13) | C27—C32 | 1.397 (7) |
| Ru1—P4 | 2.3791 (13) | C28—C29 | 1.398 (7) |
| P1—C13 | 1.841 (5) | C28—H28 | 0.9500 |
| P1—C1 | 1.841 (5) | C29—C30 | 1.368 (8) |
| P1—C7 | 1.844 (5) | C29—H29 | 0.9500 |
| P2—C21 | 1.827 (5) | C30—C31 | 1.372 (8) |
| P2—C14 | 1.837 (5) | C30—H30 | 0.9500 |
| P2—C15 | 1.837 (5) | C31—C32 | 1.385 (8) |
| P3—C33 | 1.828 (5) | C31—H31 | 0.9500 |
| P3—C27 | 1.841 (5) | C32—H32 | 0.9500 |
| P3—C39 | 1.846 (5) | C33—C38 | 1.390 (7) |
| P4—C47 | 1.825 (5) | C33—C34 | 1.394 (7) |
| P4—C40 | 1.840 (5) | C34—C35 | 1.389 (7) |
| P4—C41 | 1.846 (5) | C34—H34 | 0.9500 |
| O1—C53 | 1.267 (6) | C35—C36 | 1.384 (8) |
| O2—C53 | 1.262 (6) | C35—H35 | 0.9500 |
| C1—C2 | 1.386 (8) | C36—C37 | 1.379 (8) |
| C1—C6 | 1.391 (8) | C36—H36 | 0.9500 |
| C2—C3 | 1.394 (8) | C37—C38 | 1.382 (7) |
| C2—H2 | 0.9500 | C37—H37 | 0.9500 |
| C3—C4 | 1.378 (9) | C38—H38 | 0.9500 |
| C3—H3 | 0.9500 | C39—C40 | 1.521 (7) |
| C4—C5 | 1.379 (10) | C39—H39A | 0.9900 |
| C4—H4 | 0.9500 | C39—H39B | 0.9900 |
| C5—C6 | 1.388 (8) | C40—H40A | 0.9900 |
| C5—H5 | 0.9500 | C40—H40B | 0.9900 |
| C6—H6 | 0.9500 | C41—C46 | 1.397 (8) |
| C7—C12 | 1.389 (7) | C41—C42 | 1.405 (8) |
| C7—C8 | 1.398 (7) | C42—C43 | 1.392 (8) |
| C8—C9 | 1.383 (7) | C42—H42 | 0.9500 |
| C8—H8 | 0.9500 | C43—C44 | 1.380 (9) |
| C9—C10 | 1.387 (8) | C43—H43 | 0.9500 |
| C9—H9 | 0.9500 | C44—C45 | 1.381 (10) |
| C10—C11 | 1.382 (7) | C44—H44 | 0.9500 |
| C10—H10 | 0.9500 | C45—C46 | 1.380 (9) |
| C11—C12 | 1.371 (7) | C45—H45 | 0.9500 |
| C11—H11 | 0.9500 | C46—H46 | 0.9500 |
| C12—H12 | 0.9500 | C47—C52 | 1.389 (8) |
| C13—C14 | 1.530 (7) | C47—C48 | 1.395 (8) |
| C13—H13A | 0.9900 | C48—C49 | 1.384 (9) |
| C13—H13B | 0.9900 | C48—H48 | 0.9500 |
| C14—H14A | 0.9900 | C49—C50 | 1.366 (10) |
| C14—H14B | 0.9900 | C49—H49 | 0.9500 |
| C15—C16 | 1.381 (8) | C50—C51 | 1.381 (10) |
| C15—C20 | 1.397 (8) | C50—H50 | 0.9500 |
| C16—C17 | 1.386 (9) | C51—C52 | 1.402 (8) |
| C16—H16 | 0.9500 | C51—H51 | 0.9500 |
| C17—C18 | 1.379 (10) | C52—H52 | 0.9500 |
| C17—H17 | 0.9500 | C53—C54 | 1.505 (7) |
| C18—C19 | 1.381 (9) | C54—H54A | 0.9800 |
| C18—H18 | 0.9500 | C54—H54B | 0.9800 |
| C19—C20 | 1.388 (8) | C54—H54C | 0.9800 |
| C19—H19 | 0.9500 | C54—H54D | 0.9800 |
| C20—H20 | 0.9500 | C54—H54E | 0.9800 |
| C21—C22 | 1.376 (8) | C54—H54F | 0.9800 |
| C21—C26 | 1.400 (7) | S1—O4 | 1.343 (6) |
| C22—C23 | 1.390 (8) | S1—O5 | 1.394 (6) |
| C22—H22 | 0.9500 | S1—O3 | 1.434 (6) |
| C23—C24 | 1.377 (9) | S1—C55 | 1.8204 (10) |
| C23—H23 | 0.9500 | F1—C55 | 1.3206 (10) |
| C24—C25 | 1.372 (9) | F2—C55 | 1.3209 (10) |
| C24—H24 | 0.9500 | F3—C55 | 1.3207 (10) |
| O1—Ru1—O2 | 59.18 (12) | C26—C25—H25 | 119.8 |
| O1—Ru1—P3 | 105.48 (10) | C25—C26—C21 | 120.4 (5) |
| O2—Ru1—P3 | 160.60 (9) | C25—C26—H26 | 119.8 |
| O1—Ru1—P1 | 161.81 (10) | C21—C26—H26 | 119.8 |
| O2—Ru1—P1 | 106.97 (9) | C28—C27—C32 | 118.8 (5) |
| P3—Ru1—P1 | 90.34 (5) | C28—C27—P3 | 122.9 (4) |
| O1—Ru1—P2 | 85.62 (10) | C32—C27—P3 | 118.1 (4) |
| O2—Ru1—P2 | 89.53 (9) | C27—C28—C29 | 120.3 (5) |
| P3—Ru1—P2 | 101.66 (5) | C27—C28—H28 | 119.8 |
| P1—Ru1—P2 | 82.36 (5) | C29—C28—H28 | 119.8 |
| O1—Ru1—P4 | 88.08 (10) | C30—C29—C28 | 119.9 (5) |
| O2—Ru1—P4 | 84.19 (9) | C30—C29—H29 | 120.1 |
| P3—Ru1—P4 | 83.44 (5) | C28—C29—H29 | 120.1 |
| P1—Ru1—P4 | 102.89 (5) | C29—C30—C31 | 120.5 (5) |
| P2—Ru1—P4 | 172.77 (5) | C29—C30—H30 | 119.7 |
| O1—Ru1—C53 | 29.65 (14) | C31—C30—H30 | 119.7 |
| O2—Ru1—C53 | 29.55 (14) | C30—C31—C32 | 120.2 (6) |
| P3—Ru1—C53 | 133.90 (12) | C30—C31—H31 | 119.9 |
| P1—Ru1—C53 | 135.75 (12) | C32—C31—H31 | 119.9 |
| P2—Ru1—C53 | 87.98 (11) | C31—C32—C27 | 120.3 (5) |
| P4—Ru1—C53 | 84.79 (11) | C31—C32—H32 | 119.9 |
| C13—P1—C1 | 102.4 (3) | C27—C32—H32 | 119.9 |
| C13—P1—C7 | 99.9 (2) | C38—C33—C34 | 118.7 (5) |
| C1—P1—C7 | 99.7 (2) | C38—C33—P3 | 122.5 (4) |
| C13—P1—Ru1 | 107.82 (16) | C34—C33—P3 | 118.8 (4) |
| C1—P1—Ru1 | 127.97 (18) | C35—C34—C33 | 121.0 (5) |
| C7—P1—Ru1 | 115.12 (17) | C35—C34—H34 | 119.5 |
| C21—P2—C14 | 106.9 (2) | C33—C34—H34 | 119.5 |
| C21—P2—C15 | 102.9 (2) | C36—C35—C34 | 119.4 (5) |
| C14—P2—C15 | 105.0 (3) | C36—C35—H35 | 120.3 |
| C21—P2—Ru1 | 119.04 (17) | C34—C35—H35 | 120.3 |
| C14—P2—Ru1 | 109.69 (18) | C37—C36—C35 | 119.9 (5) |
| C15—P2—Ru1 | 112.26 (17) | C37—C36—H36 | 120.1 |
| C33—P3—C27 | 100.5 (2) | C35—C36—H36 | 120.1 |
| C33—P3—C39 | 104.8 (2) | C36—C37—C38 | 120.8 (5) |
| C27—P3—C39 | 98.2 (2) | C36—C37—H37 | 119.6 |
| C33—P3—Ru1 | 124.40 (16) | C38—C37—H37 | 119.6 |
| C27—P3—Ru1 | 118.19 (17) | C37—C38—C33 | 120.2 (5) |
| C39—P3—Ru1 | 107.13 (17) | C37—C38—H38 | 119.9 |
| C47—P4—C40 | 108.1 (3) | C33—C38—H38 | 119.9 |
| C47—P4—C41 | 100.8 (2) | C40—C39—P3 | 108.2 (3) |
| C40—P4—C41 | 104.9 (2) | C40—C39—H39A | 110.1 |
| C47—P4—Ru1 | 118.71 (18) | P3—C39—H39A | 110.1 |
| C40—P4—Ru1 | 107.88 (17) | C40—C39—H39B | 110.1 |
| C41—P4—Ru1 | 115.37 (17) | P3—C39—H39B | 110.1 |
| C53—O1—Ru1 | 91.5 (3) | H39A—C39—H39B | 108.4 |
| C53—O2—Ru1 | 91.1 (3) | C39—C40—P4 | 109.7 (3) |
| C2—C1—C6 | 118.2 (5) | C39—C40—H40A | 109.7 |
| C2—C1—P1 | 119.2 (4) | P4—C40—H40A | 109.7 |
| C6—C1—P1 | 122.5 (5) | C39—C40—H40B | 109.7 |
| C1—C2—C3 | 121.4 (6) | P4—C40—H40B | 109.7 |
| C1—C2—H2 | 119.3 | H40A—C40—H40B | 108.2 |
| C3—C2—H2 | 119.3 | C46—C41—C42 | 118.4 (5) |
| C4—C3—C2 | 119.8 (6) | C46—C41—P4 | 121.7 (4) |
| C4—C3—H3 | 120.1 | C42—C41—P4 | 119.7 (4) |
| C2—C3—H3 | 120.1 | C43—C42—C41 | 120.3 (6) |
| C3—C4—C5 | 119.4 (6) | C43—C42—H42 | 119.8 |
| C3—C4—H4 | 120.3 | C41—C42—H42 | 119.8 |
| C5—C4—H4 | 120.3 | C44—C43—C42 | 120.3 (6) |
| C4—C5—C6 | 120.9 (6) | C44—C43—H43 | 119.8 |
| C4—C5—H5 | 119.5 | C42—C43—H43 | 119.8 |
| C6—C5—H5 | 119.5 | C43—C44—C45 | 119.6 (6) |
| C5—C6—C1 | 120.3 (6) | C43—C44—H44 | 120.2 |
| C5—C6—H6 | 119.8 | C45—C44—H44 | 120.2 |
| C1—C6—H6 | 119.8 | C46—C45—C44 | 121.0 (6) |
| C12—C7—C8 | 117.8 (5) | C46—C45—H45 | 119.5 |
| C12—C7—P1 | 122.3 (4) | C44—C45—H45 | 119.5 |
| C8—C7—P1 | 119.8 (4) | C45—C46—C41 | 120.4 (6) |
| C9—C8—C7 | 120.8 (5) | C45—C46—H46 | 119.8 |
| C9—C8—H8 | 119.6 | C41—C46—H46 | 119.8 |
| C7—C8—H8 | 119.6 | C52—C47—C48 | 119.7 (5) |
| C8—C9—C10 | 120.4 (5) | C52—C47—P4 | 117.3 (4) |
| C8—C9—H9 | 119.8 | C48—C47—P4 | 123.0 (4) |
| C10—C9—H9 | 119.8 | C49—C48—C47 | 119.4 (6) |
| C11—C10—C9 | 119.0 (5) | C49—C48—H48 | 120.3 |
| C11—C10—H10 | 120.5 | C47—C48—H48 | 120.3 |
| C9—C10—H10 | 120.5 | C50—C49—C48 | 121.3 (7) |
| C12—C11—C10 | 120.7 (5) | C50—C49—H49 | 119.3 |
| C12—C11—H11 | 119.7 | C48—C49—H49 | 119.3 |
| C10—C11—H11 | 119.7 | C49—C50—C51 | 120.0 (6) |
| C11—C12—C7 | 121.4 (5) | C49—C50—H50 | 120.0 |
| C11—C12—H12 | 119.3 | C51—C50—H50 | 120.0 |
| C7—C12—H12 | 119.3 | C50—C51—C52 | 119.8 (6) |
| C14—C13—P1 | 108.3 (3) | C50—C51—H51 | 120.1 |
| C14—C13—H13A | 110.0 | C52—C51—H51 | 120.1 |
| P1—C13—H13A | 110.0 | C47—C52—C51 | 119.7 (6) |
| C14—C13—H13B | 110.0 | C47—C52—H52 | 120.1 |
| P1—C13—H13B | 110.0 | C51—C52—H52 | 120.1 |
| H13A—C13—H13B | 108.4 | O2—C53—O1 | 118.1 (4) |
| C13—C14—P2 | 109.5 (3) | O2—C53—C54 | 120.9 (5) |
| C13—C14—H14A | 109.8 | O1—C53—C54 | 121.0 (5) |
| P2—C14—H14A | 109.8 | O2—C53—Ru1 | 59.4 (2) |
| C13—C14—H14B | 109.8 | O1—C53—Ru1 | 58.8 (2) |
| P2—C14—H14B | 109.8 | C54—C53—Ru1 | 177.0 (4) |
| H14A—C14—H14B | 108.2 | C53—C54—H54A | 109.5 |
| C16—C15—C20 | 118.6 (5) | C53—C54—H54B | 109.5 |
| C16—C15—P2 | 121.0 (4) | H54A—C54—H54B | 109.5 |
| C20—C15—P2 | 120.3 (4) | C53—C54—H54C | 109.5 |
| C15—C16—C17 | 120.3 (6) | H54A—C54—H54C | 109.5 |
| C15—C16—H16 | 119.8 | H54B—C54—H54C | 109.5 |
| C17—C16—H16 | 119.8 | C53—C54—H54D | 109.5 |
| C18—C17—C16 | 121.1 (6) | H54A—C54—H54D | 141.1 |
| C18—C17—H17 | 119.4 | H54B—C54—H54D | 56.3 |
| C16—C17—H17 | 119.4 | H54C—C54—H54D | 56.3 |
| C17—C18—C19 | 118.9 (6) | C53—C54—H54E | 109.5 |
| C17—C18—H18 | 120.5 | H54A—C54—H54E | 56.3 |
| C19—C18—H18 | 120.5 | H54B—C54—H54E | 141.1 |
| C18—C19—C20 | 120.4 (6) | H54C—C54—H54E | 56.3 |
| C18—C19—H19 | 119.8 | H54D—C54—H54E | 109.5 |
| C20—C19—H19 | 119.8 | C53—C54—H54F | 109.5 |
| C19—C20—C15 | 120.6 (6) | H54A—C54—H54F | 56.3 |
| C19—C20—H20 | 119.7 | H54B—C54—H54F | 56.3 |
| C15—C20—H20 | 119.7 | H54C—C54—H54F | 141.1 |
| C22—C21—C26 | 118.5 (5) | H54D—C54—H54F | 109.5 |
| C22—C21—P2 | 123.7 (4) | H54E—C54—H54F | 109.5 |
| C26—C21—P2 | 117.8 (4) | O4—S1—O5 | 108.7 (5) |
| C21—C22—C23 | 120.8 (6) | O4—S1—O3 | 118.6 (5) |
| C21—C22—H22 | 119.6 | O5—S1—O3 | 107.0 (4) |
| C23—C22—H22 | 119.6 | O4—S1—C55 | 96.1 (5) |
| C24—C23—C22 | 120.0 (6) | O5—S1—C55 | 117.8 (5) |
| C24—C23—H23 | 120.0 | O3—S1—C55 | 108.9 (3) |
| C22—C23—H23 | 120.0 | F1—C55—F3 | 108.95 (12) |
| C25—C24—C23 | 119.9 (6) | F1—C55—F2 | 108.94 (12) |
| C25—C24—H24 | 120.0 | F3—C55—F2 | 108.90 (12) |
| C23—C24—H24 | 120.0 | F1—C55—S1 | 105.2 (8) |
| C24—C25—C26 | 120.3 (6) | F3—C55—S1 | 114.9 (7) |
| C24—C25—H25 | 119.8 | F2—C55—S1 | 109.8 (8) |
| O1—Ru1—P1—C13 | 71.7 (4) | Ru1—P2—C15—C16 | −86.8 (5) |
| O2—Ru1—P1—C13 | 109.8 (2) | C21—P2—C15—C20 | −39.5 (5) |
| P3—Ru1—P1—C13 | −79.07 (18) | C14—P2—C15—C20 | −151.2 (4) |
| P2—Ru1—P1—C13 | 22.64 (18) | Ru1—P2—C15—C20 | 89.7 (4) |
| P4—Ru1—P1—C13 | −162.41 (18) | C20—C15—C16—C17 | −0.8 (9) |
| C53—Ru1—P1—C13 | 101.8 (2) | P2—C15—C16—C17 | 175.7 (5) |
| O1—Ru1—P1—C1 | −165.8 (4) | C15—C16—C17—C18 | −0.6 (10) |
| O2—Ru1—P1—C1 | −127.7 (2) | C16—C17—C18—C19 | 1.3 (10) |
| P3—Ru1—P1—C1 | 43.4 (2) | C17—C18—C19—C20 | −0.6 (9) |
| P2—Ru1—P1—C1 | 145.1 (2) | C18—C19—C20—C15 | −0.8 (9) |
| P4—Ru1—P1—C1 | −40.0 (2) | C16—C15—C20—C19 | 1.4 (8) |
| C53—Ru1—P1—C1 | −135.8 (3) | P2—C15—C20—C19 | −175.1 (5) |
| O1—Ru1—P1—C7 | −38.7 (4) | C14—P2—C21—C22 | 14.6 (5) |
| O2—Ru1—P1—C7 | −0.7 (2) | C15—P2—C21—C22 | −95.7 (5) |
| P3—Ru1—P1—C7 | 170.47 (17) | Ru1—P2—C21—C22 | 139.5 (4) |
| P2—Ru1—P1—C7 | −87.81 (17) | C14—P2—C21—C26 | −164.1 (4) |
| P4—Ru1—P1—C7 | 87.13 (18) | C15—P2—C21—C26 | 85.6 (4) |
| C53—Ru1—P1—C7 | −8.7 (2) | Ru1—P2—C21—C26 | −39.3 (4) |
| O1—Ru1—P2—C21 | 71.3 (2) | C26—C21—C22—C23 | −1.6 (9) |
| O2—Ru1—P2—C21 | 130.4 (2) | P2—C21—C22—C23 | 179.7 (5) |
| P3—Ru1—P2—C21 | −33.60 (19) | C21—C22—C23—C24 | 1.8 (11) |
| P1—Ru1—P2—C21 | −122.36 (19) | C22—C23—C24—C25 | −0.9 (11) |
| C53—Ru1—P2—C21 | 100.9 (2) | C23—C24—C25—C26 | −0.1 (10) |
| O1—Ru1—P2—C14 | −165.2 (2) | C24—C25—C26—C21 | 0.3 (8) |
| O2—Ru1—P2—C14 | −106.1 (2) | C22—C21—C26—C25 | 0.6 (8) |
| P3—Ru1—P2—C14 | 89.9 (2) | P2—C21—C26—C25 | 179.3 (4) |
| P1—Ru1—P2—C14 | 1.1 (2) | C33—P3—C27—C28 | 143.8 (4) |
| C53—Ru1—P2—C14 | −135.6 (2) | C39—P3—C27—C28 | −109.4 (5) |
| O1—Ru1—P2—C15 | −48.9 (2) | Ru1—P3—C27—C28 | 5.1 (5) |
| O2—Ru1—P2—C15 | 10.2 (2) | C33—P3—C27—C32 | −42.2 (5) |
| P3—Ru1—P2—C15 | −153.83 (19) | C39—P3—C27—C32 | 64.5 (5) |
| P1—Ru1—P2—C15 | 117.4 (2) | Ru1—P3—C27—C32 | 179.0 (4) |
| C53—Ru1—P2—C15 | −19.3 (2) | C32—C27—C28—C29 | 0.2 (8) |
| O1—Ru1—P3—C33 | −128.3 (2) | P3—C27—C28—C29 | 174.1 (4) |
| O2—Ru1—P3—C33 | −163.8 (3) | C27—C28—C29—C30 | −0.9 (9) |
| P1—Ru1—P3—C33 | 42.56 (19) | C28—C29—C30—C31 | 1.5 (10) |
| P2—Ru1—P3—C33 | −39.7 (2) | C29—C30—C31—C32 | −1.3 (12) |
| P4—Ru1—P3—C33 | 145.49 (19) | C30—C31—C32—C27 | 0.5 (11) |
| C53—Ru1—P3—C33 | −138.3 (2) | C28—C27—C32—C31 | 0.0 (9) |
| O1—Ru1—P3—C27 | −0.1 (2) | P3—C27—C32—C31 | −174.2 (5) |
| O2—Ru1—P3—C27 | −35.6 (4) | C27—P3—C33—C38 | 127.6 (4) |
| P1—Ru1—P3—C27 | 170.76 (19) | C39—P3—C33—C38 | 26.1 (5) |
| P2—Ru1—P3—C27 | 88.49 (19) | Ru1—P3—C33—C38 | −97.2 (4) |
| P4—Ru1—P3—C27 | −86.31 (19) | C27—P3—C33—C34 | −53.4 (4) |
| C53—Ru1—P3—C27 | −10.1 (3) | C39—P3—C33—C34 | −154.9 (4) |
| O1—Ru1—P3—C39 | 109.4 (2) | Ru1—P3—C33—C34 | 81.8 (4) |
| O2—Ru1—P3—C39 | 73.9 (3) | C38—C33—C34—C35 | 2.0 (8) |
| P1—Ru1—P3—C39 | −79.72 (18) | P3—C33—C34—C35 | −177.1 (4) |
| P2—Ru1—P3—C39 | −161.99 (18) | C33—C34—C35—C36 | −1.0 (9) |
| P4—Ru1—P3—C39 | 23.22 (18) | C34—C35—C36—C37 | −0.1 (9) |
| C53—Ru1—P3—C39 | 99.5 (2) | C35—C36—C37—C38 | 0.2 (9) |
| O1—Ru1—P4—C47 | 131.8 (2) | C36—C37—C38—C33 | 0.8 (8) |
| O2—Ru1—P4—C47 | 72.6 (2) | C34—C33—C38—C37 | −1.8 (8) |
| P3—Ru1—P4—C47 | −122.4 (2) | P3—C33—C38—C37 | 177.2 (4) |
| P1—Ru1—P4—C47 | −33.6 (2) | C33—P3—C39—C40 | 176.6 (3) |
| C53—Ru1—P4—C47 | 102.2 (2) | C27—P3—C39—C40 | 73.3 (4) |
| O1—Ru1—P4—C40 | −104.9 (2) | Ru1—P3—C39—C40 | −49.6 (4) |
| O2—Ru1—P4—C40 | −164.1 (2) | P3—C39—C40—P4 | 51.2 (4) |
| P3—Ru1—P4—C40 | 0.93 (18) | C47—P4—C40—C39 | 98.5 (4) |
| P1—Ru1—P4—C40 | 89.78 (19) | C41—P4—C40—C39 | −154.5 (4) |
| C53—Ru1—P4—C40 | −134.4 (2) | Ru1—P4—C40—C39 | −31.0 (4) |
| O1—Ru1—P4—C41 | 12.0 (2) | C47—P4—C41—C46 | −18.4 (5) |
| O2—Ru1—P4—C41 | −47.2 (2) | C40—P4—C41—C46 | −130.7 (5) |
| P3—Ru1—P4—C41 | 117.8 (2) | Ru1—P4—C41—C46 | 110.8 (5) |
| P1—Ru1—P4—C41 | −153.4 (2) | C47—P4—C41—C42 | 165.6 (4) |
| C53—Ru1—P4—C41 | −17.5 (2) | C40—P4—C41—C42 | 53.3 (5) |
| O2—Ru1—O1—C53 | 1.5 (3) | Ru1—P4—C41—C42 | −65.2 (4) |
| P3—Ru1—O1—C53 | −165.5 (3) | C46—C41—C42—C43 | 1.0 (8) |
| P1—Ru1—O1—C53 | 44.9 (5) | P4—C41—C42—C43 | 177.2 (4) |
| P2—Ru1—O1—C53 | 93.6 (3) | C41—C42—C43—C44 | −0.7 (8) |
| P4—Ru1—O1—C53 | −82.8 (3) | C42—C43—C44—C45 | 0.3 (9) |
| O1—Ru1—O2—C53 | −1.6 (3) | C43—C44—C45—C46 | −0.2 (10) |
| P3—Ru1—O2—C53 | 39.1 (4) | C44—C45—C46—C41 | 0.5 (10) |
| P1—Ru1—O2—C53 | −168.6 (3) | C42—C41—C46—C45 | −0.9 (9) |
| P2—Ru1—O2—C53 | −86.7 (3) | P4—C41—C46—C45 | −177.0 (5) |
| P4—Ru1—O2—C53 | 89.7 (3) | C40—P4—C47—C52 | −160.4 (4) |
| C13—P1—C1—C2 | 178.6 (4) | C41—P4—C47—C52 | 89.8 (5) |
| C7—P1—C1—C2 | −79.0 (4) | Ru1—P4—C47—C52 | −37.2 (5) |
| Ru1—P1—C1—C2 | 53.9 (5) | C40—P4—C47—C48 | 20.1 (6) |
| C13—P1—C1—C6 | −5.5 (5) | C41—P4—C47—C48 | −89.6 (5) |
| C7—P1—C1—C6 | 97.0 (4) | Ru1—P4—C47—C48 | 143.3 (5) |
| Ru1—P1—C1—C6 | −130.1 (4) | C52—C47—C48—C49 | 2.1 (10) |
| C6—C1—C2—C3 | 1.1 (8) | P4—C47—C48—C49 | −178.4 (5) |
| P1—C1—C2—C3 | 177.2 (4) | C47—C48—C49—C50 | −1.4 (11) |
| C1—C2—C3—C4 | −1.9 (9) | C48—C49—C50—C51 | −0.2 (12) |
| C2—C3—C4—C5 | 1.0 (9) | C49—C50—C51—C52 | 1.0 (11) |
| C3—C4—C5—C6 | 0.6 (9) | C48—C47—C52—C51 | −1.3 (9) |
| C4—C5—C6—C1 | −1.4 (9) | P4—C47—C52—C51 | 179.2 (5) |
| C2—C1—C6—C5 | 0.6 (8) | C50—C51—C52—C47 | −0.2 (9) |
| P1—C1—C6—C5 | −175.4 (4) | Ru1—O2—C53—O1 | 2.6 (4) |
| C13—P1—C7—C12 | −105.0 (4) | Ru1—O2—C53—C54 | −176.5 (4) |
| C1—P1—C7—C12 | 150.5 (4) | Ru1—O1—C53—O2 | −2.6 (4) |
| Ru1—P1—C7—C12 | 10.1 (5) | Ru1—O1—C53—C54 | 176.5 (4) |
| C13—P1—C7—C8 | 72.6 (4) | O1—Ru1—C53—O2 | 177.3 (5) |
| C1—P1—C7—C8 | −31.9 (5) | P3—Ru1—C53—O2 | −163.1 (2) |
| Ru1—P1—C7—C8 | −172.3 (3) | P1—Ru1—C53—O2 | 15.7 (3) |
| C12—C7—C8—C9 | −1.3 (8) | P2—Ru1—C53—O2 | 92.6 (3) |
| P1—C7—C8—C9 | −179.0 (4) | P4—Ru1—C53—O2 | −87.4 (3) |
| C7—C8—C9—C10 | 0.4 (8) | O2—Ru1—C53—O1 | −177.3 (5) |
| C8—C9—C10—C11 | 1.5 (8) | P3—Ru1—C53—O1 | 19.6 (3) |
| C9—C10—C11—C12 | −2.5 (8) | P1—Ru1—C53—O1 | −161.6 (2) |
| C10—C11—C12—C7 | 1.6 (8) | P2—Ru1—C53—O1 | −84.7 (3) |
| C8—C7—C12—C11 | 0.3 (8) | P4—Ru1—C53—O1 | 95.3 (3) |
| P1—C7—C12—C11 | 177.9 (4) | O4—S1—C55—F1 | −64.2 (5) |
| C1—P1—C13—C14 | 174.7 (3) | O5—S1—C55—F1 | −179.1 (5) |
| C7—P1—C13—C14 | 72.3 (4) | O3—S1—C55—F1 | 58.9 (5) |
| Ru1—P1—C13—C14 | −48.2 (4) | O4—S1—C55—F3 | 176.0 (6) |
| P1—C13—C14—P2 | 49.5 (4) | O5—S1—C55—F3 | 61.1 (6) |
| C21—P2—C14—C13 | 100.1 (4) | O3—S1—C55—F3 | −60.9 (6) |
| C15—P2—C14—C13 | −151.1 (4) | O4—S1—C55—F2 | 52.9 (6) |
| Ru1—P2—C14—C13 | −30.3 (4) | O5—S1—C55—F2 | −62.1 (6) |
| C21—P2—C15—C16 | 144.0 (5) | O3—S1—C55—F2 | 176.0 (5) |
| C14—P2—C15—C16 | 32.3 (5) |