Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806015005/sj2046sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806015005/sj2046Isup2.hkl |
CCDC reference: 608502
Key indicators
- Single-crystal X-ray study
- T = 173 K
- Mean (C-C) = 0.008 Å
- Disorder in solvent or counterion
- R factor = 0.071
- wR factor = 0.182
- Data-to-parameter ratio = 18.6
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97 PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT221_ALERT_4_C Large Solvent/Anion Cl Ueq(max)/Ueq(min) ... 3.45 Ratio PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C62A PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C62B PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C61 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.16 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 33.00 Perc.
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: COLLECT (Hooft, 1998); cell refinement: EVALCCD (Duisenberg et al., 2003); data reduction: EVALCCD; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII (Burnett & Johnson, 1996); software used to prepare material for publication: SHELXTL (Sheldrick, 2001) and CIFTAB (Sheldrick, 1993).
[RuCl2(C26H24P2)2]·2CH2Cl2 | F(000) = 2328 |
Mr = 1138.61 | Dx = 1.464 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 7370 reflections |
a = 17.054 (3) Å | θ = 2.5–27.5° |
b = 13.182 (3) Å | µ = 0.77 mm−1 |
c = 23.592 (5) Å | T = 173 K |
β = 103.05 (3)° | Block, yellow |
V = 5167 (2) Å3 | 0.20 × 0.15 × 0.15 mm |
Z = 4 |
Nonius KappaCCD diffractometer | 11446 independent reflections |
Radiation source: fine-focus sealed tube | 7242 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.100 |
φ and ω scans | θmax = 27.5°, θmin = 5.1° |
Absorption correction: multi-scan (SADABS; Sheldrick, 2003) | h = −22→18 |
Tmin = 0.861, Tmax = 0.893 | k = −16→15 |
29691 measured reflections | l = −30→30 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.071 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.182 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0675P)2] where P = (Fo2 + 2Fc2)/3 |
11446 reflections | (Δ/σ)max = 0.001 |
614 parameters | Δρmax = 1.19 e Å−3 |
43 restraints | Δρmin = −1.22 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of 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 > σ(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. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Ru1 | 0.36918 (2) | 0.50617 (3) | 0.171098 (15) | 0.01901 (13) | |
P1 | 0.32812 (8) | 0.37481 (10) | 0.10134 (5) | 0.0211 (3) | |
Cl1 | 0.47712 (7) | 0.39284 (10) | 0.22311 (5) | 0.0265 (3) | |
Cl2 | 0.27927 (7) | 0.42665 (10) | 0.22731 (5) | 0.0256 (3) | |
C2 | 0.2228 (3) | 0.3553 (4) | 0.0628 (2) | 0.0270 (12) | |
C3 | 0.1913 (3) | 0.4082 (5) | 0.0123 (2) | 0.0380 (15) | |
H3A | 0.2243 | 0.4539 | −0.0030 | 0.046* | |
C4 | 0.1105 (4) | 0.3943 (6) | −0.0164 (3) | 0.0537 (19) | |
H4A | 0.0886 | 0.4314 | −0.0509 | 0.064* | |
C5 | 0.0624 (4) | 0.3262 (6) | 0.0055 (3) | 0.0532 (18) | |
H5A | 0.0082 | 0.3153 | −0.0146 | 0.064* | |
C6 | 0.0934 (4) | 0.2750 (5) | 0.0563 (3) | 0.0445 (16) | |
H6A | 0.0601 | 0.2301 | 0.0718 | 0.053* | |
C7 | 0.1730 (3) | 0.2882 (4) | 0.0850 (2) | 0.0320 (13) | |
H7A | 0.1941 | 0.2518 | 0.1199 | 0.038* | |
C8 | 0.3514 (3) | 0.2407 (4) | 0.1229 (2) | 0.0250 (11) | |
C9 | 0.3583 (3) | 0.1696 (4) | 0.0792 (2) | 0.0339 (13) | |
H9A | 0.3559 | 0.1921 | 0.0406 | 0.041* | |
C10 | 0.3685 (4) | 0.0670 (5) | 0.0926 (3) | 0.0412 (15) | |
H10A | 0.3736 | 0.0201 | 0.0631 | 0.049* | |
C11 | 0.3712 (4) | 0.0324 (4) | 0.1482 (3) | 0.0371 (14) | |
H11A | 0.3776 | −0.0379 | 0.1568 | 0.045* | |
C12 | 0.3644 (3) | 0.1023 (4) | 0.1919 (2) | 0.0329 (13) | |
H12A | 0.3661 | 0.0792 | 0.2304 | 0.039* | |
C13 | 0.3552 (3) | 0.2056 (4) | 0.1788 (2) | 0.0262 (12) | |
H13A | 0.3515 | 0.2525 | 0.2087 | 0.031* | |
C14 | 0.3798 (3) | 0.3932 (4) | 0.04075 (19) | 0.0261 (12) | |
H14A | 0.4295 | 0.3518 | 0.0478 | 0.031* | |
H14B | 0.3442 | 0.3705 | 0.0038 | 0.031* | |
C15 | 0.4012 (3) | 0.5055 (4) | 0.0360 (2) | 0.0240 (11) | |
H15A | 0.3518 | 0.5441 | 0.0188 | 0.029* | |
H15B | 0.4388 | 0.5123 | 0.0098 | 0.029* | |
P16 | 0.44846 (8) | 0.55994 (10) | 0.10830 (5) | 0.0210 (3) | |
C17 | 0.4639 (3) | 0.6930 (4) | 0.0878 (2) | 0.0246 (11) | |
C18 | 0.4605 (3) | 0.7224 (4) | 0.0300 (2) | 0.0323 (13) | |
H18A | 0.4414 | 0.6754 | −0.0005 | 0.039* | |
C19 | 0.4845 (4) | 0.8187 (5) | 0.0162 (2) | 0.0399 (15) | |
H19A | 0.4806 | 0.8371 | −0.0233 | 0.048* | |
C20 | 0.5142 (4) | 0.8880 (5) | 0.0605 (2) | 0.0409 (15) | |
H20A | 0.5323 | 0.9529 | 0.0516 | 0.049* | |
C21 | 0.5169 (4) | 0.8607 (4) | 0.1178 (2) | 0.0356 (14) | |
H21A | 0.5354 | 0.9083 | 0.1481 | 0.043* | |
C22 | 0.4929 (3) | 0.7655 (4) | 0.1311 (2) | 0.0292 (12) | |
H22A | 0.4961 | 0.7485 | 0.1707 | 0.035* | |
C23 | 0.5541 (3) | 0.5169 (4) | 0.11597 (19) | 0.0249 (12) | |
C24 | 0.6173 (3) | 0.5843 (4) | 0.1139 (2) | 0.0274 (12) | |
H24A | 0.6068 | 0.6552 | 0.1120 | 0.033* | |
C25 | 0.6950 (3) | 0.5506 (5) | 0.1143 (2) | 0.0325 (13) | |
H25A | 0.7364 | 0.5983 | 0.1134 | 0.039* | |
C26 | 0.7119 (4) | 0.4474 (5) | 0.1161 (2) | 0.0372 (14) | |
H26A | 0.7643 | 0.4240 | 0.1154 | 0.045* | |
C27 | 0.6508 (3) | 0.3787 (5) | 0.1190 (2) | 0.0348 (14) | |
H27A | 0.6622 | 0.3081 | 0.1205 | 0.042* | |
C28 | 0.5741 (3) | 0.4112 (4) | 0.1197 (2) | 0.0293 (12) | |
H28A | 0.5340 | 0.3627 | 0.1228 | 0.035* | |
P31 | 0.40949 (8) | 0.60849 (11) | 0.25642 (5) | 0.0221 (3) | |
C32 | 0.4174 (3) | 0.5471 (4) | 0.32734 (19) | 0.0268 (12) | |
C33 | 0.4908 (4) | 0.5087 (5) | 0.3582 (2) | 0.0392 (15) | |
H33A | 0.5379 | 0.5159 | 0.3434 | 0.047* | |
C34 | 0.4942 (4) | 0.4590 (5) | 0.4118 (2) | 0.0521 (18) | |
H34A | 0.5442 | 0.4317 | 0.4323 | 0.063* | |
C35 | 0.4275 (4) | 0.4487 (5) | 0.4352 (3) | 0.0496 (18) | |
H35A | 0.4311 | 0.4148 | 0.4713 | 0.060* | |
C36 | 0.3563 (4) | 0.4883 (5) | 0.4054 (2) | 0.0415 (15) | |
H36A | 0.3101 | 0.4835 | 0.4215 | 0.050* | |
C37 | 0.3497 (4) | 0.5357 (4) | 0.3518 (2) | 0.0334 (13) | |
H37A | 0.2989 | 0.5608 | 0.3314 | 0.040* | |
C38 | 0.5045 (3) | 0.6794 (4) | 0.2689 (2) | 0.0278 (12) | |
C39 | 0.5118 (4) | 0.7811 (5) | 0.2875 (2) | 0.0381 (14) | |
H39A | 0.4667 | 0.8148 | 0.2962 | 0.046* | |
C40 | 0.5842 (4) | 0.8331 (5) | 0.2932 (3) | 0.0516 (18) | |
H40A | 0.5878 | 0.9022 | 0.3048 | 0.062* | |
C41 | 0.6510 (4) | 0.7842 (6) | 0.2820 (3) | 0.0522 (19) | |
H41A | 0.7004 | 0.8197 | 0.2862 | 0.063* | |
C42 | 0.6455 (4) | 0.6827 (5) | 0.2645 (2) | 0.0417 (16) | |
H42A | 0.6914 | 0.6491 | 0.2570 | 0.050* | |
C43 | 0.5732 (3) | 0.6308 (5) | 0.2581 (2) | 0.0336 (13) | |
H43A | 0.5700 | 0.5617 | 0.2462 | 0.040* | |
C44 | 0.3321 (3) | 0.7066 (4) | 0.2518 (2) | 0.0267 (12) | |
H44A | 0.2834 | 0.6778 | 0.2619 | 0.032* | |
H44B | 0.3524 | 0.7627 | 0.2791 | 0.032* | |
C45 | 0.3122 (3) | 0.7460 (4) | 0.18863 (19) | 0.0255 (12) | |
H45A | 0.3609 | 0.7747 | 0.1786 | 0.031* | |
H45B | 0.2706 | 0.7997 | 0.1839 | 0.031* | |
P46 | 0.27461 (8) | 0.63683 (10) | 0.14103 (5) | 0.0216 (3) | |
C47 | 0.1708 (3) | 0.6241 (4) | 0.15143 (19) | 0.0244 (11) | |
C48 | 0.1304 (3) | 0.5302 (4) | 0.1407 (2) | 0.0258 (12) | |
H48A | 0.1585 | 0.4719 | 0.1322 | 0.031* | |
C49 | 0.0501 (3) | 0.5224 (4) | 0.1424 (2) | 0.0312 (13) | |
H49A | 0.0234 | 0.4591 | 0.1342 | 0.037* | |
C50 | 0.0079 (3) | 0.6060 (5) | 0.1558 (2) | 0.0376 (14) | |
H50A | −0.0470 | 0.5993 | 0.1574 | 0.045* | |
C51 | 0.0466 (3) | 0.6997 (5) | 0.1670 (2) | 0.0352 (14) | |
H51A | 0.0183 | 0.7570 | 0.1765 | 0.042* | |
C52 | 0.1268 (3) | 0.7085 (4) | 0.1641 (2) | 0.0305 (13) | |
H52A | 0.1526 | 0.7727 | 0.1708 | 0.037* | |
C53 | 0.2472 (3) | 0.6981 (4) | 0.0678 (2) | 0.0253 (12) | |
C54 | 0.2844 (3) | 0.7845 (4) | 0.0532 (2) | 0.0327 (13) | |
H54A | 0.3276 | 0.8140 | 0.0809 | 0.039* | |
C55 | 0.2588 (4) | 0.8294 (5) | −0.0021 (2) | 0.0430 (16) | |
H55A | 0.2845 | 0.8892 | −0.0113 | 0.052* | |
C56 | 0.1973 (4) | 0.7874 (5) | −0.0429 (3) | 0.0460 (17) | |
H56A | 0.1810 | 0.8168 | −0.0805 | 0.055* | |
C57 | 0.1593 (4) | 0.7015 (5) | −0.0285 (2) | 0.0466 (17) | |
H57A | 0.1161 | 0.6725 | −0.0564 | 0.056* | |
C58 | 0.1830 (3) | 0.6570 (5) | 0.0259 (2) | 0.0353 (14) | |
H58A | 0.1557 | 0.5985 | 0.0349 | 0.042* | |
C61 | 0.9226 (5) | 0.6535 (6) | 0.2881 (3) | 0.069 (2) | |
H61A | 0.9744 | 0.6250 | 0.2831 | 0.083* | |
H61B | 0.9250 | 0.7282 | 0.2842 | 0.083* | |
Cl3 | 0.90924 (17) | 0.62320 (17) | 0.35642 (9) | 0.0951 (8) | |
Cl4 | 0.84392 (12) | 0.6054 (2) | 0.23400 (9) | 0.0910 (8) | |
C62A | 0.7653 (8) | 0.3532 (15) | 0.3482 (5) | 0.075 (5) | 0.552 (8) |
H62A | 0.8090 | 0.4004 | 0.3444 | 0.090* | 0.552 (8) |
H62B | 0.7814 | 0.2842 | 0.3387 | 0.090* | 0.552 (8) |
Cl5A | 0.6785 (3) | 0.3871 (4) | 0.2989 (2) | 0.091 (2) | 0.552 (8) |
Cl6A | 0.7548 (5) | 0.3549 (9) | 0.4195 (3) | 0.176 (4) | 0.552 (8) |
C62B | 0.678 (2) | 0.356 (2) | 0.3500 (11) | 0.191 (16) | 0.448 (8) |
H62C | 0.6219 | 0.3807 | 0.3385 | 0.230* | 0.448 (8) |
H62D | 0.6860 | 0.3037 | 0.3217 | 0.230* | 0.448 (8) |
Cl5B | 0.7425 (9) | 0.4536 (15) | 0.3495 (8) | 0.314 (11) | 0.448 (8) |
Cl6B | 0.6953 (9) | 0.3064 (10) | 0.4166 (5) | 0.199 (6) | 0.448 (8) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ru1 | 0.0188 (2) | 0.0195 (2) | 0.0192 (2) | 0.00052 (17) | 0.00520 (15) | 0.00045 (16) |
P1 | 0.0202 (7) | 0.0222 (8) | 0.0204 (6) | 0.0003 (6) | 0.0035 (5) | 0.0003 (5) |
Cl1 | 0.0248 (7) | 0.0246 (7) | 0.0293 (6) | 0.0026 (5) | 0.0047 (5) | 0.0040 (5) |
Cl2 | 0.0250 (7) | 0.0259 (7) | 0.0276 (6) | −0.0026 (5) | 0.0096 (5) | 0.0024 (5) |
C2 | 0.028 (3) | 0.025 (3) | 0.027 (3) | 0.001 (2) | 0.004 (2) | −0.010 (2) |
C3 | 0.028 (3) | 0.051 (4) | 0.032 (3) | 0.001 (3) | 0.001 (2) | 0.001 (3) |
C4 | 0.034 (4) | 0.074 (6) | 0.044 (4) | −0.007 (4) | −0.010 (3) | 0.009 (3) |
C5 | 0.023 (4) | 0.067 (5) | 0.062 (4) | −0.007 (3) | −0.007 (3) | −0.007 (4) |
C6 | 0.025 (3) | 0.043 (4) | 0.065 (4) | −0.011 (3) | 0.011 (3) | −0.007 (3) |
C7 | 0.026 (3) | 0.027 (3) | 0.040 (3) | −0.003 (2) | 0.002 (2) | −0.001 (2) |
C8 | 0.019 (3) | 0.022 (3) | 0.032 (3) | −0.002 (2) | 0.003 (2) | −0.007 (2) |
C9 | 0.044 (4) | 0.024 (3) | 0.035 (3) | 0.005 (3) | 0.012 (2) | 0.002 (2) |
C10 | 0.047 (4) | 0.026 (4) | 0.053 (4) | −0.001 (3) | 0.017 (3) | −0.012 (3) |
C11 | 0.041 (4) | 0.020 (3) | 0.051 (4) | 0.004 (3) | 0.011 (3) | 0.006 (3) |
C12 | 0.029 (3) | 0.032 (3) | 0.035 (3) | 0.000 (3) | 0.001 (2) | 0.008 (3) |
C13 | 0.023 (3) | 0.022 (3) | 0.031 (3) | −0.004 (2) | 0.003 (2) | −0.002 (2) |
C14 | 0.029 (3) | 0.031 (3) | 0.019 (2) | −0.003 (2) | 0.008 (2) | −0.003 (2) |
C15 | 0.024 (3) | 0.025 (3) | 0.024 (2) | −0.002 (2) | 0.008 (2) | 0.001 (2) |
P16 | 0.0220 (7) | 0.0208 (8) | 0.0210 (6) | 0.0005 (6) | 0.0064 (5) | 0.0003 (5) |
C17 | 0.024 (3) | 0.021 (3) | 0.031 (3) | 0.005 (2) | 0.009 (2) | −0.003 (2) |
C18 | 0.039 (4) | 0.030 (3) | 0.032 (3) | 0.002 (3) | 0.016 (2) | −0.002 (2) |
C19 | 0.051 (4) | 0.036 (4) | 0.037 (3) | 0.007 (3) | 0.018 (3) | 0.010 (3) |
C20 | 0.059 (4) | 0.022 (3) | 0.047 (4) | 0.000 (3) | 0.024 (3) | 0.010 (3) |
C21 | 0.043 (4) | 0.026 (3) | 0.041 (3) | −0.002 (3) | 0.015 (3) | −0.008 (3) |
C22 | 0.031 (3) | 0.027 (3) | 0.033 (3) | −0.001 (2) | 0.014 (2) | 0.004 (2) |
C23 | 0.029 (3) | 0.028 (3) | 0.020 (2) | −0.002 (2) | 0.008 (2) | −0.002 (2) |
C24 | 0.023 (3) | 0.030 (3) | 0.029 (3) | 0.000 (2) | 0.004 (2) | −0.001 (2) |
C25 | 0.024 (3) | 0.041 (4) | 0.031 (3) | −0.004 (3) | 0.004 (2) | 0.002 (3) |
C26 | 0.029 (3) | 0.049 (4) | 0.035 (3) | 0.011 (3) | 0.010 (2) | 0.007 (3) |
C27 | 0.038 (4) | 0.033 (4) | 0.035 (3) | 0.014 (3) | 0.011 (2) | 0.009 (3) |
C28 | 0.028 (3) | 0.033 (3) | 0.026 (3) | 0.002 (3) | 0.005 (2) | 0.004 (2) |
P31 | 0.0209 (7) | 0.0246 (8) | 0.0216 (6) | 0.0000 (6) | 0.0063 (5) | −0.0010 (5) |
C32 | 0.032 (3) | 0.027 (3) | 0.021 (2) | 0.000 (2) | 0.006 (2) | −0.001 (2) |
C33 | 0.032 (3) | 0.051 (4) | 0.032 (3) | 0.003 (3) | 0.001 (2) | 0.004 (3) |
C34 | 0.054 (5) | 0.060 (5) | 0.036 (3) | 0.012 (4) | −0.005 (3) | 0.019 (3) |
C35 | 0.068 (5) | 0.049 (5) | 0.034 (3) | 0.000 (4) | 0.017 (3) | 0.008 (3) |
C36 | 0.058 (4) | 0.035 (4) | 0.036 (3) | −0.003 (3) | 0.021 (3) | −0.002 (3) |
C37 | 0.039 (4) | 0.032 (3) | 0.030 (3) | −0.005 (3) | 0.010 (2) | 0.004 (2) |
C38 | 0.029 (3) | 0.031 (3) | 0.022 (3) | −0.004 (2) | 0.004 (2) | −0.001 (2) |
C39 | 0.034 (4) | 0.040 (4) | 0.040 (3) | −0.011 (3) | 0.009 (3) | −0.010 (3) |
C40 | 0.047 (4) | 0.044 (4) | 0.066 (4) | −0.023 (3) | 0.019 (3) | −0.016 (3) |
C41 | 0.034 (4) | 0.073 (6) | 0.052 (4) | −0.030 (4) | 0.013 (3) | −0.019 (4) |
C42 | 0.023 (3) | 0.057 (5) | 0.046 (3) | −0.010 (3) | 0.009 (3) | −0.010 (3) |
C43 | 0.030 (3) | 0.040 (4) | 0.030 (3) | −0.001 (3) | 0.005 (2) | −0.002 (3) |
C44 | 0.025 (3) | 0.027 (3) | 0.029 (3) | 0.002 (2) | 0.010 (2) | −0.005 (2) |
C45 | 0.026 (3) | 0.021 (3) | 0.029 (3) | 0.002 (2) | 0.007 (2) | 0.005 (2) |
P46 | 0.0208 (7) | 0.0216 (8) | 0.0228 (6) | 0.0023 (6) | 0.0061 (5) | 0.0012 (5) |
C47 | 0.023 (3) | 0.029 (3) | 0.022 (2) | 0.002 (2) | 0.005 (2) | 0.002 (2) |
C48 | 0.025 (3) | 0.028 (3) | 0.024 (3) | 0.004 (2) | 0.006 (2) | 0.002 (2) |
C49 | 0.023 (3) | 0.036 (4) | 0.032 (3) | −0.001 (3) | 0.001 (2) | −0.003 (2) |
C50 | 0.023 (3) | 0.053 (4) | 0.037 (3) | 0.002 (3) | 0.007 (2) | −0.003 (3) |
C51 | 0.025 (3) | 0.042 (4) | 0.039 (3) | 0.007 (3) | 0.009 (2) | −0.008 (3) |
C52 | 0.023 (3) | 0.032 (3) | 0.036 (3) | 0.007 (2) | 0.005 (2) | −0.002 (2) |
C53 | 0.027 (3) | 0.022 (3) | 0.028 (3) | 0.008 (2) | 0.010 (2) | 0.003 (2) |
C54 | 0.031 (3) | 0.035 (4) | 0.032 (3) | 0.005 (3) | 0.008 (2) | 0.002 (2) |
C55 | 0.049 (4) | 0.042 (4) | 0.041 (3) | 0.012 (3) | 0.017 (3) | 0.020 (3) |
C56 | 0.042 (4) | 0.061 (5) | 0.036 (3) | 0.018 (3) | 0.010 (3) | 0.013 (3) |
C57 | 0.045 (4) | 0.062 (5) | 0.030 (3) | 0.003 (3) | 0.003 (3) | 0.001 (3) |
C58 | 0.030 (3) | 0.045 (4) | 0.029 (3) | −0.008 (3) | 0.004 (2) | −0.003 (3) |
C61 | 0.051 (5) | 0.073 (6) | 0.075 (5) | −0.009 (4) | −0.004 (4) | −0.010 (4) |
Cl3 | 0.151 (2) | 0.0539 (14) | 0.0672 (13) | 0.0325 (14) | −0.0026 (13) | −0.0025 (10) |
Cl4 | 0.0424 (12) | 0.156 (3) | 0.0767 (13) | −0.0028 (13) | 0.0180 (9) | −0.0398 (14) |
C62A | 0.041 (9) | 0.069 (12) | 0.117 (13) | 0.025 (8) | 0.021 (8) | 0.010 (10) |
Cl5A | 0.076 (3) | 0.085 (4) | 0.098 (3) | 0.022 (3) | −0.008 (2) | −0.003 (2) |
Cl6A | 0.128 (7) | 0.306 (12) | 0.082 (4) | 0.008 (7) | 0.001 (4) | 0.036 (5) |
C62B | 0.16 (3) | 0.17 (3) | 0.22 (4) | −0.04 (3) | 0.00 (3) | 0.08 (3) |
Cl5B | 0.211 (14) | 0.31 (2) | 0.38 (2) | −0.103 (14) | −0.015 (13) | 0.164 (17) |
Cl6B | 0.204 (13) | 0.192 (12) | 0.233 (11) | 0.067 (9) | 0.118 (10) | 0.111 (9) |
Ru1—P1 | 2.3825 (14) | C32—C33 | 1.394 (7) |
Ru1—Cl1 | 2.4710 (14) | C32—C37 | 1.409 (7) |
Ru1—Cl2 | 2.4752 (13) | C33—H33A | 0.9500 |
Ru1—P16 | 2.3301 (14) | C33—C34 | 1.413 (8) |
Ru1—P31 | 2.3915 (14) | C34—H34A | 0.9500 |
Ru1—P46 | 2.3568 (14) | C34—C35 | 1.380 (9) |
P1—C2 | 1.839 (5) | C35—H35A | 0.9500 |
P1—C8 | 1.857 (5) | C35—C36 | 1.364 (9) |
P1—C14 | 1.857 (5) | C36—H36A | 0.9500 |
C2—C3 | 1.380 (7) | C36—C37 | 1.392 (7) |
C2—C7 | 1.407 (7) | C37—H37A | 0.9500 |
C3—H3A | 0.9500 | C38—C39 | 1.407 (8) |
C3—C4 | 1.404 (8) | C38—C43 | 1.409 (7) |
C4—H4A | 0.9500 | C39—H39A | 0.9500 |
C4—C5 | 1.393 (9) | C39—C40 | 1.391 (8) |
C5—H5A | 0.9500 | C40—H40A | 0.9500 |
C5—C6 | 1.372 (9) | C40—C41 | 1.385 (9) |
C6—H6A | 0.9500 | C41—H41A | 0.9500 |
C6—C7 | 1.385 (8) | C41—C42 | 1.397 (9) |
C7—H7A | 0.9500 | C42—H42A | 0.9500 |
C8—C9 | 1.417 (7) | C42—C43 | 1.389 (8) |
C8—C13 | 1.386 (7) | C43—H43A | 0.9500 |
C9—H9A | 0.9500 | C44—H44A | 0.9900 |
C9—C10 | 1.391 (8) | C44—H44B | 0.9900 |
C10—H10A | 0.9500 | C44—C45 | 1.541 (6) |
C10—C11 | 1.378 (8) | C45—H45A | 0.9900 |
C11—H11A | 0.9500 | C45—H45B | 0.9900 |
C11—C12 | 1.408 (8) | C45—P46 | 1.848 (5) |
C12—H12A | 0.9500 | P46—C47 | 1.850 (5) |
C12—C13 | 1.398 (7) | P46—C53 | 1.869 (5) |
C13—H13A | 0.9500 | C47—C48 | 1.412 (7) |
C14—H14A | 0.9900 | C47—C52 | 1.412 (7) |
C14—H14B | 0.9900 | C48—H48A | 0.9500 |
C14—C15 | 1.535 (7) | C48—C49 | 1.382 (7) |
C15—H15A | 0.9900 | C49—H49A | 0.9500 |
C15—H15B | 0.9900 | C49—C50 | 1.391 (8) |
C15—P16 | 1.858 (5) | C50—H50A | 0.9500 |
P16—C17 | 1.854 (5) | C50—C51 | 1.398 (8) |
P16—C23 | 1.858 (5) | C51—H51A | 0.9500 |
C17—C18 | 1.407 (7) | C51—C52 | 1.390 (7) |
C17—C22 | 1.405 (7) | C52—H52A | 0.9500 |
C18—H18A | 0.9500 | C53—C54 | 1.384 (7) |
C18—C19 | 1.394 (8) | C53—C58 | 1.407 (7) |
C19—H19A | 0.9500 | C54—H54A | 0.9500 |
C19—C20 | 1.394 (8) | C54—C55 | 1.410 (7) |
C20—H20A | 0.9500 | C55—H55A | 0.9500 |
C20—C21 | 1.389 (7) | C55—C56 | 1.369 (9) |
C21—H21A | 0.9500 | C56—H56A | 0.9500 |
C21—C22 | 1.378 (7) | C56—C57 | 1.385 (9) |
C22—H22A | 0.9500 | C57—H57A | 0.9500 |
C23—C24 | 1.408 (7) | C57—C58 | 1.384 (8) |
C23—C28 | 1.432 (7) | C58—H58A | 0.9500 |
C24—H24A | 0.9500 | C61—H61A | 0.9900 |
C24—C25 | 1.394 (7) | C61—H61B | 0.9900 |
C25—H25A | 0.9500 | C61—Cl3 | 1.724 (8) |
C25—C26 | 1.389 (8) | C61—Cl4 | 1.749 (7) |
C26—H26A | 0.9500 | C62A—H62A | 0.9900 |
C26—C27 | 1.393 (8) | C62A—H62B | 0.9900 |
C27—H27A | 0.9500 | C62A—Cl5A | 1.722 (11) |
C27—C28 | 1.381 (7) | C62A—Cl6A | 1.732 (12) |
C28—H28A | 0.9500 | C62B—H62C | 0.9900 |
P31—C32 | 1.836 (5) | C62B—H62D | 0.9900 |
P31—C38 | 1.836 (6) | C62B—Cl5B | 1.692 (16) |
P31—C44 | 1.833 (5) | C62B—Cl6B | 1.668 (17) |
P1—Ru1—Cl1 | 88.48 (5) | Ru1—P31—C44 | 106.35 (17) |
P1—Ru1—Cl2 | 86.63 (5) | C32—P31—C38 | 101.4 (2) |
P1—Ru1—P16 | 84.50 (5) | C32—P31—C44 | 105.6 (2) |
P1—Ru1—P31 | 167.19 (5) | C38—P31—C44 | 104.3 (3) |
P1—Ru1—P46 | 104.41 (5) | P31—C32—C33 | 120.6 (4) |
Cl1—Ru1—Cl2 | 87.71 (4) | P31—C32—C37 | 121.4 (4) |
Cl1—Ru1—P16 | 91.46 (5) | C33—C32—C37 | 118.0 (5) |
Cl1—Ru1—P31 | 83.26 (5) | C32—C33—H33A | 120.4 |
Cl1—Ru1—P46 | 166.84 (4) | C32—C33—C34 | 119.1 (6) |
Cl2—Ru1—P16 | 171.11 (5) | H33A—C33—C34 | 120.4 |
Cl2—Ru1—P31 | 83.28 (5) | C33—C34—H34A | 118.9 |
Cl2—Ru1—P46 | 90.35 (5) | C33—C34—C35 | 122.2 (6) |
P16—Ru1—P31 | 105.41 (5) | H34A—C34—C35 | 118.9 |
P16—Ru1—P46 | 92.42 (5) | C34—C35—H35A | 120.8 |
P31—Ru1—P46 | 83.58 (5) | C34—C35—C36 | 118.4 (6) |
Ru1—P1—C2 | 123.04 (17) | H35A—C35—C36 | 120.8 |
Ru1—P1—C8 | 119.43 (16) | C35—C36—H36A | 119.3 |
Ru1—P1—C14 | 108.67 (17) | C35—C36—C37 | 121.4 (6) |
C2—P1—C8 | 97.3 (2) | H36A—C36—C37 | 119.3 |
C2—P1—C14 | 102.6 (2) | C32—C37—C36 | 120.9 (5) |
C8—P1—C14 | 103.0 (2) | C32—C37—H37A | 119.5 |
P1—C2—C3 | 120.2 (4) | C36—C37—H37A | 119.5 |
P1—C2—C7 | 120.5 (4) | P31—C38—C39 | 123.3 (4) |
C3—C2—C7 | 119.3 (5) | P31—C38—C43 | 118.6 (4) |
C2—C3—H3A | 120.0 | C39—C38—C43 | 118.1 (5) |
C2—C3—C4 | 120.0 (6) | C38—C39—H39A | 119.5 |
H3A—C3—C4 | 120.0 | C38—C39—C40 | 120.9 (6) |
C3—C4—H4A | 120.0 | H39A—C39—C40 | 119.5 |
C3—C4—C5 | 120.1 (6) | C39—C40—H40A | 119.9 |
H4A—C4—C5 | 120.0 | C39—C40—C41 | 120.2 (7) |
C4—C5—H5A | 120.1 | H40A—C40—C41 | 119.9 |
C4—C5—C6 | 119.8 (6) | C40—C41—H41A | 120.0 |
H5A—C5—C6 | 120.1 | C40—C41—C42 | 119.9 (6) |
C5—C6—H6A | 119.7 | H41A—C41—C42 | 120.0 |
C5—C6—C7 | 120.5 (6) | C41—C42—H42A | 119.9 |
H6A—C6—C7 | 119.7 | C41—C42—C43 | 120.2 (6) |
C2—C7—C6 | 120.2 (5) | H42A—C42—C43 | 119.9 |
C2—C7—H7A | 119.9 | C38—C43—C42 | 120.7 (6) |
C6—C7—H7A | 119.9 | C38—C43—H43A | 119.7 |
P1—C8—C9 | 118.6 (4) | C42—C43—H43A | 119.7 |
P1—C8—C13 | 122.6 (4) | P31—C44—H44A | 110.3 |
C9—C8—C13 | 118.5 (5) | P31—C44—H44B | 110.3 |
C8—C9—H9A | 119.8 | P31—C44—C45 | 107.1 (3) |
C8—C9—C10 | 120.3 (5) | H44A—C44—H44B | 108.6 |
H9A—C9—C10 | 119.8 | H44A—C44—C45 | 110.3 |
C9—C10—H10A | 119.6 | H44B—C44—C45 | 110.3 |
C9—C10—C11 | 120.9 (5) | C44—C45—H45A | 110.3 |
H10A—C10—C11 | 119.6 | C44—C45—H45B | 110.3 |
C10—C11—H11A | 120.3 | C44—C45—P46 | 107.2 (3) |
C10—C11—C12 | 119.3 (5) | H45A—C45—H45B | 108.5 |
H11A—C11—C12 | 120.3 | H45A—C45—P46 | 110.3 |
C11—C12—H12A | 120.0 | H45B—C45—P46 | 110.3 |
C11—C12—C13 | 120.0 (5) | Ru1—P46—C45 | 105.43 (17) |
H12A—C12—C13 | 120.0 | Ru1—P46—C47 | 120.29 (17) |
C8—C13—C12 | 121.0 (5) | Ru1—P46—C53 | 127.25 (16) |
C8—C13—H13A | 119.5 | C45—P46—C47 | 101.6 (2) |
C12—C13—H13A | 119.5 | C45—P46—C53 | 101.9 (2) |
P1—C14—H14A | 109.6 | C47—P46—C53 | 96.6 (2) |
P1—C14—H14B | 109.6 | P46—C47—C48 | 119.9 (4) |
P1—C14—C15 | 110.2 (3) | P46—C47—C52 | 121.8 (4) |
H14A—C14—H14B | 108.1 | C48—C47—C52 | 118.0 (5) |
H14A—C14—C15 | 109.6 | C47—C48—H48A | 119.8 |
H14B—C14—C15 | 109.6 | C47—C48—C49 | 120.4 (5) |
C14—C15—H15A | 109.3 | H48A—C48—C49 | 119.8 |
C14—C15—H15B | 109.3 | C48—C49—H49A | 119.5 |
C14—C15—P16 | 111.5 (3) | C48—C49—C50 | 121.0 (5) |
H15A—C15—H15B | 108.0 | H49A—C49—C50 | 119.5 |
H15A—C15—P16 | 109.3 | C49—C50—H50A | 120.1 |
H15B—C15—P16 | 109.3 | C49—C50—C51 | 119.8 (5) |
Ru1—P16—C15 | 105.83 (16) | H50A—C50—C51 | 120.1 |
Ru1—P16—C17 | 126.18 (16) | C50—C51—H51A | 120.3 |
Ru1—P16—C23 | 122.28 (16) | C50—C51—C52 | 119.5 (5) |
C15—P16—C17 | 100.6 (2) | H51A—C51—C52 | 120.3 |
C15—P16—C23 | 100.4 (2) | C47—C52—C51 | 121.4 (5) |
C17—P16—C23 | 97.1 (2) | C47—C52—H52A | 119.3 |
P16—C17—C18 | 122.4 (4) | C51—C52—H52A | 119.3 |
P16—C17—C22 | 120.1 (4) | P46—C53—C54 | 123.5 (4) |
C18—C17—C22 | 116.6 (5) | P46—C53—C58 | 118.4 (4) |
C17—C18—H18A | 119.1 | C54—C53—C58 | 118.0 (5) |
C17—C18—C19 | 121.8 (5) | C53—C54—H54A | 119.6 |
H18A—C18—C19 | 119.1 | C53—C54—C55 | 120.7 (5) |
C18—C19—H19A | 120.1 | H54A—C54—C55 | 119.6 |
C18—C19—C20 | 119.8 (5) | C54—C55—H55A | 119.7 |
H19A—C19—C20 | 120.1 | C54—C55—C56 | 120.6 (6) |
C19—C20—H20A | 120.4 | H55A—C55—C56 | 119.7 |
C19—C20—C21 | 119.2 (5) | C55—C56—H56A | 120.5 |
H20A—C20—C21 | 120.4 | C55—C56—C57 | 119.0 (5) |
C20—C21—H21A | 119.6 | H56A—C56—C57 | 120.5 |
C20—C21—C22 | 120.7 (5) | C56—C57—H57A | 119.4 |
H21A—C21—C22 | 119.6 | C56—C57—C58 | 121.2 (6) |
C17—C22—C21 | 121.8 (5) | H57A—C57—C58 | 119.4 |
C17—C22—H22A | 119.1 | C53—C58—C57 | 120.4 (6) |
C21—C22—H22A | 119.1 | C53—C58—H58A | 119.8 |
P16—C23—C24 | 122.5 (4) | C57—C58—H58A | 119.8 |
P16—C23—C28 | 121.0 (4) | H61A—C61—H61B | 108.1 |
C24—C23—C28 | 116.3 (5) | H61A—C61—Cl3 | 109.5 |
C23—C24—H24A | 118.9 | H61A—C61—Cl4 | 109.5 |
C23—C24—C25 | 122.1 (5) | H61B—C61—Cl3 | 109.5 |
H24A—C24—C25 | 118.9 | H61B—C61—Cl4 | 109.5 |
C24—C25—H25A | 119.9 | Cl3—C61—Cl4 | 110.9 (4) |
C24—C25—C26 | 120.2 (5) | H62A—C62A—H62B | 107.8 |
H25A—C25—C26 | 119.9 | H62A—C62A—Cl5A | 109.0 |
C25—C26—H26A | 120.5 | H62A—C62A—Cl6A | 109.0 |
C25—C26—C27 | 119.1 (5) | H62B—C62A—Cl5A | 109.0 |
H26A—C26—C27 | 120.5 | H62B—C62A—Cl6A | 109.0 |
C26—C27—H27A | 119.3 | Cl5A—C62A—Cl6A | 113.0 (8) |
C26—C27—C28 | 121.4 (6) | H62C—C62B—H62D | 108.3 |
H27A—C27—C28 | 119.3 | H62C—C62B—Cl5B | 109.8 |
C23—C28—C27 | 120.9 (5) | H62C—C62B—Cl6B | 109.8 |
C23—C28—H28A | 119.6 | H62D—C62B—Cl5B | 109.8 |
C27—C28—H28A | 119.6 | H62D—C62B—Cl6B | 109.8 |
Ru1—P31—C32 | 117.82 (18) | Cl5B—C62B—Cl6B | 109.2 (16) |
Ru1—P31—C38 | 119.88 (17) | ||
Cl1—Ru1—P1—C2 | 148.0 (2) | Cl1—Ru1—P31—C32 | −50.6 (2) |
Cl1—Ru1—P1—C8 | 25.22 (19) | Cl1—Ru1—P31—C38 | 73.5 (2) |
Cl1—Ru1—P1—C14 | −92.43 (19) | Cl1—Ru1—P31—C44 | −168.77 (18) |
Cl2—Ru1—P1—C2 | 60.2 (2) | Cl2—Ru1—P31—C32 | 37.9 (2) |
Cl2—Ru1—P1—C8 | −62.58 (19) | Cl2—Ru1—P31—C38 | 161.9 (2) |
Cl2—Ru1—P1—C14 | 179.77 (19) | Cl2—Ru1—P31—C44 | −80.29 (18) |
P16—Ru1—P1—C2 | −120.4 (2) | P16—Ru1—P31—C32 | −140.3 (2) |
P16—Ru1—P1—C8 | 116.83 (19) | P16—Ru1—P31—C38 | −16.2 (2) |
P16—Ru1—P1—C14 | −0.81 (19) | P16—Ru1—P31—C44 | 101.57 (18) |
P31—Ru1—P1—C2 | 98.2 (3) | P46—Ru1—P31—C32 | 129.0 (2) |
P31—Ru1—P1—C8 | −24.5 (3) | P46—Ru1—P31—C38 | −106.9 (2) |
P31—Ru1—P1—C14 | −142.2 (3) | P46—Ru1—P31—C44 | 10.83 (18) |
P46—Ru1—P1—C2 | −29.3 (2) | Ru1—P31—C32—C33 | 93.8 (5) |
P46—Ru1—P1—C8 | −152.08 (19) | Ru1—P31—C32—C37 | −85.0 (5) |
P46—Ru1—P1—C14 | 90.28 (19) | C38—P31—C32—C33 | −39.1 (5) |
Ru1—P1—C2—C3 | 86.2 (4) | C38—P31—C32—C37 | 142.1 (5) |
Ru1—P1—C2—C7 | −92.4 (4) | C44—P31—C32—C33 | −147.6 (5) |
C8—P1—C2—C3 | −141.4 (4) | C44—P31—C32—C37 | 33.5 (5) |
C8—P1—C2—C7 | 40.0 (5) | P31—C32—C33—C34 | −177.9 (5) |
C14—P1—C2—C3 | −36.3 (5) | C37—C32—C33—C34 | 1.0 (8) |
C14—P1—C2—C7 | 145.1 (4) | C32—C33—C34—C35 | −1.2 (10) |
P1—C2—C3—C4 | −178.9 (5) | C33—C34—C35—C36 | −0.1 (10) |
C7—C2—C3—C4 | −0.3 (9) | C34—C35—C36—C37 | 1.7 (10) |
C2—C3—C4—C5 | −0.9 (10) | C35—C36—C37—C32 | −2.0 (9) |
C3—C4—C5—C6 | 1.9 (11) | P31—C32—C37—C36 | 179.5 (4) |
C4—C5—C6—C7 | −1.8 (10) | C33—C32—C37—C36 | 0.6 (8) |
C5—C6—C7—C2 | 0.7 (9) | Ru1—P31—C38—C39 | 135.2 (4) |
P1—C2—C7—C6 | 179.0 (4) | Ru1—P31—C38—C43 | −43.1 (4) |
C3—C2—C7—C6 | 0.4 (8) | C32—P31—C38—C39 | −93.2 (5) |
Ru1—P1—C8—C9 | −154.2 (4) | C32—P31—C38—C43 | 88.5 (4) |
Ru1—P1—C8—C13 | 31.8 (5) | C44—P31—C38—C39 | 16.4 (5) |
C2—P1—C8—C9 | 71.1 (4) | C44—P31—C38—C43 | −161.9 (4) |
C2—P1—C8—C13 | −102.9 (4) | P31—C38—C39—C40 | −176.4 (4) |
C14—P1—C8—C9 | −33.6 (5) | C43—C38—C39—C40 | 1.9 (8) |
C14—P1—C8—C13 | 152.4 (4) | C38—C39—C40—C41 | −1.6 (9) |
P1—C8—C9—C10 | −174.2 (5) | C39—C40—C41—C42 | 0.4 (10) |
C13—C8—C9—C10 | 0.0 (8) | C40—C41—C42—C43 | 0.3 (9) |
C8—C9—C10—C11 | 0.8 (9) | C41—C42—C43—C38 | 0.1 (8) |
C9—C10—C11—C12 | −0.7 (9) | P31—C38—C43—C42 | 177.2 (4) |
C10—C11—C12—C13 | −0.1 (8) | C39—C38—C43—C42 | −1.2 (7) |
P1—C8—C13—C12 | 173.1 (4) | Ru1—P31—C44—C45 | −43.5 (4) |
C9—C8—C13—C12 | −0.9 (8) | C32—P31—C44—C45 | −169.4 (3) |
C11—C12—C13—C8 | 0.9 (8) | C38—P31—C44—C45 | 84.2 (4) |
Ru1—P1—C14—C15 | −26.1 (4) | P31—C44—C45—P46 | 60.2 (4) |
C2—P1—C14—C15 | 105.5 (4) | C44—C45—P46—Ru1 | −49.1 (3) |
C8—P1—C14—C15 | −153.8 (3) | C44—C45—P46—C47 | 77.1 (4) |
P1—C14—C15—P16 | 46.7 (4) | C44—C45—P46—C53 | 176.5 (3) |
C14—C15—P16—Ru1 | −46.0 (4) | P1—Ru1—P46—C45 | −172.98 (16) |
C14—C15—P16—C17 | −178.7 (4) | P1—Ru1—P46—C47 | 73.26 (18) |
C14—C15—P16—C23 | 82.0 (4) | P1—Ru1—P46—C53 | −54.4 (2) |
P1—Ru1—P16—C15 | 22.09 (18) | Cl1—Ru1—P46—C45 | 19.0 (3) |
P1—Ru1—P16—C17 | 138.4 (2) | Cl1—Ru1—P46—C47 | −94.8 (3) |
P1—Ru1—P16—C23 | −91.6 (2) | Cl1—Ru1—P46—C53 | 137.5 (3) |
P31—Ru1—P16—C15 | −166.16 (17) | Cl2—Ru1—P46—C45 | 100.41 (17) |
P31—Ru1—P16—C17 | −49.8 (2) | Cl2—Ru1—P46—C47 | −13.35 (18) |
P31—Ru1—P16—C23 | 80.1 (2) | Cl2—Ru1—P46—C53 | −141.0 (2) |
P46—Ru1—P16—C15 | −82.15 (18) | P16—Ru1—P46—C45 | −88.04 (17) |
P46—Ru1—P16—C17 | 34.2 (2) | P16—Ru1—P46—C47 | 158.20 (18) |
P46—Ru1—P16—C23 | 164.1 (2) | P16—Ru1—P46—C53 | 30.5 (2) |
Ru1—P16—C17—C18 | −135.0 (4) | P31—Ru1—P46—C45 | 17.21 (17) |
Ru1—P16—C17—C22 | 55.8 (5) | P31—Ru1—P46—C47 | −96.55 (18) |
C15—P16—C17—C18 | −16.2 (5) | P31—Ru1—P46—C53 | 135.8 (2) |
C15—P16—C17—C22 | 174.6 (4) | Ru1—P46—C47—C48 | −40.9 (4) |
C23—P16—C17—C18 | 85.8 (4) | Ru1—P46—C47—C52 | 145.8 (3) |
C23—P16—C17—C22 | −83.4 (4) | C45—P46—C47—C48 | −156.7 (4) |
P16—C17—C18—C19 | −169.8 (4) | C45—P46—C47—C52 | 30.0 (4) |
C22—C17—C18—C19 | −0.2 (8) | C53—P46—C47—C48 | 99.7 (4) |
C17—C18—C19—C20 | 1.3 (8) | C53—P46—C47—C52 | −73.6 (4) |
C18—C19—C20—C21 | −2.1 (9) | P46—C47—C48—C49 | −173.2 (4) |
C19—C20—C21—C22 | 2.0 (9) | C52—C47—C48—C49 | 0.3 (7) |
C20—C21—C22—C17 | −0.9 (8) | C47—C48—C49—C50 | −1.3 (7) |
P16—C17—C22—C21 | 169.8 (4) | C48—C49—C50—C51 | 0.9 (8) |
C18—C17—C22—C21 | 0.0 (8) | C49—C50—C51—C52 | 0.5 (8) |
Ru1—P16—C23—C24 | −133.1 (3) | C50—C51—C52—C47 | −1.5 (7) |
Ru1—P16—C23—C28 | 52.0 (4) | P46—C47—C52—C51 | 174.5 (4) |
C15—P16—C23—C24 | 110.5 (4) | C48—C47—C52—C51 | 1.1 (7) |
C15—P16—C23—C28 | −64.4 (4) | Ru1—P46—C53—C54 | −91.9 (5) |
C17—P16—C23—C24 | 8.4 (4) | Ru1—P46—C53—C58 | 91.1 (4) |
C17—P16—C23—C28 | −166.6 (4) | C45—P46—C53—C54 | 28.2 (5) |
P16—C23—C24—C25 | −174.0 (4) | C45—P46—C53—C58 | −148.8 (4) |
C28—C23—C24—C25 | 1.1 (7) | C47—P46—C53—C54 | 131.6 (5) |
C23—C24—C25—C26 | 0.9 (7) | C47—P46—C53—C58 | −45.4 (5) |
C24—C25—C26—C27 | −1.7 (7) | P46—C53—C54—C55 | −177.5 (4) |
C25—C26—C27—C28 | 0.4 (7) | C58—C53—C54—C55 | −0.5 (8) |
C26—C27—C28—C23 | 1.8 (7) | C53—C54—C55—C56 | −0.8 (9) |
P16—C23—C28—C27 | 172.8 (4) | C54—C55—C56—C57 | 1.5 (9) |
C24—C23—C28—C27 | −2.4 (6) | C55—C56—C57—C58 | −0.8 (9) |
P1—Ru1—P31—C32 | −0.4 (3) | C56—C57—C58—C53 | −0.6 (9) |
P1—Ru1—P31—C38 | 123.7 (3) | P46—C53—C58—C57 | 178.4 (4) |
P1—Ru1—P31—C44 | −118.6 (3) | C54—C53—C58—C57 | 1.2 (8) |
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