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In the cation of the title complex, cis,cis,cis-[Ru(2-O2CMe)(dppe)2]PF6·2MeOH [dppe is 1,2-bis(diphenylphosphino)ethane, C26H24P2], the Ru atom is in a pseudo-octahedral coordination environment with two chelating dppe ligands and one chelating acetate ligand. Intra-phosphine and intra-acetate bond lengths and angles are unexceptional. Deviations from idealized octahedral coordination angles at ruthenium [O-Ru-O 59.43 (8)° and P-Ru-P 103.19 (2)°] presumably derive from constraints imposed by the chelate rings. The Ru-P distances for the mutually trans P-donor atoms [2.3785 (6) Å] are significantly longer than those for the Ru-P linkages trans to the acetate ligand [2.3074 (6) Å]. The Ru1, C1 and C2 atoms lie on a twofold axis, and atom P3 of the anion lies on an inversion centre.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100011082/qa0364sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108270100011082/qa0364Isup2.hkl |
CCDC reference: 150732
Computing details top
Data collection: COLLECT (Nonius, 1999); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN; program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: TEXSAN (Molecular Structures Corporation, 1997); software used to prepare material for publication: TEXSAN.
(I) top
Crystal data top
[Ru(C2H3O2)(C26H24P2)2]PF6·2CH4O | F(000) = 2400 |
Mr = 1166.01 | Dx = 1.457 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.7107 Å |
a = 13.4832 (2) Å | Cell parameters from 41382 reflections |
b = 19.6340 (2) Å | θ = 2.9–27.5° |
c = 20.3112 (3) Å | µ = 0.51 mm−1 |
β = 98.6340 (8)° | T = 273 K |
V = 5316.0 (1) Å3 | Block, orange |
Z = 4 | 0.30 × 0.20 × 0.15 mm |
Data collection top
KappaCCD diffractometer | 6127 independent reflections |
Radiation source: fine-focus sealed tube | 4464 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.068 |
ω scans | θmax = 27.5°, θmin = 3.1° |
Absorption correction: multi-scan [SORTAV (Blessing, 1995) implemented in maXus (Mackay et al., 1999)] | h = −17→17 |
Tmin = 0.847, Tmax = 0.926 | k = −25→25 |
53848 measured reflections | l = −25→26 |
Refinement top
Refinement on F | 1 restraint |
Least-squares matrix: full | 0 constraints |
R[F2 > 2σ(F2)] = 0.035 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.039 | Weighting scheme based on measured s.u.'s w = 1/[σ2(Fo) + 0.00040|Fo|2] |
S = 0.94 | (Δ/σ)max = 0.022 |
4464 reflections | Δρmax = 0.49 e Å−3 |
328 parameters | Δρmin = −0.66 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Ru1 | 1.0000 | 0.01398 (1) | 0.7500 | 0.02060 (7) | |
P1 | 0.88724 (5) | 0.00522 (3) | 0.64840 (3) | 0.0234 (2) | |
P2 | 1.07225 (5) | 0.09704 (3) | 0.69230 (3) | 0.0243 (2) | |
P3 | 0.7500 | 0.2500 | 0.5000 | 0.0391 (3) | |
F1 | 0.7197 (2) | 0.3242 (1) | 0.5187 (1) | 0.0877 (8) | |
F2 | 0.8302 (2) | 0.2805 (1) | 0.4579 (1) | 0.0668 (7) | |
F3 | 0.8338 (2) | 0.2478 (1) | 0.5633 (1) | 0.0833 (8) | |
O1 | 0.9338 (1) | −0.08288 (9) | 0.77453 (8) | 0.0258 (5) | |
O2 | 1.0276 (2) | 0.3288 (2) | 0.5381 (2) | 0.097 (1) | |
C1 | 1.0000 | −0.1163 (2) | 0.7500 | 0.0266 (9) | |
C2 | 1.0000 | −0.1924 (2) | 0.7500 | 0.040 (1) | |
C3 | 1.0052 (4) | 0.3866 (2) | 0.5708 (2) | 0.092 (2) | |
C101 | 0.9285 (2) | 0.0628 (1) | 0.5872 (1) | 0.0300 (7) | |
C111 | 0.8819 (2) | −0.0790 (1) | 0.6089 (1) | 0.0280 (7) | |
C112 | 0.9611 (2) | −0.1018 (1) | 0.5779 (1) | 0.0351 (8) | |
C113 | 0.9610 (2) | −0.1664 (2) | 0.5511 (1) | 0.0426 (9) | |
C114 | 0.8818 (3) | −0.2095 (2) | 0.5544 (2) | 0.049 (1) | |
C115 | 0.8028 (3) | −0.1882 (2) | 0.5843 (2) | 0.052 (1) | |
C116 | 0.8027 (2) | −0.1234 (2) | 0.6121 (1) | 0.0380 (8) | |
C121 | 0.7557 (2) | 0.0233 (1) | 0.6515 (1) | 0.0255 (7) | |
C122 | 0.7142 (2) | −0.0049 (1) | 0.7045 (1) | 0.0300 (7) | |
C123 | 0.6163 (2) | 0.0082 (2) | 0.7122 (1) | 0.0376 (8) | |
C124 | 0.5578 (2) | 0.0502 (2) | 0.6672 (2) | 0.0428 (9) | |
C125 | 0.5970 (2) | 0.0778 (2) | 0.6145 (2) | 0.0407 (8) | |
C126 | 0.6958 (2) | 0.0644 (1) | 0.6058 (1) | 0.0325 (7) | |
C201 | 0.9756 (2) | 0.1254 (1) | 0.6236 (1) | 0.0283 (7) | |
C211 | 1.1267 (2) | 0.1780 (1) | 0.7251 (1) | 0.0302 (7) | |
C212 | 1.0854 (2) | 0.2405 (2) | 0.7061 (2) | 0.0418 (9) | |
C213 | 1.1319 (3) | 0.3003 (2) | 0.7311 (2) | 0.055 (1) | |
C214 | 1.2195 (3) | 0.2979 (2) | 0.7754 (2) | 0.056 (1) | |
C215 | 1.2616 (3) | 0.2364 (2) | 0.7944 (2) | 0.050 (1) | |
C216 | 1.2166 (2) | 0.1766 (2) | 0.7689 (1) | 0.0404 (8) | |
C221 | 1.1696 (2) | 0.0687 (1) | 0.6434 (1) | 0.0269 (7) | |
C222 | 1.2232 (2) | 0.1163 (1) | 0.6122 (2) | 0.0396 (9) | |
C223 | 1.2896 (2) | 0.0957 (2) | 0.5704 (2) | 0.0460 (9) | |
C224 | 1.3044 (2) | 0.0278 (2) | 0.5597 (2) | 0.0423 (9) | |
C225 | 1.2525 (2) | −0.0201 (2) | 0.5906 (1) | 0.0383 (9) | |
C226 | 1.1855 (2) | 0.0003 (1) | 0.6321 (1) | 0.0304 (7) | |
H1c | 1.0588 | −0.2085 | 0.7345 | 0.048* | 0.500 |
H1a | 0.9988 | −0.2085 | 0.7940 | 0.048* | 0.500 |
H1b | 0.9424 | −0.2085 | 0.7215 | 0.048* | 0.500 |
H3c | 1.0573 | 0.3954 | 0.6068 | 0.111* | |
H3a | 0.9437 | 0.3804 | 0.5875 | 0.111* | |
H3b | 0.9992 | 0.4240 | 0.5408 | 0.111* | |
H4 | 0.9615 | 0.3135 | 0.5177 | 0.043* | |
H101a | 0.8727 | 0.0761 | 0.5556 | 0.036* | |
H101b | 0.9766 | 0.0406 | 0.5650 | 0.036* | |
H112 | 1.0163 | −0.0723 | 0.5752 | 0.042* | |
H113 | 1.0159 | −0.1811 | 0.5303 | 0.051* | |
H114 | 0.8817 | −0.2540 | 0.5359 | 0.059* | |
H115 | 0.7476 | −0.2178 | 0.5862 | 0.062* | |
H116 | 0.7480 | −0.1095 | 0.6334 | 0.046* | |
H122 | 0.7542 | −0.0336 | 0.7355 | 0.036* | |
H123 | 0.5889 | −0.0114 | 0.7483 | 0.045* | |
H124 | 0.4906 | 0.0600 | 0.6728 | 0.051* | |
H125 | 0.5563 | 0.1063 | 0.5837 | 0.049* | |
H126 | 0.7221 | 0.0832 | 0.5689 | 0.039* | |
H201b | 1.0056 | 0.1530 | 0.5936 | 0.034* | |
H210a | 0.9255 | 0.1508 | 0.6410 | 0.034* | |
H212 | 1.0246 | 0.2427 | 0.6757 | 0.050* | |
H213 | 1.1029 | 0.3431 | 0.7175 | 0.066* | |
H214 | 1.2506 | 0.3389 | 0.7927 | 0.067* | |
H215 | 1.3220 | 0.2346 | 0.8252 | 0.060* | |
H216 | 1.2475 | 0.1341 | 0.7816 | 0.049* | |
H222 | 1.2141 | 0.1635 | 0.6197 | 0.048* | |
H223 | 1.3251 | 0.1288 | 0.5491 | 0.055* | |
H224 | 1.3502 | 0.0139 | 0.5310 | 0.051* | |
H225 | 1.2628 | −0.0672 | 0.5834 | 0.046* | |
H226 | 1.1499 | −0.0331 | 0.6531 | 0.037* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Ru1 | 0.0205 (1) | 0.0189 (1) | 0.0230 (2) | 0.0000 | 0.0052 (1) | 0.0000 |
P1 | 0.0220 (3) | 0.0253 (4) | 0.0233 (4) | −0.0005 (3) | 0.0042 (3) | −0.0004 (3) |
P2 | 0.0251 (4) | 0.0213 (4) | 0.0272 (4) | −0.0016 (3) | 0.0064 (3) | 0.0017 (3) |
P3 | 0.0446 (7) | 0.0299 (6) | 0.0424 (7) | 0.0075 (5) | 0.0047 (5) | 0.0069 (5) |
F1 | 0.108 (2) | 0.036 (1) | 0.125 (2) | 0.014 (1) | 0.041 (2) | −0.011 (1) |
F2 | 0.068 (1) | 0.073 (1) | 0.064 (1) | −0.006 (1) | 0.024 (1) | 0.016 (1) |
F3 | 0.070 (1) | 0.118 (2) | 0.055 (1) | 0.001 (1) | −0.014 (1) | 0.019 (1) |
O1 | 0.026 (1) | 0.0215 (9) | 0.031 (1) | −0.0001 (7) | 0.0080 (8) | 0.0012 (8) |
O2 | 0.070 (2) | 0.091 (2) | 0.130 (3) | 0.005 (2) | 0.018 (2) | −0.041 (2) |
C1 | 0.026 (2) | 0.025 (2) | 0.028 (2) | 0.0000 | 0.003 (2) | 0.0000 |
C2 | 0.042 (2) | 0.024 (2) | 0.059 (3) | 0.0000 | 0.020 (2) | 0.0000 |
C3 | 0.099 (4) | 0.088 (3) | 0.083 (3) | 0.020 (3) | −0.008 (3) | −0.026 (2) |
C101 | 0.027 (1) | 0.036 (2) | 0.027 (1) | 0.001 (1) | 0.004 (1) | 0.005 (1) |
C111 | 0.031 (1) | 0.028 (1) | 0.024 (1) | 0.000 (1) | 0.000 (1) | −0.003 (1) |
C112 | 0.033 (2) | 0.038 (2) | 0.035 (2) | −0.001 (1) | 0.006 (1) | −0.008 (1) |
C113 | 0.049 (2) | 0.043 (2) | 0.037 (2) | 0.010 (1) | 0.009 (1) | −0.010 (1) |
C114 | 0.066 (2) | 0.032 (2) | 0.048 (2) | 0.001 (1) | 0.009 (2) | −0.013 (1) |
C115 | 0.059 (2) | 0.033 (2) | 0.064 (2) | −0.014 (2) | 0.014 (2) | −0.011 (2) |
C116 | 0.040 (2) | 0.032 (2) | 0.044 (2) | −0.005 (1) | 0.013 (1) | −0.007 (1) |
C121 | 0.023 (1) | 0.026 (1) | 0.027 (1) | −0.002 (1) | 0.003 (1) | −0.005 (1) |
C122 | 0.028 (1) | 0.033 (2) | 0.029 (1) | 0.001 (1) | 0.005 (1) | 0.000 (1) |
C123 | 0.031 (1) | 0.045 (2) | 0.039 (2) | −0.001 (1) | 0.012 (1) | 0.002 (1) |
C124 | 0.025 (2) | 0.055 (2) | 0.050 (2) | 0.005 (1) | 0.009 (1) | −0.001 (1) |
C125 | 0.031 (1) | 0.047 (2) | 0.043 (2) | 0.009 (1) | 0.000 (1) | 0.006 (1) |
C126 | 0.030 (1) | 0.035 (2) | 0.033 (2) | 0.002 (1) | 0.003 (1) | 0.002 (1) |
C201 | 0.029 (1) | 0.028 (1) | 0.029 (1) | 0.001 (1) | 0.008 (1) | 0.008 (1) |
C211 | 0.037 (1) | 0.025 (1) | 0.031 (1) | −0.007 (1) | 0.013 (1) | 0.000 (1) |
C212 | 0.040 (2) | 0.028 (1) | 0.058 (2) | −0.001 (1) | 0.009 (2) | 0.000 (1) |
C213 | 0.064 (2) | 0.022 (2) | 0.081 (3) | −0.006 (1) | 0.019 (2) | −0.004 (2) |
C214 | 0.076 (2) | 0.039 (2) | 0.055 (2) | −0.028 (2) | 0.017 (2) | −0.011 (2) |
C215 | 0.062 (2) | 0.048 (2) | 0.039 (2) | −0.028 (2) | 0.000 (2) | 0.003 (1) |
C216 | 0.048 (2) | 0.035 (2) | 0.037 (2) | −0.012 (1) | 0.003 (1) | 0.009 (1) |
C221 | 0.025 (1) | 0.030 (1) | 0.025 (1) | 0.000 (1) | 0.003 (1) | 0.003 (1) |
C222 | 0.043 (2) | 0.030 (2) | 0.050 (2) | −0.001 (1) | 0.021 (1) | 0.007 (1) |
C223 | 0.048 (2) | 0.046 (2) | 0.051 (2) | −0.006 (2) | 0.027 (2) | 0.007 (2) |
C224 | 0.039 (2) | 0.052 (2) | 0.041 (2) | 0.000 (1) | 0.022 (1) | −0.004 (1) |
C225 | 0.038 (2) | 0.038 (2) | 0.041 (2) | 0.001 (1) | 0.014 (1) | −0.008 (1) |
C226 | 0.030 (2) | 0.031 (1) | 0.031 (1) | −0.005 (1) | 0.007 (1) | −0.001 (1) |
Geometric parameters (Å, º) top
Ru1—P1 | 2.3787 (6) | C114—C115 | 1.369 (4) |
Ru1—P1i | 2.3787 (6) | C114—H114 | 0.95 |
Ru1—P2 | 2.3075 (7) | C115—C116 | 1.391 (4) |
Ru1—P2i | 2.3075 (7) | C115—H115 | 0.95 |
Ru1—O1 | 2.190 (2) | C116—H116 | 0.95 |
Ru1—O1i | 2.190 (2) | C121—C122 | 1.398 (4) |
P1—C101 | 1.828 (3) | C121—C126 | 1.394 (4) |
P1—C111 | 1.835 (3) | C122—C123 | 1.378 (4) |
P1—C121 | 1.819 (2) | C122—H122 | 0.95 |
P2—C201 | 1.847 (2) | C123—C124 | 1.387 (4) |
P2—C211 | 1.833 (3) | C123—H123 | 0.95 |
P2—C221 | 1.847 (3) | C124—C125 | 1.373 (4) |
P3—F1 | 1.574 (2) | C124—H124 | 0.95 |
P3—F1ii | 1.574 (2) | C125—C126 | 1.396 (4) |
P3—F2 | 1.592 (2) | C125—H125 | 0.95 |
P3—F2ii | 1.592 (2) | C126—H126 | 0.95 |
P3—F3 | 1.579 (2) | C201—H201b | 0.95 |
P3—F3ii | 1.579 (2) | C201—H210a | 0.95 |
O1—C1 | 1.268 (2) | C211—C212 | 1.378 (4) |
O2—C3 | 1.371 (5) | C211—C216 | 1.393 (4) |
O2—H4 | 0.97 | C212—C213 | 1.391 (4) |
C1—C2 | 1.495 (5) | C212—H212 | 0.95 |
C2—H1c | 0.95 | C213—C214 | 1.373 (5) |
C2—H1ci | 0.95 | C213—H213 | 0.95 |
C2—H1a | 0.95 | C214—C215 | 1.366 (5) |
C2—H1ai | 0.95 | C214—H214 | 0.95 |
C2—H1b | 0.95 | C215—C216 | 1.385 (4) |
C2—H1bi | 0.95 | C215—H215 | 0.95 |
C3—H3c | 0.95 | C216—H216 | 0.95 |
C3—H3a | 0.95 | C221—C222 | 1.390 (4) |
C3—H3b | 0.95 | C221—C226 | 1.385 (4) |
C101—C201 | 1.522 (4) | C222—C223 | 1.384 (4) |
C101—H101a | 0.95 | C222—H222 | 0.95 |
C101—H101b | 0.95 | C223—C224 | 1.370 (4) |
C111—C112 | 1.393 (4) | C223—H223 | 0.95 |
C111—C116 | 1.387 (4) | C224—C225 | 1.379 (4) |
C112—C113 | 1.380 (4) | C224—H224 | 0.95 |
C112—H112 | 0.95 | C225—C226 | 1.385 (4) |
C113—C114 | 1.373 (4) | C225—H225 | 0.95 |
C113—H113 | 0.95 | C226—H226 | 0.95 |
F1···C225iii | 3.388 (4) | F3···O2 | 3.166 (4) |
F1···C101ii | 3.500 (4) | F3···C201 | 3.199 (3) |
F2···O2 | 3.055 (4) | F3···C215i | 3.344 (4) |
F2···C126ii | 3.307 (3) | F3···C3 | 3.562 (5) |
F2···C215iv | 3.328 (4) | F3···C214i | 3.596 (4) |
F2···C125ii | 3.363 (4) | O2···C114v | 3.346 (4) |
P1—Ru1—P1i | 171.71 (3) | H101a—C101—H101b | 109.5 |
P1—Ru1—P2 | 82.77 (2) | P1—C111—C112 | 120.3 (2) |
P1—Ru1—P2i | 103.19 (2) | P1—C111—C116 | 121.7 (2) |
P1—Ru1—O1 | 84.56 (5) | C112—C111—C116 | 117.9 (2) |
P1—Ru1—O1i | 88.24 (5) | C111—C112—C113 | 121.2 (3) |
P1i—Ru1—P2 | 103.19 (2) | C111—C112—H112 | 119.4 |
P1i—Ru1—P2i | 82.77 (2) | C113—C112—H112 | 119.4 |
P1i—Ru1—O1 | 88.24 (5) | C112—C113—C114 | 120.2 (3) |
P1i—Ru1—O1i | 84.56 (5) | C112—C113—H113 | 119.9 |
P2—Ru1—P2i | 90.07 (3) | C114—C113—H113 | 119.9 |
P2—Ru1—O1 | 161.24 (5) | C113—C114—C115 | 119.7 (3) |
P2—Ru1—O1i | 106.29 (5) | C113—C114—H114 | 120.1 |
P2i—Ru1—O1 | 106.29 (5) | C115—C114—H114 | 120.2 |
P2i—Ru1—O1i | 161.24 (5) | C114—C115—C116 | 120.5 (3) |
O1—Ru1—O1i | 59.45 (9) | C114—C115—H115 | 119.7 |
Ru1—P1—C101 | 108.96 (8) | C116—C115—H115 | 119.7 |
Ru1—P1—C111 | 115.02 (8) | C111—C116—C115 | 120.6 (3) |
Ru1—P1—C121 | 117.07 (8) | C111—C116—H116 | 119.7 |
C101—P1—C111 | 104.8 (1) | C115—C116—H116 | 119.7 |
C101—P1—C121 | 107.6 (1) | P1—C121—C122 | 117.0 (2) |
C111—P1—C121 | 102.5 (1) | P1—C121—C126 | 124.0 (2) |
Ru1—P2—C201 | 107.03 (8) | C122—C121—C126 | 118.9 (2) |
Ru1—P2—C211 | 127.21 (9) | C121—C122—C123 | 121.0 (2) |
Ru1—P2—C221 | 116.68 (9) | C121—C122—H122 | 119.5 |
C201—P2—C211 | 102.3 (1) | C123—C122—H122 | 119.5 |
C201—P2—C221 | 99.3 (1) | C122—C123—C124 | 119.7 (3) |
C211—P2—C221 | 100.2 (1) | C122—C123—H123 | 120.1 |
F1—P3—F1ii | 180.00 | C124—C123—H123 | 120.1 |
F1—P3—F2 | 90.2 (1) | C123—C124—C125 | 120.1 (3) |
F1—P3—F2ii | 89.8 (1) | C123—C124—H124 | 119.9 |
F1—P3—F3 | 90.5 (1) | C125—C124—H124 | 119.9 |
F1—P3—F3ii | 89.5 (1) | C124—C125—C126 | 120.7 (3) |
F1ii—P3—F2 | 89.8 (1) | C124—C125—H125 | 119.6 |
F1ii—P3—F2ii | 90.2 (1) | C126—C125—H125 | 119.6 |
F1ii—P3—F3 | 89.5 (1) | C121—C126—C125 | 119.5 (3) |
F1ii—P3—F3ii | 90.5 (1) | C121—C126—H126 | 120.2 |
F2—P3—F2ii | 180.00 | C125—C126—H126 | 120.2 |
F2—P3—F3 | 89.2 (1) | P2—C201—C101 | 108.6 (2) |
F2—P3—F3ii | 90.8 (1) | P2—C201—H201b | 109.7 |
F2ii—P3—F3 | 90.8 (1) | P2—C201—H210a | 109.7 |
F2ii—P3—F3ii | 89.2 (1) | C101—C201—H201b | 109.7 |
F3—P3—F3ii | 180.00 | C101—C201—H210a | 109.7 |
Ru1—O1—C1 | 91.4 (2) | H201b—C201—H210a | 109.5 |
C3—O2—H4 | 102.0 | P2—C211—C212 | 123.2 (2) |
O1—C1—O1i | 117.8 (3) | P2—C211—C216 | 118.6 (2) |
O1—C1—C2 | 121.1 (2) | C212—C211—C216 | 118.2 (3) |
O1i—C1—C2 | 121.1 (2) | C211—C212—C213 | 120.6 (3) |
C1—C2—H1c | 109.5 | C211—C212—H212 | 119.7 |
C1—C2—H1ci | 109.5 | C213—C212—H212 | 119.7 |
C1—C2—H1a | 109.5 | C212—C213—C214 | 120.4 (3) |
C1—C2—H1ai | 109.5 | C212—C213—H213 | 119.8 |
C1—C2—H1b | 109.5 | C214—C213—H213 | 119.8 |
C1—C2—H1bi | 109.5 | C213—C214—C215 | 119.7 (3) |
H1c—C2—H1ci | 141.1 | C213—C214—H214 | 120.1 |
H1c—C2—H1a | 109.5 | C215—C214—H214 | 120.1 |
H1c—C2—H1ai | 56.3 | C214—C215—C216 | 120.2 (3) |
H1c—C2—H1b | 109.5 | C214—C215—H215 | 119.9 |
H1c—C2—H1bi | 56.3 | C216—C215—H215 | 119.9 |
H1ci—C2—H1a | 56.3 | C211—C216—C215 | 120.8 (3) |
H1ci—C2—H1ai | 109.5 | C211—C216—H216 | 119.6 |
H1ci—C2—H1b | 56.3 | C215—C216—H216 | 119.6 |
H1ci—C2—H1bi | 109.5 | P2—C221—C222 | 120.1 (2) |
H1a—C2—H1ai | 141.1 | P2—C221—C226 | 121.3 (2) |
H1a—C2—H1b | 109.5 | C222—C221—C226 | 118.3 (2) |
H1a—C2—H1bi | 56.3 | C221—C222—C223 | 120.7 (3) |
H1ai—C2—H1b | 56.3 | C221—C222—H222 | 119.6 |
H1ai—C2—H1bi | 109.5 | C223—C222—H222 | 119.6 |
H1b—C2—H1bi | 141.1 | C222—C223—C224 | 120.4 (3) |
O2—C3—H3c | 109.5 | C222—C223—H223 | 119.8 |
O2—C3—H3a | 109.5 | C224—C223—H223 | 119.8 |
O2—C3—H3b | 109.5 | C223—C224—C225 | 119.7 (3) |
H3c—C3—H3a | 109.5 | C223—C224—H224 | 120.2 |
H3c—C3—H3b | 109.5 | C225—C224—H224 | 120.2 |
H3a—C3—H3b | 109.5 | C224—C225—C226 | 120.2 (3) |
P1—C101—C201 | 108.4 (2) | C224—C225—H225 | 119.9 |
P1—C101—H101a | 109.7 | C226—C225—H225 | 119.9 |
P1—C101—H101b | 109.7 | C221—C226—C225 | 120.8 (2) |
C201—C101—H101a | 109.7 | C221—C226—H226 | 119.6 |
C201—C101—H101b | 109.7 | C225—C226—H226 | 119.6 |
Ru1—P1—C101—C201 | −33.5 (2) | O1—Ru1—P1—C111 | −45.4 (1) |
Ru1—P1—C111—C112 | −72.7 (2) | O1—Ru1—P1—C121 | 75.0 (1) |
Ru1—P1—C111—C116 | 103.4 (2) | O1—Ru1—P1i—C101i | −103.2 (1) |
Ru1—P1—C121—C122 | −44.3 (2) | O1—Ru1—P1i—C111i | 14.1 (1) |
Ru1—P1—C121—C126 | 134.0 (2) | O1—Ru1—P1i—C121i | 134.5 (1) |
Ru1—P1i—C101i—C201i | −33.5 (2) | O1—Ru1—P2—C201 | 69.1 (2) |
Ru1—P1i—C111i—C112i | −72.7 (2) | O1—Ru1—P2—C211 | −170.1 (2) |
Ru1—P1i—C111i—C116i | 103.4 (2) | O1—Ru1—P2—C221 | −41.0 (2) |
Ru1—P1i—C121i—C122i | −44.3 (2) | O1—Ru1—P2i—C201i | 107.3 (1) |
Ru1—P1i—C121i—C126i | 134.0 (2) | O1—Ru1—P2i—C211i | −131.9 (1) |
Ru1—P2—C201—C101 | −49.0 (2) | O1—Ru1—P2i—C221i | −2.8 (1) |
Ru1—P2—C211—C212 | −112.6 (2) | O1—Ru1—O1i—C1 | 0.0000 (1) |
Ru1—P2—C211—C216 | 70.4 (2) | C101—P1—C111—C112 | 46.9 (2) |
Ru1—P2—C221—C222 | −174.1 (2) | C101—P1—C111—C116 | −137.0 (2) |
Ru1—P2—C221—C226 | 11.3 (2) | C101—P1—C121—C122 | −167.3 (2) |
Ru1—P2i—C201i—C101i | −49.0 (2) | C101—P1—C121—C126 | 11.0 (3) |
Ru1—P2i—C211i—C212i | −112.6 (2) | C101—C201—P2—C211 | 175.5 (2) |
Ru1—P2i—C211i—C216i | 70.4 (2) | C101—C201—P2—C221 | 72.7 (2) |
Ru1—P2i—C221i—C222i | −174.1 (2) | C111—P1—C101—C201 | −157.1 (2) |
Ru1—P2i—C221i—C226i | 11.3 (2) | C111—P1—C121—C122 | 82.6 (2) |
Ru1—O1—C1—O1i | 0.0000 | C111—P1—C121—C126 | −99.1 (2) |
Ru1—O1—C1—C2 | 180.0000 (1) | C111—C112—C113—C114 | 0.2 (5) |
Ru1—O1i—C1—O1 | 0.0000 | C111—C116—C115—C114 | 1.1 (5) |
Ru1—O1i—C1—C2 | 180.0000 (1) | C112—C111—P1—C121 | 159.1 (2) |
P1—Ru1—P1i—C101i | −132.90 (9) | C112—C111—C116—C115 | −0.8 (4) |
P1—Ru1—P1i—C111i | −15.6 (1) | C112—C113—C114—C115 | 0.0 (5) |
P1—Ru1—P1i—C121i | 104.84 (9) | C113—C112—C111—C116 | 0.2 (4) |
P1—Ru1—P2—C201 | 21.29 (9) | C113—C114—C115—C116 | −0.6 (5) |
P1—Ru1—P2—C211 | 142.0 (1) | C116—C111—P1—C121 | −24.8 (3) |
P1—Ru1—P2—C221 | −88.81 (9) | C121—P1—C101—C201 | 94.3 (2) |
P1—Ru1—P2i—C201i | −164.58 (9) | C121—C122—C123—C124 | −0.3 (4) |
P1—Ru1—P2i—C211i | −43.8 (1) | C121—C126—C125—C124 | −0.8 (4) |
P1—Ru1—P2i—C221i | 85.32 (9) | C122—C121—C126—C125 | 1.4 (4) |
P1—Ru1—O1—C1 | 91.16 (8) | C122—C123—C124—C125 | 1.0 (5) |
P1—Ru1—O1i—C1 | −84.72 (8) | C123—C122—C121—C126 | −0.9 (4) |
P1—C101—C201—P2 | 52.3 (2) | C123—C124—C125—C126 | −0.4 (5) |
P1—C111—C112—C113 | 176.4 (2) | C201—P2—C211—C212 | 10.1 (3) |
P1—C111—C116—C115 | −177.0 (2) | C201—P2—C211—C216 | −166.8 (2) |
P1—C121—C122—C123 | 177.5 (2) | C201—P2—C221—C222 | 71.4 (2) |
P1—C121—C126—C125 | −176.8 (2) | C201—P2—C221—C226 | −103.2 (2) |
P2—Ru1—P1—C101 | 3.44 (9) | C211—P2—C221—C222 | −33.0 (2) |
P2—Ru1—P1—C111 | 120.8 (1) | C211—P2—C221—C226 | 152.5 (2) |
P2—Ru1—P1—C121 | −118.8 (1) | C211—C212—C213—C214 | −0.4 (5) |
P2—Ru1—P1i—C101i | 91.80 (9) | C211—C216—C215—C214 | −1.6 (5) |
P2—Ru1—P1i—C111i | −150.9 (1) | C212—C211—P2—C221 | 112.1 (2) |
P2—Ru1—P1i—C121i | −30.5 (1) | C212—C211—C216—C215 | 2.0 (4) |
P2—Ru1—P2i—C201i | −82.00 (9) | C212—C213—C214—C215 | 0.7 (5) |
P2—Ru1—P2i—C211i | 38.8 (1) | C213—C212—C211—C216 | −1.0 (4) |
P2—Ru1—P2i—C221i | 167.9 (1) | C213—C214—C215—C216 | 0.3 (5) |
P2—Ru1—O1—C1 | 43.5 (2) | C216—C211—P2—C221 | −64.8 (2) |
P2—Ru1—O1i—C1 | −166.66 (7) | C221—C222—C223—C224 | −0.7 (5) |
P2—C211—C212—C213 | −177.9 (2) | C221—C226—C225—C224 | −0.2 (4) |
P2—C211—C216—C215 | 179.1 (2) | C222—C221—C226—C225 | −0.3 (4) |
P2—C221—C222—C223 | −173.9 (2) | C222—C223—C224—C225 | 0.2 (5) |
P2—C221—C226—C225 | 174.3 (2) | C223—C222—C221—C226 | 0.8 (4) |
O1—Ru1—P1—C101 | −162.7 (1) | C223—C224—C225—C226 | 0.3 (5) |
Symmetry codes: (i) −x+2, y, −z+3/2; (ii) −x+3/2, −y+1/2, −z+1; (iii) x−1/2, y+1/2, z; (iv) x−1/2, −y+1/2, z−1/2; (v) −x+2, −y, −z+1. |
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