| Literature DB >> 21578123 |
Paul J Fischer, Stefan G Minasian, John Arnold.
Abstract
Reaction of dichloridotetra-kis(dimethyl sulfoxide)ruthenium(II) and N-[3,5-di-tert-butyl-2-(trimethyl-silyl-oxy)benz-yl]-N,N-bis-(2-pyridylmeth-yl)amine (BPPA-TMS) affords the thermodynamic product cis,fac-[RuCl(2)(BPPA-TMS)(DMSO)] and kinetic product trans,mer-[RuCl(2)(BPPA-TMS)(DMSO)]. The title complex, [RuCl(2)(C(30)H(43)N(3)OSi)(C(2)H(6)OS)]·2CH(2)Cl(2), crystallizes as a dichloro-methane disolvate, with two formula units in the asymmetric unit. The complex exhibits a distorted-octa-hedral geometry about the low spin d(6) Ru(II) center. The BPPA-TMS ligand is coordinated in a facial fashion, with the DMSO ligand cis to the aliphatic nitro-gen atom of the BPPA-TMS ligand. One of the two dichloromethane solvate molecules is disordered over two positions in a 0.695:0.305 ratio.Entities:
Year: 2009 PMID: 21578123 PMCID: PMC2971178 DOI: 10.1107/S1600536809041324
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [RuCl2(C30H43N3OSi)(C2H6OS)]·2CH2Cl2 | |
| Triclinic, | |
| Hall symbol: -P 1 | Melting point: 162 K |
| Mo | |
| Cell parameters from 7479 reflections | |
| θ = 2.5–23.0° | |
| α = 82.039 (3)° | µ = 0.84 mm−1 |
| β = 76.212 (3)° | |
| γ = 89.148 (3)° | Plate, yellow |
| 0.33 × 0.31 × 0.02 mm |
| Bruker SMART CCD area-detector diffractometer | 15775 independent reflections |
| Radiation source: sealed tube | 8958 reflections with |
| graphite | |
| φ and ω scans | θmax = 25.4°, θmin = 2.5° |
| Absorption correction: multi-scan ( | |
| 52307 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 | |
| 15775 reflections | (Δ/σ)max = 0.001 |
| 861 parameters | Δρmax = 0.70 e Å−3 |
| 24 restraints | Δρmin = −0.57 e Å−3 |
| Experimental. Anal Calcd. For C34H53Cl6N3O2SSiRu C, 44.89; H, 5.87; N, 4.62. Found
C, 45.13; H, 5.86; N, 4.96.NMR (CD3CN, 400 MHz) 1H δ 9.73 (d, J = 5.2 Hz 1H, α-pyridyl), 9.27 (d, J
= 5.2, 1H, α-pyridyl), 7.57 (app t, J = 7.6 Hz, 1H, |
| 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. A crystal (approximate dimensions 1/4 |
| Occ. (<1) | |||||
| Ru1A | 0.29376 (4) | 0.13565 (2) | 0.115631 (17) | 0.01704 (11) | |
| Cl1A | 0.30575 (12) | 0.24252 (6) | 0.16712 (5) | 0.0241 (3) | |
| Cl2A | 0.34173 (12) | 0.21477 (7) | 0.01658 (5) | 0.0265 (3) | |
| S1A | 0.08900 (11) | 0.15552 (7) | 0.12116 (6) | 0.0208 (3) | |
| Si1A | 0.49345 (14) | 0.11139 (8) | 0.33698 (7) | 0.0304 (4) | |
| O1A | 0.4449 (3) | 0.03571 (17) | 0.31556 (14) | 0.0276 (9) | |
| O2A | −0.0055 (3) | 0.12446 (18) | 0.17877 (14) | 0.0271 (9) | |
| N1A | 0.2767 (4) | 0.04179 (19) | 0.07772 (17) | 0.0190 (9) | |
| N2A | 0.4846 (3) | 0.1227 (2) | 0.11801 (16) | 0.0182 (9) | |
| N3A | 0.2778 (4) | 0.0513 (2) | 0.19379 (17) | 0.0179 (9) | |
| C1A | 0.3088 (5) | 0.0334 (3) | 0.0179 (2) | 0.0254 (12) | |
| H1AA | 0.3552 | 0.0716 | −0.0112 | 0.031* | |
| C2A | 0.2771 (5) | −0.0283 (3) | −0.0033 (2) | 0.0342 (14) | |
| H2AB | 0.3019 | −0.0321 | −0.0463 | 0.041* | |
| C3A | 0.2101 (5) | −0.0843 (3) | 0.0369 (3) | 0.0353 (14) | |
| H3AA | 0.1853 | −0.1263 | 0.0222 | 0.042* | |
| C4A | 0.1794 (5) | −0.0784 (3) | 0.0994 (2) | 0.0302 (13) | |
| H4AA | 0.1357 | −0.1174 | 0.1286 | 0.036* | |
| C5A | 0.2133 (4) | −0.0146 (3) | 0.1192 (2) | 0.0227 (12) | |
| C6A | 0.1828 (5) | −0.0024 (3) | 0.1866 (2) | 0.0236 (12) | |
| H6AA | 0.0967 | 0.0169 | 0.1986 | 0.028* | |
| H6AB | 0.1869 | −0.0493 | 0.2136 | 0.028* | |
| C7A | 0.4031 (4) | 0.0129 (2) | 0.1856 (2) | 0.0188 (11) | |
| H7AA | 0.4122 | −0.0126 | 0.2262 | 0.023* | |
| H7AB | 0.4065 | −0.0241 | 0.1573 | 0.023* | |
| C8A | 0.5079 (5) | 0.0677 (2) | 0.1596 (2) | 0.0198 (11) | |
| C9A | 0.6227 (5) | 0.0616 (3) | 0.1757 (2) | 0.0240 (12) | |
| H9AA | 0.6372 | 0.0219 | 0.2049 | 0.029* | |
| C10A | 0.7160 (5) | 0.1139 (3) | 0.1486 (2) | 0.0292 (13) | |
| H10A | 0.7957 | 0.1106 | 0.1589 | 0.035* | |
| C11A | 0.6914 (4) | 0.1714 (3) | 0.1061 (2) | 0.0252 (13) | |
| H11B | 0.7538 | 0.2083 | 0.0872 | 0.030* | |
| C12A | 0.5754 (4) | 0.1742 (3) | 0.0919 (2) | 0.0238 (12) | |
| H12B | 0.5587 | 0.2134 | 0.0629 | 0.029* | |
| C13A | 0.2423 (4) | 0.0793 (2) | 0.2559 (2) | 0.0198 (11) | |
| H13A | 0.1617 | 0.1056 | 0.2589 | 0.024* | |
| H13B | 0.3077 | 0.1153 | 0.2572 | 0.024* | |
| C14A | 0.2280 (5) | 0.0210 (3) | 0.3121 (2) | 0.0235 (12) | |
| C15A | 0.3303 (4) | −0.0031 (3) | 0.3377 (2) | 0.0198 (11) | |
| C16A | 0.3174 (5) | −0.0649 (3) | 0.3827 (2) | 0.0223 (12) | |
| C17A | 0.1948 (5) | −0.0944 (3) | 0.4064 (2) | 0.0277 (13) | |
| H17A | 0.1837 | −0.1358 | 0.4377 | 0.033* | |
| C18A | 0.0890 (5) | −0.0676 (3) | 0.3876 (2) | 0.0265 (13) | |
| C19A | 0.1088 (5) | −0.0115 (3) | 0.3380 (2) | 0.0233 (12) | |
| H19A | 0.0397 | 0.0053 | 0.3213 | 0.028* | |
| C20A | −0.0437 (5) | −0.0989 (3) | 0.4162 (3) | 0.0395 (15) | |
| C21A | −0.1305 (6) | −0.0365 (4) | 0.4392 (3) | 0.073 (2) | |
| H21A | −0.2174 | −0.0553 | 0.4547 | 0.109* | |
| H21B | −0.1268 | 0.0031 | 0.4048 | 0.109* | |
| H21C | −0.1022 | −0.0177 | 0.4726 | 0.109* | |
| C22A | −0.0947 (6) | −0.1316 (4) | 0.3685 (3) | 0.079 (3) | |
| H22A | −0.0355 | −0.1676 | 0.3504 | 0.119* | |
| H22B | −0.1053 | −0.0927 | 0.3357 | 0.119* | |
| H22C | −0.1765 | −0.1557 | 0.3885 | 0.119* | |
| C23A | −0.0488 (5) | −0.1573 (3) | 0.4723 (3) | 0.0505 (18) | |
| H23A | −0.0014 | −0.2001 | 0.4588 | 0.076* | |
| H23B | −0.1368 | −0.1719 | 0.4917 | 0.076* | |
| H23C | −0.0114 | −0.1374 | 0.5024 | 0.076* | |
| C24A | 0.4293 (5) | −0.1028 (3) | 0.4046 (2) | 0.0287 (13) | |
| C25A | 0.3952 (6) | −0.1816 (3) | 0.4386 (3) | 0.0517 (18) | |
| H25A | 0.3609 | −0.2100 | 0.4123 | 0.078* | |
| H25B | 0.3321 | −0.1795 | 0.4776 | 0.078* | |
| H25C | 0.4712 | −0.2051 | 0.4476 | 0.078* | |
| C26A | 0.5413 (5) | −0.1092 (3) | 0.3498 (3) | 0.0465 (16) | |
| H26A | 0.5748 | −0.0602 | 0.3309 | 0.070* | |
| H26B | 0.5138 | −0.1337 | 0.3190 | 0.070* | |
| H26C | 0.6074 | −0.1379 | 0.3645 | 0.070* | |
| C27A | 0.4694 (5) | −0.0597 (3) | 0.4507 (2) | 0.0417 (15) | |
| H27A | 0.4961 | −0.0100 | 0.4304 | 0.063* | |
| H27B | 0.5397 | −0.0843 | 0.4648 | 0.063* | |
| H27C | 0.3981 | −0.0571 | 0.4864 | 0.063* | |
| C28A | 0.3788 (6) | 0.1316 (3) | 0.4077 (2) | 0.0467 (17) | |
| H28A | 0.2999 | 0.1481 | 0.3972 | 0.070* | |
| H28B | 0.4136 | 0.1701 | 0.4253 | 0.070* | |
| H28C | 0.3622 | 0.0872 | 0.4383 | 0.070* | |
| C29A | 0.6577 (5) | 0.0943 (3) | 0.3460 (3) | 0.0551 (19) | |
| H29A | 0.7100 | 0.0803 | 0.3075 | 0.083* | |
| H29B | 0.6563 | 0.0547 | 0.3802 | 0.083* | |
| H29C | 0.6929 | 0.1390 | 0.3550 | 0.083* | |
| C30A | 0.5066 (5) | 0.1913 (3) | 0.2768 (2) | 0.0393 (15) | |
| H30A | 0.4221 | 0.2067 | 0.2732 | 0.059* | |
| H30B | 0.5546 | 0.1783 | 0.2370 | 0.059* | |
| H30C | 0.5503 | 0.2315 | 0.2880 | 0.059* | |
| C31A | 0.0407 (5) | 0.1256 (3) | 0.0575 (2) | 0.0300 (13) | |
| H31A | −0.0439 | 0.1435 | 0.0568 | 0.045* | |
| H31B | 0.0396 | 0.0719 | 0.0623 | 0.045* | |
| H31C | 0.1002 | 0.1449 | 0.0185 | 0.045* | |
| C32A | 0.0529 (5) | 0.2500 (2) | 0.1080 (2) | 0.0284 (13) | |
| H32A | −0.0375 | 0.2550 | 0.1099 | 0.043* | |
| H32B | 0.1015 | 0.2717 | 0.0669 | 0.043* | |
| H32C | 0.0747 | 0.2754 | 0.1398 | 0.043* | |
| Ru1B | 0.09676 (4) | 0.63569 (2) | 0.115900 (18) | 0.01900 (12) | |
| Cl1B | 0.04663 (12) | 0.74054 (6) | 0.17174 (6) | 0.0278 (3) | |
| Cl2B | 0.11675 (13) | 0.71495 (7) | 0.01828 (6) | 0.0323 (3) | |
| S1B | 0.30095 (12) | 0.65563 (7) | 0.10974 (6) | 0.0247 (3) | |
| Si1B | −0.21556 (15) | 0.61342 (9) | 0.37330 (7) | 0.0355 (4) | |
| O1B | −0.1606 (3) | 0.53386 (18) | 0.34994 (15) | 0.0296 (9) | |
| O2B | 0.3538 (3) | 0.62659 (19) | 0.16344 (16) | 0.0341 (9) | |
| N1B | 0.1388 (4) | 0.5427 (2) | 0.07480 (18) | 0.0227 (10) | |
| N2B | −0.0989 (4) | 0.6230 (2) | 0.13090 (18) | 0.0219 (10) | |
| N3B | 0.0615 (3) | 0.5517 (2) | 0.19497 (17) | 0.0185 (9) | |
| C1B | 0.1459 (5) | 0.5359 (3) | 0.0146 (2) | 0.0268 (13) | |
| H1BA | 0.1197 | 0.5755 | −0.0112 | 0.032* | |
| C2B | 0.1902 (5) | 0.4731 (3) | −0.0107 (2) | 0.0334 (14) | |
| H2BB | 0.1956 | 0.4701 | −0.0532 | 0.040* | |
| C3B | 0.2263 (5) | 0.4147 (3) | 0.0269 (2) | 0.0348 (14) | |
| H3BA | 0.2582 | 0.3716 | 0.0104 | 0.042* | |
| C4B | 0.2153 (5) | 0.4203 (3) | 0.0897 (2) | 0.0277 (13) | |
| H4BA | 0.2376 | 0.3805 | 0.1166 | 0.033* | |
| C5B | 0.1715 (4) | 0.4846 (3) | 0.1120 (2) | 0.0220 (12) | |
| C6B | 0.1608 (4) | 0.4966 (2) | 0.1781 (2) | 0.0205 (11) | |
| H6BA | 0.1382 | 0.4499 | 0.2061 | 0.025* | |
| H6BB | 0.2427 | 0.5145 | 0.1827 | 0.025* | |
| C7B | −0.0641 (4) | 0.5167 (2) | 0.1998 (2) | 0.0212 (12) | |
| H7BA | −0.0519 | 0.4752 | 0.1755 | 0.025* | |
| H7BB | −0.1013 | 0.4968 | 0.2437 | 0.025* | |
| C8B | −0.1535 (5) | 0.5687 (3) | 0.1771 (2) | 0.0209 (12) | |
| C9B | −0.2821 (5) | 0.5614 (3) | 0.1982 (2) | 0.0313 (13) | |
| H9BA | −0.3181 | 0.5234 | 0.2306 | 0.038* | |
| C10B | −0.3592 (5) | 0.6103 (3) | 0.1717 (3) | 0.0367 (15) | |
| H10B | −0.4485 | 0.6055 | 0.1852 | 0.044* | |
| C11B | −0.3037 (5) | 0.6664 (3) | 0.1252 (3) | 0.0359 (14) | |
| H11A | −0.3541 | 0.7011 | 0.1069 | 0.043* | |
| C12B | −0.1740 (5) | 0.6704 (3) | 0.1064 (2) | 0.0275 (13) | |
| H12A | −0.1360 | 0.7085 | 0.0745 | 0.033* | |
| C13B | 0.0659 (5) | 0.5802 (3) | 0.25443 (19) | 0.0225 (12) | |
| H13C | 0.1443 | 0.6099 | 0.2470 | 0.027* | |
| H13D | −0.0062 | 0.6131 | 0.2650 | 0.027* | |
| C14B | 0.0617 (5) | 0.5227 (3) | 0.3090 (2) | 0.0230 (12) | |
| C15B | −0.0486 (5) | 0.4984 (3) | 0.3533 (2) | 0.0250 (12) | |
| C16B | −0.0451 (5) | 0.4371 (3) | 0.3990 (2) | 0.0276 (13) | |
| C17B | 0.0722 (5) | 0.4081 (3) | 0.4004 (2) | 0.0311 (14) | |
| H17B | 0.0757 | 0.3676 | 0.4311 | 0.037* | |
| C18B | 0.1847 (5) | 0.4341 (3) | 0.3601 (2) | 0.0294 (13) | |
| C19B | 0.1757 (5) | 0.4917 (3) | 0.3149 (2) | 0.0287 (13) | |
| H19B | 0.2510 | 0.5110 | 0.2866 | 0.034* | |
| C20B | 0.3134 (5) | 0.3992 (3) | 0.3607 (3) | 0.0381 (15) | |
| C21B | 0.3074 (7) | 0.3400 (4) | 0.4148 (3) | 0.089 (3) | |
| H21D | 0.3919 | 0.3204 | 0.4133 | 0.134* | |
| H21E | 0.2501 | 0.3005 | 0.4126 | 0.134* | |
| H21F | 0.2764 | 0.3604 | 0.4536 | 0.134* | |
| C22B | 0.3627 (8) | 0.3685 (5) | 0.3007 (3) | 0.102 (3) | |
| H22D | 0.4485 | 0.3508 | 0.2988 | 0.153* | |
| H22E | 0.3640 | 0.4070 | 0.2656 | 0.153* | |
| H22F | 0.3078 | 0.3278 | 0.2986 | 0.153* | |
| C23B | 0.4075 (6) | 0.4569 (4) | 0.3655 (3) | 0.074 (2) | |
| H23D | 0.4914 | 0.4355 | 0.3609 | 0.111* | |
| H23E | 0.3815 | 0.4740 | 0.4061 | 0.111* | |
| H23F | 0.4101 | 0.4983 | 0.3326 | 0.111* | |
| C24B | −0.1653 (5) | 0.4035 (3) | 0.4473 (2) | 0.0344 (14) | |
| C25B | −0.1391 (6) | 0.3274 (3) | 0.4791 (3) | 0.0499 (18) | |
| H25D | −0.2166 | 0.3071 | 0.5082 | 0.075* | |
| H25E | −0.0736 | 0.3318 | 0.5017 | 0.075* | |
| H25F | −0.1105 | 0.2949 | 0.4477 | 0.075* | |
| C26B | −0.2744 (6) | 0.3947 (3) | 0.4168 (3) | 0.0524 (18) | |
| H26D | −0.3490 | 0.3749 | 0.4485 | 0.079* | |
| H26E | −0.2504 | 0.3609 | 0.3860 | 0.079* | |
| H26F | −0.2939 | 0.4425 | 0.3964 | 0.079* | |
| C27B | −0.2033 (6) | 0.4525 (3) | 0.4985 (2) | 0.0491 (18) | |
| H27D | −0.2791 | 0.4319 | 0.5289 | 0.074* | |
| H27E | −0.2208 | 0.5018 | 0.4802 | 0.074* | |
| H27F | −0.1343 | 0.4552 | 0.5193 | 0.074* | |
| C28B | −0.1051 (6) | 0.6473 (3) | 0.4147 (3) | 0.0505 (17) | |
| H28D | −0.0215 | 0.6557 | 0.3864 | 0.076* | |
| H28E | −0.0994 | 0.6109 | 0.4501 | 0.076* | |
| H28F | −0.1359 | 0.6934 | 0.4295 | 0.076* | |
| C29B | −0.3792 (6) | 0.5965 (3) | 0.4213 (3) | 0.0556 (18) | |
| H29D | −0.3771 | 0.5670 | 0.4610 | 0.083* | |
| H29E | −0.4279 | 0.5701 | 0.3993 | 0.083* | |
| H29F | −0.4190 | 0.6434 | 0.4290 | 0.083* | |
| C30B | −0.2306 (6) | 0.6826 (3) | 0.3077 (3) | 0.0477 (16) | |
| H30D | −0.1471 | 0.6941 | 0.2799 | 0.072* | |
| H30E | −0.2667 | 0.7272 | 0.3234 | 0.072* | |
| H30F | −0.2860 | 0.6633 | 0.2848 | 0.072* | |
| C31B | 0.4028 (5) | 0.6244 (3) | 0.0436 (2) | 0.0397 (15) | |
| H31D | 0.4893 | 0.6417 | 0.0395 | 0.059* | |
| H31E | 0.3745 | 0.6436 | 0.0062 | 0.059* | |
| H31F | 0.4005 | 0.5707 | 0.0489 | 0.059* | |
| C32B | 0.3455 (5) | 0.7505 (3) | 0.0915 (2) | 0.0321 (14) | |
| H32D | 0.4363 | 0.7559 | 0.0879 | 0.048* | |
| H32E | 0.2988 | 0.7771 | 0.1245 | 0.048* | |
| H32F | 0.3259 | 0.7705 | 0.0520 | 0.048* | |
| Cl1C | 0.47593 (17) | 0.55631 (10) | 0.87226 (9) | 0.0723 (6) | |
| C1C | 0.4109 (5) | 0.6421 (2) | 0.8598 (3) | 0.068 (2) | |
| H1C1 | 0.3867 | 0.6620 | 0.8997 | 0.082* | |
| H1C2 | 0.4759 | 0.6755 | 0.8312 | 0.082* | |
| Cl2C | 0.27935 (18) | 0.64103 (10) | 0.82890 (11) | 0.0853 (7) | |
| Cl1D | −0.0460 (8) | 0.3220 (2) | 0.2756 (2) | 0.075 (2) | 0.693 (16) |
| C1D | 0.0112 (11) | 0.2334 (4) | 0.2809 (3) | 0.050 (3) | 0.693 (16) |
| H1D1 | −0.0374 | 0.2030 | 0.2611 | 0.060* | 0.693 (16) |
| H1D2 | 0.1002 | 0.2347 | 0.2571 | 0.060* | 0.693 (16) |
| Cl2D | 0.0030 (13) | 0.1918 (5) | 0.3562 (4) | 0.093 (2) | 0.693 (16) |
| Cl1E | −0.0996 (13) | 0.2932 (12) | 0.2747 (6) | 0.096 (4) | 0.307 (16) |
| C1E | 0.0426 (14) | 0.2746 (15) | 0.2952 (10) | 0.075 (8) | 0.307 (16) |
| H1E1 | 0.1067 | 0.2647 | 0.2580 | 0.090* | 0.307 (16) |
| H1E2 | 0.0711 | 0.3187 | 0.3092 | 0.090* | 0.307 (16) |
| Cl2E | 0.035 (4) | 0.2007 (13) | 0.3534 (9) | 0.109 (9) | 0.307 (16) |
| Ru1A | 0.0150 (2) | 0.0158 (2) | 0.0193 (2) | −0.00084 (17) | −0.00409 (18) | 0.00129 (17) |
| Cl1A | 0.0263 (7) | 0.0180 (7) | 0.0291 (7) | 0.0011 (5) | −0.0106 (6) | −0.0010 (5) |
| Cl2A | 0.0276 (8) | 0.0246 (7) | 0.0232 (7) | −0.0017 (6) | −0.0035 (6) | 0.0065 (5) |
| S1A | 0.0161 (7) | 0.0228 (7) | 0.0237 (7) | 0.0007 (5) | −0.0067 (6) | 0.0000 (6) |
| Si1A | 0.0315 (9) | 0.0294 (9) | 0.0326 (9) | −0.0023 (7) | −0.0132 (7) | −0.0018 (7) |
| O1A | 0.022 (2) | 0.030 (2) | 0.030 (2) | −0.0017 (16) | −0.0065 (16) | −0.0006 (16) |
| O2A | 0.0152 (19) | 0.035 (2) | 0.0273 (19) | −0.0032 (16) | −0.0022 (16) | 0.0034 (16) |
| N1A | 0.020 (2) | 0.013 (2) | 0.025 (2) | 0.0036 (17) | −0.0107 (19) | 0.0009 (18) |
| N2A | 0.018 (2) | 0.019 (2) | 0.017 (2) | 0.0043 (18) | −0.0025 (18) | −0.0018 (18) |
| N3A | 0.018 (2) | 0.014 (2) | 0.021 (2) | −0.0021 (17) | −0.0058 (18) | 0.0002 (17) |
| C1A | 0.027 (3) | 0.028 (3) | 0.019 (3) | 0.006 (2) | −0.005 (2) | 0.002 (2) |
| C2A | 0.047 (4) | 0.033 (4) | 0.025 (3) | 0.009 (3) | −0.010 (3) | −0.012 (3) |
| C3A | 0.043 (4) | 0.022 (3) | 0.046 (4) | 0.003 (3) | −0.020 (3) | −0.010 (3) |
| C4A | 0.030 (3) | 0.016 (3) | 0.045 (4) | −0.004 (2) | −0.014 (3) | 0.004 (2) |
| C5A | 0.017 (3) | 0.020 (3) | 0.032 (3) | 0.000 (2) | −0.012 (2) | 0.003 (2) |
| C6A | 0.023 (3) | 0.017 (3) | 0.026 (3) | 0.000 (2) | 0.001 (2) | 0.001 (2) |
| C7A | 0.017 (3) | 0.014 (3) | 0.027 (3) | 0.005 (2) | −0.010 (2) | 0.000 (2) |
| C8A | 0.023 (3) | 0.014 (3) | 0.021 (3) | 0.003 (2) | −0.002 (2) | −0.004 (2) |
| C9A | 0.021 (3) | 0.027 (3) | 0.023 (3) | 0.008 (2) | −0.007 (2) | −0.001 (2) |
| C10A | 0.012 (3) | 0.045 (4) | 0.031 (3) | 0.000 (2) | −0.004 (2) | −0.004 (3) |
| C11A | 0.015 (3) | 0.028 (3) | 0.029 (3) | −0.003 (2) | 0.001 (2) | −0.002 (2) |
| C12A | 0.021 (3) | 0.021 (3) | 0.026 (3) | −0.004 (2) | 0.000 (2) | 0.000 (2) |
| C13A | 0.017 (3) | 0.020 (3) | 0.022 (3) | 0.003 (2) | −0.002 (2) | −0.004 (2) |
| C14A | 0.027 (3) | 0.018 (3) | 0.024 (3) | 0.000 (2) | −0.006 (2) | 0.001 (2) |
| C15A | 0.016 (3) | 0.021 (3) | 0.022 (3) | 0.002 (2) | −0.004 (2) | 0.000 (2) |
| C16A | 0.026 (3) | 0.017 (3) | 0.024 (3) | −0.001 (2) | −0.011 (2) | 0.002 (2) |
| C17A | 0.032 (3) | 0.027 (3) | 0.022 (3) | −0.004 (3) | −0.006 (3) | 0.002 (2) |
| C18A | 0.025 (3) | 0.028 (3) | 0.025 (3) | −0.001 (2) | −0.006 (2) | 0.001 (2) |
| C19A | 0.023 (3) | 0.023 (3) | 0.021 (3) | 0.000 (2) | −0.003 (2) | 0.003 (2) |
| C20A | 0.022 (3) | 0.047 (4) | 0.041 (4) | −0.008 (3) | −0.006 (3) | 0.018 (3) |
| C21A | 0.029 (4) | 0.065 (5) | 0.097 (6) | 0.009 (3) | 0.016 (4) | 0.029 (4) |
| C22A | 0.058 (5) | 0.106 (6) | 0.072 (5) | −0.058 (5) | −0.024 (4) | 0.021 (5) |
| C23A | 0.032 (4) | 0.054 (4) | 0.052 (4) | −0.012 (3) | −0.002 (3) | 0.027 (3) |
| C24A | 0.024 (3) | 0.030 (3) | 0.035 (3) | −0.003 (2) | −0.016 (3) | 0.006 (2) |
| C25A | 0.048 (4) | 0.036 (4) | 0.076 (5) | 0.002 (3) | −0.034 (4) | 0.011 (3) |
| C26A | 0.034 (4) | 0.050 (4) | 0.060 (4) | 0.011 (3) | −0.020 (3) | −0.009 (3) |
| C27A | 0.045 (4) | 0.048 (4) | 0.039 (3) | 0.001 (3) | −0.025 (3) | −0.002 (3) |
| C28A | 0.061 (5) | 0.043 (4) | 0.035 (3) | 0.006 (3) | −0.009 (3) | −0.007 (3) |
| C29A | 0.041 (4) | 0.045 (4) | 0.085 (5) | −0.008 (3) | −0.032 (4) | 0.003 (4) |
| C30A | 0.049 (4) | 0.026 (3) | 0.040 (3) | −0.009 (3) | −0.006 (3) | −0.003 (3) |
| C31A | 0.022 (3) | 0.039 (3) | 0.034 (3) | 0.005 (2) | −0.014 (3) | −0.009 (3) |
| C32A | 0.019 (3) | 0.025 (3) | 0.043 (3) | 0.006 (2) | −0.014 (3) | 0.000 (3) |
| Ru1B | 0.0183 (2) | 0.0168 (2) | 0.0210 (2) | 0.00028 (17) | −0.00551 (18) | 0.00220 (17) |
| Cl1B | 0.0285 (8) | 0.0185 (7) | 0.0332 (7) | 0.0010 (5) | −0.0036 (6) | 0.0000 (6) |
| Cl2B | 0.0388 (9) | 0.0288 (8) | 0.0268 (7) | −0.0020 (6) | −0.0106 (6) | 0.0105 (6) |
| S1B | 0.0189 (7) | 0.0261 (8) | 0.0276 (7) | 0.0002 (6) | −0.0048 (6) | 0.0004 (6) |
| Si1B | 0.0317 (10) | 0.0375 (10) | 0.0354 (9) | 0.0037 (7) | −0.0036 (8) | −0.0065 (8) |
| O1B | 0.031 (2) | 0.028 (2) | 0.029 (2) | 0.0044 (17) | −0.0087 (17) | −0.0026 (16) |
| O2B | 0.022 (2) | 0.038 (2) | 0.042 (2) | 0.0010 (17) | −0.0139 (18) | 0.0059 (18) |
| N1B | 0.018 (2) | 0.023 (2) | 0.027 (2) | 0.0021 (18) | −0.0056 (19) | −0.001 (2) |
| N2B | 0.019 (2) | 0.022 (3) | 0.026 (2) | 0.0008 (19) | −0.008 (2) | −0.005 (2) |
| N3B | 0.013 (2) | 0.020 (2) | 0.023 (2) | −0.0010 (17) | −0.0072 (18) | 0.0022 (18) |
| C1B | 0.021 (3) | 0.030 (3) | 0.025 (3) | −0.005 (2) | −0.004 (2) | 0.005 (2) |
| C2B | 0.041 (4) | 0.030 (3) | 0.031 (3) | −0.003 (3) | −0.008 (3) | −0.009 (3) |
| C3B | 0.031 (3) | 0.029 (3) | 0.042 (4) | −0.001 (3) | 0.001 (3) | −0.013 (3) |
| C4B | 0.024 (3) | 0.020 (3) | 0.036 (3) | 0.001 (2) | −0.005 (3) | 0.002 (2) |
| C5B | 0.018 (3) | 0.018 (3) | 0.027 (3) | −0.002 (2) | −0.003 (2) | 0.003 (2) |
| C6B | 0.023 (3) | 0.017 (3) | 0.021 (3) | 0.007 (2) | −0.008 (2) | 0.004 (2) |
| C7B | 0.018 (3) | 0.019 (3) | 0.024 (3) | −0.005 (2) | −0.005 (2) | 0.004 (2) |
| C8B | 0.021 (3) | 0.020 (3) | 0.025 (3) | −0.003 (2) | −0.010 (2) | −0.005 (2) |
| C9B | 0.026 (3) | 0.029 (3) | 0.040 (3) | −0.002 (3) | −0.012 (3) | −0.001 (3) |
| C10B | 0.016 (3) | 0.043 (4) | 0.054 (4) | 0.001 (3) | −0.013 (3) | −0.010 (3) |
| C11B | 0.032 (4) | 0.033 (3) | 0.048 (4) | 0.006 (3) | −0.019 (3) | −0.007 (3) |
| C12B | 0.028 (3) | 0.021 (3) | 0.034 (3) | 0.006 (2) | −0.014 (3) | 0.005 (2) |
| C13B | 0.029 (3) | 0.024 (3) | 0.015 (3) | 0.004 (2) | −0.007 (2) | −0.001 (2) |
| C14B | 0.026 (3) | 0.023 (3) | 0.020 (3) | −0.001 (2) | −0.007 (2) | −0.002 (2) |
| C15B | 0.021 (3) | 0.024 (3) | 0.031 (3) | 0.002 (2) | −0.008 (2) | −0.001 (2) |
| C16B | 0.037 (4) | 0.025 (3) | 0.021 (3) | −0.002 (3) | −0.008 (3) | −0.002 (2) |
| C17B | 0.042 (4) | 0.024 (3) | 0.026 (3) | 0.002 (3) | −0.008 (3) | 0.002 (2) |
| C18B | 0.033 (3) | 0.027 (3) | 0.028 (3) | 0.005 (3) | −0.005 (3) | −0.004 (3) |
| C19B | 0.031 (3) | 0.035 (3) | 0.021 (3) | −0.006 (3) | −0.007 (2) | −0.002 (2) |
| C20B | 0.034 (4) | 0.045 (4) | 0.038 (4) | 0.017 (3) | −0.015 (3) | −0.005 (3) |
| C21B | 0.067 (6) | 0.097 (7) | 0.088 (6) | 0.035 (5) | −0.018 (5) | 0.040 (5) |
| C22B | 0.102 (7) | 0.138 (8) | 0.089 (6) | 0.079 (6) | −0.041 (5) | −0.072 (6) |
| C23B | 0.044 (5) | 0.076 (6) | 0.108 (6) | 0.022 (4) | −0.028 (4) | −0.015 (5) |
| C24B | 0.033 (3) | 0.033 (3) | 0.030 (3) | −0.003 (3) | 0.002 (3) | 0.004 (3) |
| C25B | 0.054 (4) | 0.033 (4) | 0.054 (4) | −0.011 (3) | −0.007 (3) | 0.014 (3) |
| C26B | 0.046 (4) | 0.055 (4) | 0.049 (4) | −0.019 (3) | −0.005 (3) | 0.008 (3) |
| C27B | 0.059 (5) | 0.049 (4) | 0.030 (3) | −0.004 (3) | 0.008 (3) | −0.004 (3) |
| C28B | 0.055 (4) | 0.046 (4) | 0.056 (4) | −0.001 (3) | −0.017 (3) | −0.018 (3) |
| C29B | 0.044 (4) | 0.056 (5) | 0.059 (4) | 0.008 (3) | 0.005 (3) | −0.015 (3) |
| C30B | 0.048 (4) | 0.045 (4) | 0.049 (4) | 0.020 (3) | −0.010 (3) | −0.006 (3) |
| C31B | 0.024 (3) | 0.041 (4) | 0.050 (4) | −0.004 (3) | 0.005 (3) | −0.013 (3) |
| C32B | 0.025 (3) | 0.030 (3) | 0.037 (3) | −0.005 (2) | −0.003 (3) | 0.001 (3) |
| Cl1C | 0.0637 (13) | 0.0573 (12) | 0.0960 (14) | −0.0096 (9) | −0.0320 (11) | 0.0135 (10) |
| C1C | 0.089 (6) | 0.042 (4) | 0.079 (5) | −0.016 (4) | −0.037 (5) | 0.001 (4) |
| Cl2C | 0.0590 (13) | 0.0635 (13) | 0.1423 (19) | 0.0031 (10) | −0.0388 (13) | −0.0191 (13) |
| Cl1D | 0.100 (5) | 0.048 (2) | 0.075 (2) | 0.026 (2) | −0.015 (2) | −0.0104 (17) |
| C1D | 0.065 (8) | 0.042 (5) | 0.044 (4) | 0.013 (5) | −0.007 (5) | −0.017 (4) |
| Cl2D | 0.137 (5) | 0.073 (3) | 0.054 (3) | 0.031 (3) | −0.006 (3) | 0.004 (3) |
| Cl1E | 0.085 (8) | 0.107 (12) | 0.109 (7) | 0.030 (7) | −0.040 (6) | −0.031 (7) |
| C1E | 0.077 (14) | 0.11 (2) | 0.047 (15) | 0.013 (18) | −0.022 (13) | −0.028 (11) |
| Cl2E | 0.17 (2) | 0.115 (13) | 0.045 (8) | 0.076 (13) | −0.028 (9) | −0.038 (7) |
| Ru1A—N1A | 2.060 (4) | S1B—O2B | 1.487 (4) |
| Ru1A—N2A | 2.105 (4) | S1B—C32B | 1.787 (5) |
| Ru1A—N3A | 2.151 (4) | S1B—C31B | 1.788 (5) |
| Ru1A—S1A | 2.2359 (14) | Si1B—O1B | 1.680 (4) |
| Ru1A—Cl2A | 2.4293 (13) | Si1B—C30B | 1.846 (6) |
| Ru1A—Cl1A | 2.4371 (12) | Si1B—C28B | 1.850 (6) |
| S1A—O2A | 1.496 (3) | Si1B—C29B | 1.858 (6) |
| S1A—C32A | 1.780 (5) | O1B—C15B | 1.391 (6) |
| S1A—C31A | 1.790 (5) | N1B—C1B | 1.356 (6) |
| Si1A—O1A | 1.670 (3) | N1B—C5B | 1.361 (6) |
| Si1A—C30A | 1.837 (5) | N2B—C12B | 1.341 (6) |
| Si1A—C28A | 1.850 (5) | N2B—C8B | 1.366 (6) |
| Si1A—C29A | 1.868 (6) | N3B—C6B | 1.492 (6) |
| O1A—C15A | 1.397 (5) | N3B—C7B | 1.498 (5) |
| N1A—C1A | 1.333 (6) | N3B—C13B | 1.510 (5) |
| N1A—C5A | 1.368 (5) | C1B—C2B | 1.391 (7) |
| N2A—C8A | 1.344 (6) | C1B—H1BA | 0.9500 |
| N2A—C12A | 1.349 (5) | C2B—C3B | 1.385 (7) |
| N3A—C6A | 1.495 (5) | C2B—H2BB | 0.9500 |
| N3A—C13A | 1.514 (5) | C3B—C4B | 1.402 (7) |
| N3A—C7A | 1.514 (6) | C3B—H3BA | 0.9500 |
| C1A—C2A | 1.370 (6) | C4B—C5B | 1.384 (6) |
| C1A—H1AA | 0.9500 | C4B—H4BA | 0.9500 |
| C2A—C3A | 1.365 (7) | C5B—C6B | 1.506 (6) |
| C2A—H2AB | 0.9500 | C6B—H6BA | 0.9900 |
| C3A—C4A | 1.378 (7) | C6B—H6BB | 0.9900 |
| C3A—H3AA | 0.9500 | C7B—C8B | 1.485 (7) |
| C4A—C5A | 1.399 (6) | C7B—H7BA | 0.9900 |
| C4A—H4AA | 0.9500 | C7B—H7BB | 0.9900 |
| C5A—C6A | 1.515 (6) | C8B—C9B | 1.372 (7) |
| C6A—H6AA | 0.9900 | C9B—C10B | 1.395 (7) |
| C6A—H6AB | 0.9900 | C9B—H9BA | 0.9500 |
| C7A—C8A | 1.492 (6) | C10B—C11B | 1.394 (7) |
| C7A—H7AA | 0.9900 | C10B—H10B | 0.9500 |
| C7A—H7AB | 0.9900 | C11B—C12B | 1.377 (7) |
| C8A—C9A | 1.383 (7) | C11B—H11A | 0.9500 |
| C9A—C10A | 1.380 (6) | C12B—H12A | 0.9500 |
| C9A—H9AA | 0.9500 | C13B—C14B | 1.495 (6) |
| C10A—C11A | 1.393 (7) | C13B—H13C | 0.9900 |
| C10A—H10A | 0.9500 | C13B—H13D | 0.9900 |
| C11A—C12A | 1.376 (6) | C14B—C19B | 1.389 (7) |
| C11A—H11B | 0.9500 | C14B—C15B | 1.400 (6) |
| C12A—H12B | 0.9500 | C15B—C16B | 1.422 (7) |
| C13A—C14A | 1.519 (6) | C16B—C17B | 1.385 (7) |
| C13A—H13A | 0.9900 | C16B—C24B | 1.561 (7) |
| C13A—H13B | 0.9900 | C17B—C18B | 1.386 (7) |
| C14A—C19A | 1.397 (6) | C17B—H17B | 0.9500 |
| C14A—C15A | 1.411 (7) | C18B—C19B | 1.383 (7) |
| C15A—C16A | 1.399 (6) | C18B—C20B | 1.538 (7) |
| C16A—C17A | 1.404 (6) | C19B—H19B | 0.9500 |
| C16A—C24A | 1.544 (7) | C20B—C21B | 1.504 (8) |
| C17A—C18A | 1.383 (7) | C20B—C22B | 1.508 (8) |
| C17A—H17A | 0.9500 | C20B—C23B | 1.521 (8) |
| C18A—C19A | 1.387 (6) | C21B—H21D | 0.9800 |
| C18A—C20A | 1.523 (7) | C21B—H21E | 0.9800 |
| C19A—H19A | 0.9500 | C21B—H21F | 0.9800 |
| C20A—C22A | 1.513 (8) | C22B—H22D | 0.9800 |
| C20A—C23A | 1.529 (7) | C22B—H22E | 0.9800 |
| C20A—C21A | 1.545 (8) | C22B—H22F | 0.9800 |
| C21A—H21A | 0.9800 | C23B—H23D | 0.9800 |
| C21A—H21B | 0.9800 | C23B—H23E | 0.9800 |
| C21A—H21C | 0.9800 | C23B—H23F | 0.9800 |
| C22A—H22A | 0.9800 | C24B—C26B | 1.529 (8) |
| C22A—H22B | 0.9800 | C24B—C27B | 1.535 (7) |
| C22A—H22C | 0.9800 | C24B—C25B | 1.537 (7) |
| C23A—H23A | 0.9800 | C25B—H25D | 0.9800 |
| C23A—H23B | 0.9800 | C25B—H25E | 0.9800 |
| C23A—H23C | 0.9800 | C25B—H25F | 0.9800 |
| C24A—C26A | 1.528 (7) | C26B—H26D | 0.9800 |
| C24A—C27A | 1.532 (7) | C26B—H26E | 0.9800 |
| C24A—C25A | 1.551 (7) | C26B—H26F | 0.9800 |
| C25A—H25A | 0.9800 | C27B—H27D | 0.9800 |
| C25A—H25B | 0.9800 | C27B—H27E | 0.9800 |
| C25A—H25C | 0.9800 | C27B—H27F | 0.9800 |
| C26A—H26A | 0.9800 | C28B—H28D | 0.9800 |
| C26A—H26B | 0.9800 | C28B—H28E | 0.9800 |
| C26A—H26C | 0.9800 | C28B—H28F | 0.9800 |
| C27A—H27A | 0.9800 | C29B—H29D | 0.9800 |
| C27A—H27B | 0.9800 | C29B—H29E | 0.9800 |
| C27A—H27C | 0.9800 | C29B—H29F | 0.9800 |
| C28A—H28A | 0.9800 | C30B—H30D | 0.9800 |
| C28A—H28B | 0.9800 | C30B—H30E | 0.9800 |
| C28A—H28C | 0.9800 | C30B—H30F | 0.9800 |
| C29A—H29A | 0.9800 | C31B—H31D | 0.9800 |
| C29A—H29B | 0.9800 | C31B—H31E | 0.9800 |
| C29A—H29C | 0.9800 | C31B—H31F | 0.9800 |
| C30A—H30A | 0.9800 | C32B—H32D | 0.9800 |
| C30A—H30B | 0.9800 | C32B—H32E | 0.9800 |
| C30A—H30C | 0.9800 | C32B—H32F | 0.9800 |
| C31A—H31A | 0.9800 | Cl1C—C1C | 1.738 (3) |
| C31A—H31B | 0.9800 | C1C—Cl2C | 1.738 (3) |
| C31A—H31C | 0.9800 | C1C—H1C1 | 0.9900 |
| C32A—H32A | 0.9800 | C1C—H1C2 | 0.9900 |
| C32A—H32B | 0.9800 | Cl1D—C1D | 1.739 (3) |
| C32A—H32C | 0.9800 | C1D—Cl2D | 1.737 (4) |
| Ru1B—N1B | 2.052 (4) | C1D—H1D1 | 0.9900 |
| Ru1B—N2B | 2.092 (4) | C1D—H1D2 | 0.9900 |
| Ru1B—N3B | 2.149 (4) | Cl1E—C1E | 1.738 (4) |
| Ru1B—S1B | 2.2324 (14) | C1E—Cl2E | 1.738 (4) |
| Ru1B—Cl2B | 2.4220 (13) | C1E—H1E1 | 0.9900 |
| Ru1B—Cl1B | 2.4320 (13) | C1E—H1E2 | 0.9900 |
| N1A—Ru1A—N2A | 96.38 (15) | S1B—Ru1B—Cl2B | 89.29 (5) |
| N1A—Ru1A—N3A | 77.42 (14) | N1B—Ru1B—Cl1B | 175.87 (12) |
| N2A—Ru1A—N3A | 79.17 (14) | N2B—Ru1B—Cl1B | 84.96 (11) |
| N1A—Ru1A—S1A | 88.67 (11) | N3B—Ru1B—Cl1B | 97.72 (11) |
| N2A—Ru1A—S1A | 174.29 (10) | S1B—Ru1B—Cl1B | 89.06 (5) |
| N3A—Ru1A—S1A | 99.43 (11) | Cl2B—Ru1B—Cl1B | 90.20 (5) |
| N1A—Ru1A—Cl2A | 94.58 (11) | O2B—S1B—C32B | 106.0 (2) |
| N2A—Ru1A—Cl2A | 93.85 (10) | O2B—S1B—C31B | 105.7 (2) |
| N3A—Ru1A—Cl2A | 168.59 (11) | C32B—S1B—C31B | 97.9 (2) |
| S1A—Ru1A—Cl2A | 88.38 (5) | O2B—S1B—Ru1B | 118.80 (14) |
| N1A—Ru1A—Cl1A | 176.16 (11) | C32B—S1B—Ru1B | 112.96 (18) |
| N2A—Ru1A—Cl1A | 84.67 (10) | C31B—S1B—Ru1B | 113.15 (18) |
| N3A—Ru1A—Cl1A | 99.19 (10) | O1B—Si1B—C30B | 112.1 (2) |
| S1A—Ru1A—Cl1A | 90.12 (4) | O1B—Si1B—C28B | 107.8 (2) |
| Cl2A—Ru1A—Cl1A | 89.03 (4) | C30B—Si1B—C28B | 110.0 (3) |
| O2A—S1A—C32A | 105.4 (2) | O1B—Si1B—C29B | 107.9 (2) |
| O2A—S1A—C31A | 106.6 (2) | C30B—Si1B—C29B | 104.9 (3) |
| C32A—S1A—C31A | 98.9 (2) | C28B—Si1B—C29B | 114.1 (3) |
| O2A—S1A—Ru1A | 118.72 (15) | C15B—O1B—Si1B | 130.3 (3) |
| C32A—S1A—Ru1A | 113.44 (16) | C1B—N1B—C5B | 118.4 (4) |
| C31A—S1A—Ru1A | 111.64 (17) | C1B—N1B—Ru1B | 126.7 (3) |
| O1A—Si1A—C30A | 112.6 (2) | C5B—N1B—Ru1B | 114.7 (3) |
| O1A—Si1A—C28A | 108.5 (2) | C12B—N2B—C8B | 118.5 (4) |
| C30A—Si1A—C28A | 108.7 (3) | C12B—N2B—Ru1B | 125.0 (3) |
| O1A—Si1A—C29A | 106.6 (2) | C8B—N2B—Ru1B | 115.6 (3) |
| C30A—Si1A—C29A | 105.4 (3) | C6B—N3B—C7B | 108.0 (3) |
| C28A—Si1A—C29A | 115.1 (3) | C6B—N3B—C13B | 112.2 (4) |
| C15A—O1A—Si1A | 129.6 (3) | C7B—N3B—C13B | 111.2 (3) |
| C1A—N1A—C5A | 118.2 (4) | C6B—N3B—Ru1B | 104.3 (3) |
| C1A—N1A—Ru1A | 127.2 (3) | C7B—N3B—Ru1B | 107.8 (3) |
| C5A—N1A—Ru1A | 114.2 (3) | C13B—N3B—Ru1B | 113.0 (3) |
| C8A—N2A—C12A | 118.9 (4) | N1B—C1B—C2B | 122.2 (5) |
| C8A—N2A—Ru1A | 115.5 (3) | N1B—C1B—H1BA | 118.9 |
| C12A—N2A—Ru1A | 123.8 (3) | C2B—C1B—H1BA | 118.9 |
| C6A—N3A—C13A | 112.6 (3) | C3B—C2B—C1B | 119.1 (5) |
| C6A—N3A—C7A | 107.0 (3) | C3B—C2B—H2BB | 120.4 |
| C13A—N3A—C7A | 110.8 (4) | C1B—C2B—H2BB | 120.4 |
| C6A—N3A—Ru1A | 105.0 (3) | C2B—C3B—C4B | 119.1 (5) |
| C13A—N3A—Ru1A | 113.8 (3) | C2B—C3B—H3BA | 120.5 |
| C7A—N3A—Ru1A | 107.1 (3) | C4B—C3B—H3BA | 120.5 |
| N1A—C1A—C2A | 122.3 (5) | C5B—C4B—C3B | 119.0 (5) |
| N1A—C1A—H1AA | 118.8 | C5B—C4B—H4BA | 120.5 |
| C2A—C1A—H1AA | 118.8 | C3B—C4B—H4BA | 120.5 |
| C3A—C2A—C1A | 120.6 (5) | N1B—C5B—C4B | 122.2 (5) |
| C3A—C2A—H2AB | 119.7 | N1B—C5B—C6B | 115.0 (4) |
| C1A—C2A—H2AB | 119.7 | C4B—C5B—C6B | 122.8 (5) |
| C2A—C3A—C4A | 118.5 (5) | N3B—C6B—C5B | 109.1 (4) |
| C2A—C3A—H3AA | 120.8 | N3B—C6B—H6BA | 109.9 |
| C4A—C3A—H3AA | 120.8 | C5B—C6B—H6BA | 109.9 |
| C3A—C4A—C5A | 119.2 (5) | N3B—C6B—H6BB | 109.9 |
| C3A—C4A—H4AA | 120.4 | C5B—C6B—H6BB | 109.9 |
| C5A—C4A—H4AA | 120.4 | H6BA—C6B—H6BB | 108.3 |
| N1A—C5A—C4A | 121.1 (4) | C8B—C7B—N3B | 112.6 (4) |
| N1A—C5A—C6A | 115.5 (4) | C8B—C7B—H7BA | 109.1 |
| C4A—C5A—C6A | 123.4 (4) | N3B—C7B—H7BA | 109.1 |
| N3A—C6A—C5A | 107.8 (3) | C8B—C7B—H7BB | 109.1 |
| N3A—C6A—H6AA | 110.1 | N3B—C7B—H7BB | 109.1 |
| C5A—C6A—H6AA | 110.1 | H7BA—C7B—H7BB | 107.8 |
| N3A—C6A—H6AB | 110.1 | N2B—C8B—C9B | 121.7 (5) |
| C5A—C6A—H6AB | 110.1 | N2B—C8B—C7B | 115.1 (4) |
| H6AA—C6A—H6AB | 108.5 | C9B—C8B—C7B | 123.1 (4) |
| C8A—C7A—N3A | 109.6 (4) | C8B—C9B—C10B | 119.2 (5) |
| C8A—C7A—H7AA | 109.8 | C8B—C9B—H9BA | 120.4 |
| N3A—C7A—H7AA | 109.8 | C10B—C9B—H9BA | 120.4 |
| C8A—C7A—H7AB | 109.8 | C11B—C10B—C9B | 119.1 (5) |
| N3A—C7A—H7AB | 109.8 | C11B—C10B—H10B | 120.4 |
| H7AA—C7A—H7AB | 108.2 | C9B—C10B—H10B | 120.4 |
| N2A—C8A—C9A | 122.1 (4) | C12B—C11B—C10B | 118.4 (5) |
| N2A—C8A—C7A | 115.4 (4) | C12B—C11B—H11A | 120.8 |
| C9A—C8A—C7A | 122.5 (4) | C10B—C11B—H11A | 120.8 |
| C10A—C9A—C8A | 119.1 (5) | N2B—C12B—C11B | 123.0 (5) |
| C10A—C9A—H9AA | 120.5 | N2B—C12B—H12A | 118.5 |
| C8A—C9A—H9AA | 120.5 | C11B—C12B—H12A | 118.5 |
| C9A—C10A—C11A | 118.9 (5) | C14B—C13B—N3B | 115.2 (4) |
| C9A—C10A—H10A | 120.5 | C14B—C13B—H13C | 108.5 |
| C11A—C10A—H10A | 120.5 | N3B—C13B—H13C | 108.5 |
| C12A—C11A—C10A | 119.0 (4) | C14B—C13B—H13D | 108.5 |
| C12A—C11A—H11B | 120.5 | N3B—C13B—H13D | 108.5 |
| C10A—C11A—H11B | 120.5 | H13C—C13B—H13D | 107.5 |
| N2A—C12A—C11A | 122.0 (5) | C19B—C14B—C15B | 118.8 (5) |
| N2A—C12A—H12B | 119.0 | C19B—C14B—C13B | 116.8 (4) |
| C11A—C12A—H12B | 119.0 | C15B—C14B—C13B | 124.4 (5) |
| N3A—C13A—C14A | 115.2 (4) | O1B—C15B—C14B | 118.4 (4) |
| N3A—C13A—H13A | 108.5 | O1B—C15B—C16B | 121.6 (4) |
| C14A—C13A—H13A | 108.5 | C14B—C15B—C16B | 120.0 (5) |
| N3A—C13A—H13B | 108.5 | C17B—C16B—C15B | 116.9 (5) |
| C14A—C13A—H13B | 108.5 | C17B—C16B—C24B | 119.9 (5) |
| H13A—C13A—H13B | 107.5 | C15B—C16B—C24B | 123.1 (5) |
| C19A—C14A—C15A | 119.2 (4) | C16B—C17B—C18B | 124.7 (5) |
| C19A—C14A—C13A | 118.1 (4) | C16B—C17B—H17B | 117.7 |
| C15A—C14A—C13A | 122.7 (4) | C18B—C17B—H17B | 117.7 |
| O1A—C15A—C16A | 121.4 (4) | C19B—C18B—C17B | 116.1 (5) |
| O1A—C15A—C14A | 118.0 (4) | C19B—C18B—C20B | 119.9 (5) |
| C16A—C15A—C14A | 120.6 (4) | C17B—C18B—C20B | 123.8 (5) |
| C15A—C16A—C17A | 116.3 (5) | C18B—C19B—C14B | 123.1 (5) |
| C15A—C16A—C24A | 123.8 (4) | C18B—C19B—H19B | 118.4 |
| C17A—C16A—C24A | 119.8 (4) | C14B—C19B—H19B | 118.4 |
| C18A—C17A—C16A | 124.7 (5) | C21B—C20B—C22B | 109.9 (6) |
| C18A—C17A—H17A | 117.6 | C21B—C20B—C23B | 106.7 (5) |
| C16A—C17A—H17A | 117.6 | C22B—C20B—C23B | 108.2 (6) |
| C17A—C18A—C19A | 116.7 (5) | C21B—C20B—C18B | 112.9 (5) |
| C17A—C18A—C20A | 123.5 (5) | C22B—C20B—C18B | 109.0 (5) |
| C19A—C18A—C20A | 119.8 (5) | C23B—C20B—C18B | 110.1 (5) |
| C18A—C19A—C14A | 121.6 (5) | C20B—C21B—H21D | 109.5 |
| C18A—C19A—H19A | 119.2 | C20B—C21B—H21E | 109.5 |
| C14A—C19A—H19A | 119.2 | H21D—C21B—H21E | 109.5 |
| C22A—C20A—C18A | 110.3 (5) | C20B—C21B—H21F | 109.5 |
| C22A—C20A—C23A | 109.0 (5) | H21D—C21B—H21F | 109.5 |
| C18A—C20A—C23A | 112.6 (5) | H21E—C21B—H21F | 109.5 |
| C22A—C20A—C21A | 108.9 (6) | C20B—C22B—H22D | 109.5 |
| C18A—C20A—C21A | 108.9 (5) | C20B—C22B—H22E | 109.5 |
| C23A—C20A—C21A | 107.0 (5) | H22D—C22B—H22E | 109.5 |
| C20A—C21A—H21A | 109.5 | C20B—C22B—H22F | 109.5 |
| C20A—C21A—H21B | 109.5 | H22D—C22B—H22F | 109.5 |
| H21A—C21A—H21B | 109.5 | H22E—C22B—H22F | 109.5 |
| C20A—C21A—H21C | 109.5 | C20B—C23B—H23D | 109.5 |
| H21A—C21A—H21C | 109.5 | C20B—C23B—H23E | 109.5 |
| H21B—C21A—H21C | 109.5 | H23D—C23B—H23E | 109.5 |
| C20A—C22A—H22A | 109.5 | C20B—C23B—H23F | 109.5 |
| C20A—C22A—H22B | 109.5 | H23D—C23B—H23F | 109.5 |
| H22A—C22A—H22B | 109.5 | H23E—C23B—H23F | 109.5 |
| C20A—C22A—H22C | 109.5 | C26B—C24B—C27B | 110.5 (5) |
| H22A—C22A—H22C | 109.5 | C26B—C24B—C25B | 107.5 (4) |
| H22B—C22A—H22C | 109.5 | C27B—C24B—C25B | 106.8 (5) |
| C20A—C23A—H23A | 109.5 | C26B—C24B—C16B | 111.5 (4) |
| C20A—C23A—H23B | 109.5 | C27B—C24B—C16B | 109.1 (4) |
| H23A—C23A—H23B | 109.5 | C25B—C24B—C16B | 111.3 (5) |
| C20A—C23A—H23C | 109.5 | C24B—C25B—H25D | 109.5 |
| H23A—C23A—H23C | 109.5 | C24B—C25B—H25E | 109.5 |
| H23B—C23A—H23C | 109.5 | H25D—C25B—H25E | 109.5 |
| C26A—C24A—C27A | 109.8 (4) | C24B—C25B—H25F | 109.5 |
| C26A—C24A—C16A | 111.3 (4) | H25D—C25B—H25F | 109.5 |
| C27A—C24A—C16A | 109.8 (4) | H25E—C25B—H25F | 109.5 |
| C26A—C24A—C25A | 106.6 (5) | C24B—C26B—H26D | 109.5 |
| C27A—C24A—C25A | 106.6 (4) | C24B—C26B—H26E | 109.5 |
| C16A—C24A—C25A | 112.6 (4) | H26D—C26B—H26E | 109.5 |
| C24A—C25A—H25A | 109.5 | C24B—C26B—H26F | 109.5 |
| C24A—C25A—H25B | 109.5 | H26D—C26B—H26F | 109.5 |
| H25A—C25A—H25B | 109.5 | H26E—C26B—H26F | 109.5 |
| C24A—C25A—H25C | 109.5 | C24B—C27B—H27D | 109.5 |
| H25A—C25A—H25C | 109.5 | C24B—C27B—H27E | 109.5 |
| H25B—C25A—H25C | 109.5 | H27D—C27B—H27E | 109.5 |
| C24A—C26A—H26A | 109.5 | C24B—C27B—H27F | 109.5 |
| C24A—C26A—H26B | 109.5 | H27D—C27B—H27F | 109.5 |
| H26A—C26A—H26B | 109.5 | H27E—C27B—H27F | 109.5 |
| C24A—C26A—H26C | 109.5 | Si1B—C28B—H28D | 109.5 |
| H26A—C26A—H26C | 109.5 | Si1B—C28B—H28E | 109.5 |
| H26B—C26A—H26C | 109.5 | H28D—C28B—H28E | 109.5 |
| C24A—C27A—H27A | 109.5 | Si1B—C28B—H28F | 109.5 |
| C24A—C27A—H27B | 109.5 | H28D—C28B—H28F | 109.5 |
| H27A—C27A—H27B | 109.5 | H28E—C28B—H28F | 109.5 |
| C24A—C27A—H27C | 109.5 | Si1B—C29B—H29D | 109.5 |
| H27A—C27A—H27C | 109.5 | Si1B—C29B—H29E | 109.5 |
| H27B—C27A—H27C | 109.5 | H29D—C29B—H29E | 109.5 |
| Si1A—C28A—H28A | 109.5 | Si1B—C29B—H29F | 109.5 |
| Si1A—C28A—H28B | 109.5 | H29D—C29B—H29F | 109.5 |
| H28A—C28A—H28B | 109.5 | H29E—C29B—H29F | 109.5 |
| Si1A—C28A—H28C | 109.5 | Si1B—C30B—H30D | 109.5 |
| H28A—C28A—H28C | 109.5 | Si1B—C30B—H30E | 109.5 |
| H28B—C28A—H28C | 109.5 | H30D—C30B—H30E | 109.5 |
| Si1A—C29A—H29A | 109.5 | Si1B—C30B—H30F | 109.5 |
| Si1A—C29A—H29B | 109.5 | H30D—C30B—H30F | 109.5 |
| H29A—C29A—H29B | 109.5 | H30E—C30B—H30F | 109.5 |
| Si1A—C29A—H29C | 109.5 | S1B—C31B—H31D | 109.5 |
| H29A—C29A—H29C | 109.5 | S1B—C31B—H31E | 109.5 |
| H29B—C29A—H29C | 109.5 | H31D—C31B—H31E | 109.5 |
| Si1A—C30A—H30A | 109.5 | S1B—C31B—H31F | 109.5 |
| Si1A—C30A—H30B | 109.5 | H31D—C31B—H31F | 109.5 |
| H30A—C30A—H30B | 109.5 | H31E—C31B—H31F | 109.5 |
| Si1A—C30A—H30C | 109.5 | S1B—C32B—H32D | 109.5 |
| H30A—C30A—H30C | 109.5 | S1B—C32B—H32E | 109.5 |
| H30B—C30A—H30C | 109.5 | H32D—C32B—H32E | 109.5 |
| S1A—C31A—H31A | 109.5 | S1B—C32B—H32F | 109.5 |
| S1A—C31A—H31B | 109.5 | H32D—C32B—H32F | 109.5 |
| H31A—C31A—H31B | 109.5 | H32E—C32B—H32F | 109.5 |
| S1A—C31A—H31C | 109.5 | Cl2C—C1C—Cl1C | 113.6 (3) |
| H31A—C31A—H31C | 109.5 | Cl2C—C1C—H1C1 | 108.9 |
| H31B—C31A—H31C | 109.5 | Cl1C—C1C—H1C1 | 108.9 |
| S1A—C32A—H32A | 109.5 | Cl2C—C1C—H1C2 | 108.9 |
| S1A—C32A—H32B | 109.5 | Cl1C—C1C—H1C2 | 108.9 |
| H32A—C32A—H32B | 109.5 | H1C1—C1C—H1C2 | 107.7 |
| S1A—C32A—H32C | 109.5 | Cl2D—C1D—Cl1D | 114.3 (4) |
| H32A—C32A—H32C | 109.5 | Cl2D—C1D—H1D1 | 108.7 |
| H32B—C32A—H32C | 109.5 | Cl1D—C1D—H1D1 | 108.7 |
| N1B—Ru1B—N2B | 95.09 (15) | Cl2D—C1D—H1D2 | 108.7 |
| N1B—Ru1B—N3B | 78.23 (15) | Cl1D—C1D—H1D2 | 108.7 |
| N2B—Ru1B—N3B | 80.17 (15) | H1D1—C1D—H1D2 | 107.6 |
| N1B—Ru1B—S1B | 90.67 (11) | Cl2E—C1E—Cl1E | 114.2 (5) |
| N2B—Ru1B—S1B | 173.35 (11) | Cl2E—C1E—H1E1 | 108.7 |
| N3B—Ru1B—S1B | 97.80 (10) | Cl1E—C1E—H1E1 | 108.7 |
| N1B—Ru1B—Cl2B | 93.91 (12) | Cl2E—C1E—H1E2 | 108.7 |
| N2B—Ru1B—Cl2B | 93.62 (12) | Cl1E—C1E—H1E2 | 108.7 |
| N3B—Ru1B—Cl2B | 169.41 (10) | H1E1—C1E—H1E2 | 107.6 |
| N1A—Ru1A—S1A—O2A | 90.25 (19) | N1B—Ru1B—S1B—O2B | −93.0 (2) |
| N2A—Ru1A—S1A—O2A | −62.1 (11) | N2B—Ru1B—S1B—O2B | 57.0 (10) |
| N3A—Ru1A—S1A—O2A | 13.23 (18) | N3B—Ru1B—S1B—O2B | −14.8 (2) |
| Cl2A—Ru1A—S1A—O2A | −175.14 (16) | Cl2B—Ru1B—S1B—O2B | 173.09 (17) |
| Cl1A—Ru1A—S1A—O2A | −86.11 (16) | Cl1B—Ru1B—S1B—O2B | 82.88 (17) |
| N1A—Ru1A—S1A—C32A | −145.1 (2) | N1B—Ru1B—S1B—C32B | 141.9 (2) |
| N2A—Ru1A—S1A—C32A | 62.6 (11) | N2B—Ru1B—S1B—C32B | −68.0 (10) |
| N3A—Ru1A—S1A—C32A | 137.9 (2) | N3B—Ru1B—S1B—C32B | −139.8 (2) |
| Cl2A—Ru1A—S1A—C32A | −50.49 (19) | Cl2B—Ru1B—S1B—C32B | 48.03 (19) |
| Cl1A—Ru1A—S1A—C32A | 38.54 (19) | Cl1B—Ru1B—S1B—C32B | −42.18 (19) |
| N1A—Ru1A—S1A—C31A | −34.4 (2) | N1B—Ru1B—S1B—C31B | 31.8 (2) |
| N2A—Ru1A—S1A—C31A | 173.2 (11) | N2B—Ru1B—S1B—C31B | −178.2 (10) |
| N3A—Ru1A—S1A—C31A | −111.4 (2) | N3B—Ru1B—S1B—C31B | 110.0 (2) |
| Cl2A—Ru1A—S1A—C31A | 60.20 (19) | Cl2B—Ru1B—S1B—C31B | −62.1 (2) |
| Cl1A—Ru1A—S1A—C31A | 149.22 (19) | Cl1B—Ru1B—S1B—C31B | −152.3 (2) |
| C30A—Si1A—O1A—C15A | −110.8 (4) | C30B—Si1B—O1B—C15B | 115.5 (4) |
| C28A—Si1A—O1A—C15A | 9.6 (5) | C28B—Si1B—O1B—C15B | −5.7 (5) |
| C29A—Si1A—O1A—C15A | 134.1 (4) | C29B—Si1B—O1B—C15B | −129.4 (4) |
| N2A—Ru1A—N1A—C1A | −83.3 (4) | N2B—Ru1B—N1B—C1B | 82.5 (4) |
| N3A—Ru1A—N1A—C1A | −160.7 (4) | N3B—Ru1B—N1B—C1B | 161.4 (4) |
| S1A—Ru1A—N1A—C1A | 99.3 (4) | S1B—Ru1B—N1B—C1B | −100.8 (4) |
| Cl2A—Ru1A—N1A—C1A | 11.1 (4) | Cl2B—Ru1B—N1B—C1B | −11.5 (4) |
| Cl1A—Ru1A—N1A—C1A | 170.9 (14) | Cl1B—Ru1B—N1B—C1B | 172.9 (13) |
| N2A—Ru1A—N1A—C5A | 104.0 (3) | N2B—Ru1B—N1B—C5B | −102.7 (3) |
| N3A—Ru1A—N1A—C5A | 26.6 (3) | N3B—Ru1B—N1B—C5B | −23.8 (3) |
| S1A—Ru1A—N1A—C5A | −73.4 (3) | S1B—Ru1B—N1B—C5B | 74.0 (3) |
| Cl2A—Ru1A—N1A—C5A | −161.6 (3) | Cl2B—Ru1B—N1B—C5B | 163.3 (3) |
| Cl1A—Ru1A—N1A—C5A | −1.8 (19) | Cl1B—Ru1B—N1B—C5B | −12.3 (17) |
| N1A—Ru1A—N2A—C8A | −70.1 (3) | N1B—Ru1B—N2B—C12B | −118.2 (4) |
| N3A—Ru1A—N2A—C8A | 5.8 (3) | N3B—Ru1B—N2B—C12B | 164.7 (4) |
| S1A—Ru1A—N2A—C8A | 82.1 (12) | S1B—Ru1B—N2B—C12B | 91.9 (11) |
| Cl2A—Ru1A—N2A—C8A | −165.1 (3) | Cl2B—Ru1B—N2B—C12B | −23.9 (4) |
| Cl1A—Ru1A—N2A—C8A | 106.2 (3) | Cl1B—Ru1B—N2B—C12B | 65.9 (4) |
| N1A—Ru1A—N2A—C12A | 125.4 (4) | N1B—Ru1B—N2B—C8B | 73.1 (3) |
| N3A—Ru1A—N2A—C12A | −158.7 (4) | N3B—Ru1B—N2B—C8B | −4.0 (3) |
| S1A—Ru1A—N2A—C12A | −82.4 (12) | S1B—Ru1B—N2B—C8B | −76.8 (11) |
| Cl2A—Ru1A—N2A—C12A | 30.4 (3) | Cl2B—Ru1B—N2B—C8B | 167.4 (3) |
| Cl1A—Ru1A—N2A—C12A | −58.3 (3) | Cl1B—Ru1B—N2B—C8B | −102.7 (3) |
| N1A—Ru1A—N3A—C6A | −38.5 (3) | N1B—Ru1B—N3B—C6B | 36.4 (3) |
| N2A—Ru1A—N3A—C6A | −137.6 (3) | N2B—Ru1B—N3B—C6B | 133.8 (3) |
| S1A—Ru1A—N3A—C6A | 48.0 (3) | S1B—Ru1B—N3B—C6B | −52.6 (3) |
| Cl2A—Ru1A—N3A—C6A | −84.7 (6) | Cl2B—Ru1B—N3B—C6B | 79.1 (7) |
| Cl1A—Ru1A—N3A—C6A | 139.7 (3) | Cl1B—Ru1B—N3B—C6B | −142.7 (2) |
| N1A—Ru1A—N3A—C13A | −162.1 (3) | N1B—Ru1B—N3B—C7B | −78.2 (3) |
| N2A—Ru1A—N3A—C13A | 98.7 (3) | N2B—Ru1B—N3B—C7B | 19.1 (3) |
| S1A—Ru1A—N3A—C13A | −75.6 (3) | S1B—Ru1B—N3B—C7B | −167.3 (3) |
| Cl2A—Ru1A—N3A—C13A | 151.7 (4) | Cl2B—Ru1B—N3B—C7B | −35.5 (8) |
| Cl1A—Ru1A—N3A—C13A | 16.0 (3) | Cl1B—Ru1B—N3B—C7B | 102.6 (3) |
| N1A—Ru1A—N3A—C7A | 75.0 (3) | N1B—Ru1B—N3B—C13B | 158.6 (3) |
| N2A—Ru1A—N3A—C7A | −24.1 (3) | N2B—Ru1B—N3B—C13B | −104.1 (3) |
| S1A—Ru1A—N3A—C7A | 161.5 (2) | S1B—Ru1B—N3B—C13B | 69.5 (3) |
| Cl2A—Ru1A—N3A—C7A | 28.9 (7) | Cl2B—Ru1B—N3B—C13B | −158.8 (5) |
| Cl1A—Ru1A—N3A—C7A | −106.8 (2) | Cl1B—Ru1B—N3B—C13B | −20.6 (3) |
| C5A—N1A—C1A—C2A | 2.0 (8) | C5B—N1B—C1B—C2B | −2.7 (7) |
| Ru1A—N1A—C1A—C2A | −170.5 (4) | Ru1B—N1B—C1B—C2B | 171.9 (3) |
| N1A—C1A—C2A—C3A | 0.2 (9) | N1B—C1B—C2B—C3B | 1.2 (7) |
| C1A—C2A—C3A—C4A | −2.4 (9) | C1B—C2B—C3B—C4B | 1.0 (7) |
| C2A—C3A—C4A—C5A | 2.5 (8) | C2B—C3B—C4B—C5B | −1.5 (7) |
| C1A—N1A—C5A—C4A | −1.9 (7) | C1B—N1B—C5B—C4B | 2.2 (6) |
| Ru1A—N1A—C5A—C4A | 171.5 (4) | Ru1B—N1B—C5B—C4B | −173.1 (3) |
| C1A—N1A—C5A—C6A | 178.4 (4) | C1B—N1B—C5B—C6B | −179.9 (4) |
| Ru1A—N1A—C5A—C6A | −8.2 (5) | Ru1B—N1B—C5B—C6B | 4.8 (5) |
| C3A—C4A—C5A—N1A | −0.3 (8) | C3B—C4B—C5B—N1B | −0.1 (7) |
| C3A—C4A—C5A—C6A | 179.4 (5) | C3B—C4B—C5B—C6B | −177.8 (4) |
| C13A—N3A—C6A—C5A | 168.6 (4) | C7B—N3B—C6B—C5B | 70.7 (4) |
| C7A—N3A—C6A—C5A | −69.5 (5) | C13B—N3B—C6B—C5B | −166.4 (3) |
| Ru1A—N3A—C6A—C5A | 44.1 (4) | Ru1B—N3B—C6B—C5B | −43.8 (4) |
| N1A—C5A—C6A—N3A | −25.5 (6) | N1B—C5B—C6B—N3B | 27.7 (5) |
| C4A—C5A—C6A—N3A | 154.8 (5) | C4B—C5B—C6B—N3B | −154.4 (4) |
| C6A—N3A—C7A—C8A | 150.5 (4) | C6B—N3B—C7B—C8B | −143.7 (4) |
| C13A—N3A—C7A—C8A | −86.4 (4) | C13B—N3B—C7B—C8B | 92.8 (5) |
| Ru1A—N3A—C7A—C8A | 38.3 (4) | Ru1B—N3B—C7B—C8B | −31.5 (4) |
| C12A—N2A—C8A—C9A | −1.1 (7) | C12B—N2B—C8B—C9B | 0.6 (7) |
| Ru1A—N2A—C8A—C9A | −166.4 (3) | Ru1B—N2B—C8B—C9B | 170.0 (4) |
| C12A—N2A—C8A—C7A | −179.4 (4) | C12B—N2B—C8B—C7B | 177.4 (4) |
| Ru1A—N2A—C8A—C7A | 15.3 (5) | Ru1B—N2B—C8B—C7B | −13.1 (5) |
| N3A—C7A—C8A—N2A | −36.5 (5) | N3B—C7B—C8B—N2B | 30.5 (6) |
| N3A—C7A—C8A—C9A | 145.2 (4) | N3B—C7B—C8B—C9B | −152.7 (4) |
| N2A—C8A—C9A—C10A | 0.6 (7) | N2B—C8B—C9B—C10B | 0.3 (7) |
| C7A—C8A—C9A—C10A | 178.8 (4) | C7B—C8B—C9B—C10B | −176.3 (5) |
| C8A—C9A—C10A—C11A | 0.3 (7) | C8B—C9B—C10B—C11B | −1.2 (8) |
| C9A—C10A—C11A—C12A | −0.6 (7) | C9B—C10B—C11B—C12B | 1.2 (8) |
| C8A—N2A—C12A—C11A | 0.8 (7) | C8B—N2B—C12B—C11B | −0.6 (7) |
| Ru1A—N2A—C12A—C11A | 164.8 (3) | Ru1B—N2B—C12B—C11B | −169.0 (4) |
| C10A—C11A—C12A—N2A | 0.0 (7) | C10B—C11B—C12B—N2B | −0.3 (8) |
| C6A—N3A—C13A—C14A | 59.5 (5) | C6B—N3B—C13B—C14B | −53.5 (5) |
| C7A—N3A—C13A—C14A | −60.2 (5) | C7B—N3B—C13B—C14B | 67.6 (5) |
| Ru1A—N3A—C13A—C14A | 179.0 (3) | Ru1B—N3B—C13B—C14B | −171.1 (3) |
| N3A—C13A—C14A—C19A | −90.4 (5) | N3B—C13B—C14B—C19B | 84.7 (5) |
| N3A—C13A—C14A—C15A | 87.5 (5) | N3B—C13B—C14B—C15B | −94.8 (6) |
| Si1A—O1A—C15A—C16A | −97.0 (5) | Si1B—O1B—C15B—C14B | −79.7 (6) |
| Si1A—O1A—C15A—C14A | 84.5 (5) | Si1B—O1B—C15B—C16B | 102.6 (5) |
| C19A—C14A—C15A—O1A | −172.9 (4) | C19B—C14B—C15B—O1B | 174.8 (4) |
| C13A—C14A—C15A—O1A | 9.2 (7) | C13B—C14B—C15B—O1B | −5.7 (7) |
| C19A—C14A—C15A—C16A | 8.5 (7) | C19B—C14B—C15B—C16B | −7.4 (7) |
| C13A—C14A—C15A—C16A | −169.4 (4) | C13B—C14B—C15B—C16B | 172.0 (4) |
| O1A—C15A—C16A—C17A | 173.0 (4) | O1B—C15B—C16B—C17B | −176.8 (4) |
| C14A—C15A—C16A—C17A | −8.5 (7) | C14B—C15B—C16B—C17B | 5.6 (7) |
| O1A—C15A—C16A—C24A | −9.7 (7) | O1B—C15B—C16B—C24B | 1.7 (7) |
| C14A—C15A—C16A—C24A | 168.8 (4) | C14B—C15B—C16B—C24B | −176.0 (4) |
| C15A—C16A—C17A—C18A | 1.3 (7) | C15B—C16B—C17B—C18B | −0.9 (8) |
| C24A—C16A—C17A—C18A | −176.1 (5) | C24B—C16B—C17B—C18B | −179.4 (5) |
| C16A—C17A—C18A—C19A | 5.7 (8) | C16B—C17B—C18B—C19B | −1.8 (8) |
| C16A—C17A—C18A—C20A | −177.3 (5) | C16B—C17B—C18B—C20B | −177.4 (5) |
| C17A—C18A—C19A—C14A | −5.7 (7) | C17B—C18B—C19B—C14B | −0.2 (8) |
| C20A—C18A—C19A—C14A | 177.1 (5) | C20B—C18B—C19B—C14B | 175.6 (5) |
| C15A—C14A—C19A—C18A | −1.1 (7) | C15B—C14B—C19B—C18B | 4.8 (8) |
| C13A—C14A—C19A—C18A | 176.9 (4) | C13B—C14B—C19B—C18B | −174.7 (4) |
| C17A—C18A—C20A—C22A | −115.9 (6) | C19B—C18B—C20B—C21B | 177.0 (5) |
| C19A—C18A—C20A—C22A | 61.1 (7) | C17B—C18B—C20B—C21B | −7.5 (8) |
| C17A—C18A—C20A—C23A | 6.1 (8) | C19B—C18B—C20B—C22B | −60.6 (7) |
| C19A—C18A—C20A—C23A | −176.9 (5) | C17B—C18B—C20B—C22B | 114.9 (6) |
| C17A—C18A—C20A—C21A | 124.6 (6) | C19B—C18B—C20B—C23B | 57.9 (7) |
| C19A—C18A—C20A—C21A | −58.4 (7) | C17B—C18B—C20B—C23B | −126.6 (6) |
| C15A—C16A—C24A—C26A | −42.8 (6) | C17B—C16B—C24B—C26B | −136.2 (5) |
| C17A—C16A—C24A—C26A | 134.5 (5) | C15B—C16B—C24B—C26B | 45.4 (7) |
| C15A—C16A—C24A—C27A | 79.0 (6) | C17B—C16B—C24B—C27B | 101.4 (6) |
| C17A—C16A—C24A—C27A | −103.8 (5) | C15B—C16B—C24B—C27B | −77.0 (6) |
| C15A—C16A—C24A—C25A | −162.4 (5) | C17B—C16B—C24B—C25B | −16.1 (7) |
| C17A—C16A—C24A—C25A | 14.8 (7) | C15B—C16B—C24B—C25B | 165.4 (5) |