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metal-organic compounds
The title compound, [RuCl(C25H22P2)2(H2O)]PF6·1.73CH4O, contains a pseudo-octahedral ruthenium complex cation with two bidentate diphosphine ligands and cis-disposed chloro and aqua ligands, together with a disordered hexafluorophosphate anion and disordered methanol solvent molecules. Identification as an aquaruthenium(II) complex rather than a hydroxoruthenium(III) complex was confirmed by cyclic voltammetry.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804016253/cf6366sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804016253/cf6366Isup2.hkl |
CCDC reference: 248735
Key indicators
- Single-crystal X-ray study
- T = 200 K
- Mean (C-C) = 0.007 Å
- H-atom completeness 84%
- Disorder in solvent or counterion
- R factor = 0.032
- wR factor = 0.036
- Data-to-parameter ratio = 13.4
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) ..... 20 Ang. PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) ..... 20 Ang. PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.12 Ratio PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C10 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C47 PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors .... P5 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 44.00 Perc. PLAT309_ALERT_2_C Single Bonded Oxygen (C-O .GT. 1.3 Ang) ........ O2 PLAT309_ALERT_2_C Single Bonded Oxygen (C-O .GT. 1.3 Ang) ........ O3 PLAT309_ALERT_2_C Single Bonded Oxygen (C-O .GT. 1.3 Ang) ........ O21 PLAT431_ALERT_2_C Short Inter HL..A Contact F3 .. O3 .. 2.96 Ang. PLAT431_ALERT_2_C Short Inter HL..A Contact F21 .. O21 .. 2.92 Ang. PLAT731_ALERT_1_C Bond Calc 2.4655(19), Rep 2.4656(8) ...... 2.38 su-Rat RU1 -CL1 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 2.3028(17), Rep 2.3028(8) ...... 2.12 su-Rat RU1 -P2 1.555 1.555
Alert level G FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C51.73 H52.92 Cl1 F6 O2.73 P5 Ru Atom count from the _atom_site data: C51.73 H44 Cl1 F6 O2.73 P5 Ru1 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional? From the CIF: _cell_formula_units_Z 4 From the CIF: _chemical_formula_sum C51.73 H52.92 Cl1 F6 O2.73 P5 Ru1 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 206.92 206.92 0.00 H 211.68 176.00 35.68 Cl 4.00 4.00 0.00 F 24.00 24.00 0.00 O 10.92 10.92 0.00 P 20.00 20.00 0.00 Ru 4.00 4.00 0.00 REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 27.49 From the CIF: _reflns_number_total 11446 Count of symmetry unique reflns 5827 Completeness (_total/calc) 196.43% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 5619 Fraction of Friedel pairs measured 0.964 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 18 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion
Computing details top
Data collection: COLLECT (Nonius, 1997); cell refinement: DENZO/SCALEPACK; data reduction: DENZO/SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: CRYSTALS (Watkin et al., 2001); molecular graphics: ORTEPII (Johnson, 1976) in TEXSAN (MSC, 1992–1997); software used to prepare material for publication: CRYSTALS.
(I) top
Crystal data top
[RuCl(C25H22P2)2(H2O)]PF6·1.73CH4O | F(000) = 2300.6 |
Mr = 1123.67 | Dx = 1.474 Mg m−3 |
Monoclinic, Cc | Mo Kα radiation, λ = 0.71073 Å |
a = 20.4427 (2) Å | Cell parameters from 50753 reflections |
b = 12.7593 (2) Å | θ = 3–27° |
c = 21.0262 (2) Å | µ = 0.58 mm−1 |
β = 112.6186 (7)° | T = 200 K |
V = 5062.53 (11) Å3 | Block, green |
Z = 4 | 0.30 × 0.26 × 0.17 mm |
Data collection top
Nonius KappaCCD diffractometer | 8523 reflections with I > 3σ(I) |
Graphite monochromator | Rint = 0.05 |
φ and ω scans | θmax = 27.5°, θmin = 4.1° |
Absorption correction: integration [Coppens (1970); implemented in maXus (Mackay et al., 2000)] | h = −26→26 |
Tmin = 0.883, Tmax = 0.957 | k = −16→16 |
50753 measured reflections | l = −27→27 |
11446 independent reflections |
Refinement top
Refinement on F | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.032 | Chebychev polynomial with 5 parameters: 0.771, 0.341, 0.66, 0.079, 0.197 (Carruthers & Watkin, 1979) |
wR(F2) = 0.036 | (Δ/σ)max = 0.019 |
S = 1.05 | Δρmax = 0.69 e Å−3 |
8523 reflections | Δρmin = −1.37 e Å−3 |
637 parameters | Absolute structure: Flack (1983), 5819 Friedel pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: −0.02 (2) |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Ru1 | 0.26440 (5) | 0.75092 (2) | 0.63884 (5) | 0.0310 | |
Cl1 | 0.13507 (7) | 0.75323 (9) | 0.60706 (7) | 0.0466 | |
P1 | 0.25279 (7) | 0.71516 (9) | 0.52558 (6) | 0.0354 | |
P2 | 0.37561 (6) | 0.73290 (7) | 0.63668 (6) | 0.0307 | |
P3 | 0.29001 (6) | 0.80203 (8) | 0.75502 (6) | 0.0324 | |
P4 | 0.27368 (7) | 0.93153 (7) | 0.64608 (6) | 0.0344 | |
P5 | 0.42852 (7) | 0.1815 (1) | 0.88069 (7) | 0.0498 | |
F1 | 0.45721 (19) | 0.0809 (3) | 0.8562 (2) | 0.0943 | |
F2 | 0.3510 (2) | 0.1443 (6) | 0.8376 (4) | 0.1177 | 0.730 (5) |
F3 | 0.4303 (3) | 0.2351 (4) | 0.8130 (3) | 0.1061 | 0.730 (5) |
F4 | 0.3976 (2) | 0.2802 (3) | 0.9041 (3) | 0.1116 | |
F5 | 0.5076 (2) | 0.2195 (4) | 0.9201 (3) | 0.0861 | 0.730 (5) |
F6 | 0.4270 (5) | 0.1296 (6) | 0.9464 (3) | 0.1401 | 0.730 (5) |
F21 | 0.3759 (12) | 0.2151 (15) | 0.8096 (9) | 0.121 (6)* | 0.270 (5) |
F31 | 0.4795 (9) | 0.2668 (12) | 0.876 (1) | 0.105 (5)* | 0.270 (5) |
F51 | 0.4792 (11) | 0.1522 (16) | 0.954 (1) | 0.126 (6)* | 0.270 (5) |
F61 | 0.3700 (8) | 0.1009 (11) | 0.8896 (9) | 0.093 (4)* | 0.270 (5) |
O1 | 0.24859 (17) | 0.5835 (3) | 0.65252 (16) | 0.0628 | |
O2 | 0.2501 (3) | 0.4671 (5) | 0.7721 (2) | 0.0888 | 0.730 (5) |
O3 | 0.2883 (4) | 0.3052 (6) | 0.7176 (4) | 0.1337 | 0.730 (5) |
O21 | 0.2959 (9) | 0.4097 (13) | 0.7673 (8) | 0.0886* | 0.270 (5) |
C1 | 0.19871 (19) | 0.7787 (3) | 0.44520 (17) | 0.0378 | |
C2 | 0.12803 (19) | 0.8004 (4) | 0.43093 (19) | 0.0449 | |
C3 | 0.0848 (2) | 0.8404 (4) | 0.3666 (2) | 0.0496 | |
C4 | 0.1123 (2) | 0.8580 (3) | 0.31676 (18) | 0.0479 | |
C5 | 0.1829 (2) | 0.8375 (3) | 0.3313 (2) | 0.0483 | |
C6 | 0.2265 (2) | 0.7987 (3) | 0.39515 (19) | 0.0453 | |
C7 | 0.2369 (2) | 0.5763 (3) | 0.50377 (18) | 0.0463 | |
C8 | 0.1692 (3) | 0.5376 (4) | 0.4866 (2) | 0.0686 | |
C9 | 0.1561 (4) | 0.4293 (6) | 0.4762 (3) | 0.0904 | |
C10 | 0.2101 (5) | 0.3617 (6) | 0.4838 (4) | 0.1081 | |
C11 | 0.2779 (4) | 0.3978 (5) | 0.5013 (4) | 0.0939 | |
C12 | 0.2916 (3) | 0.5048 (4) | 0.5102 (3) | 0.0647 | |
C13 | 0.45024 (17) | 0.8226 (3) | 0.67008 (18) | 0.0347 | |
C14 | 0.48043 (19) | 0.8396 (3) | 0.74061 (19) | 0.0434 | |
C15 | 0.5397 (2) | 0.9048 (4) | 0.7693 (2) | 0.0593 | |
C16 | 0.5685 (2) | 0.9501 (4) | 0.7267 (3) | 0.0617 | |
C17 | 0.5398 (2) | 0.9331 (4) | 0.6563 (3) | 0.0603 | |
C18 | 0.48029 (19) | 0.8696 (3) | 0.6279 (2) | 0.0437 | |
C19 | 0.42303 (18) | 0.6076 (3) | 0.65970 (18) | 0.0388 | |
C20 | 0.4208 (2) | 0.5485 (3) | 0.7132 (2) | 0.0534 | |
C21 | 0.4606 (3) | 0.4531 (4) | 0.7309 (3) | 0.0713 | |
C22 | 0.5017 (2) | 0.4243 (4) | 0.6959 (3) | 0.0655 | |
C23 | 0.5067 (3) | 0.4835 (4) | 0.6439 (3) | 0.0650 | |
C24 | 0.4676 (2) | 0.5767 (3) | 0.6261 (2) | 0.0508 | |
C25 | 0.36338 (18) | 0.7559 (3) | 0.83278 (16) | 0.0360 | |
C26 | 0.3658 (2) | 0.6504 (3) | 0.84897 (19) | 0.0452 | |
C27 | 0.4174 (2) | 0.6125 (4) | 0.9103 (2) | 0.0548 | |
C28 | 0.4666 (2) | 0.6815 (4) | 0.9544 (2) | 0.0538 | |
C29 | 0.46459 (19) | 0.7853 (4) | 0.93869 (19) | 0.0519 | |
C30 | 0.41343 (19) | 0.8240 (3) | 0.87792 (19) | 0.0429 | |
C31 | 0.22130 (17) | 0.8095 (3) | 0.78991 (16) | 0.0345 | |
C32 | 0.17114 (19) | 0.7292 (3) | 0.77658 (19) | 0.0394 | |
C33 | 0.1229 (2) | 0.7288 (3) | 0.8082 (2) | 0.0499 | |
C34 | 0.1232 (2) | 0.8084 (4) | 0.8528 (2) | 0.0494 | |
C35 | 0.1721 (2) | 0.8889 (4) | 0.8665 (2) | 0.0509 | |
C36 | 0.2211 (2) | 0.8891 (3) | 0.83526 (19) | 0.0460 | |
C37 | 0.33177 (18) | 1.0140 (3) | 0.61955 (18) | 0.0384 | |
C38 | 0.3197 (2) | 1.0218 (3) | 0.5499 (2) | 0.0466 | |
C39 | 0.3605 (3) | 1.0885 (4) | 0.5277 (2) | 0.0599 | |
C40 | 0.4131 (3) | 1.1484 (4) | 0.5748 (3) | 0.0626 | |
C41 | 0.4253 (3) | 1.1421 (3) | 0.6438 (2) | 0.0579 | |
C42 | 0.3848 (2) | 1.0757 (3) | 0.6662 (2) | 0.0451 | |
C43 | 0.1959 (2) | 1.0165 (3) | 0.6168 (2) | 0.0445 | |
C44 | 0.1468 (2) | 1.0059 (4) | 0.5498 (2) | 0.0557 | |
C45 | 0.0936 (2) | 1.0812 (4) | 0.5217 (3) | 0.0647 | |
C46 | 0.0890 (3) | 1.1636 (5) | 0.5614 (3) | 0.0785 | |
C47 | 0.1368 (4) | 1.1748 (6) | 0.6272 (3) | 0.1040 | |
C48 | 0.1908 (3) | 1.1018 (5) | 0.6546 (3) | 0.0806 | |
C49 | 0.34575 (17) | 0.7418 (3) | 0.54153 (16) | 0.0355 | |
C50 | 0.3117 (2) | 0.9368 (3) | 0.74060 (18) | 0.0402 | |
C51 | 0.2482 (4) | 0.4568 (7) | 0.8418 (3) | 0.0761 | 0.730 (5) |
C52 | 0.2833 (6) | 0.3158 (7) | 0.6486 (6) | 0.1098 | 0.730 (5) |
C511 | 0.2562 (12) | 0.420 (2) | 0.8134 (12) | 0.0763* | 0.270 (5) |
H21 | 0.10797 | 0.7875 | 0.46674 | 0.0528* | |
H31 | 0.0339 | 0.8564 | 0.3566 | 0.0565* | |
H41 | 0.0811 | 0.8854 | 0.27042 | 0.0540* | |
H51 | 0.2028 | 0.8508 | 0.2954 | 0.0592* | |
H61 | 0.2777 | 0.7850 | 0.40537 | 0.0556* | |
H81 | 0.1293 | 0.5867 | 0.4815 | 0.0775* | |
H91 | 0.1068 | 0.4018 | 0.4632 | 0.0990* | |
H101 | 0.2003 | 0.2850 | 0.4766 | 0.1245* | |
H111 | 0.3174 | 0.3475 | 0.5075 | 0.1093* | |
H121 | 0.3409 | 0.5312 | 0.5214 | 0.0777* | |
H141 | 0.45968 | 0.8051 | 0.77127 | 0.0510* | |
H151 | 0.5608 | 0.9182 | 0.8200 | 0.0652* | |
H161 | 0.6111 | 0.9963 | 0.7469 | 0.0714* | |
H171 | 0.5617 | 0.9661 | 0.6261 | 0.0735* | |
H181 | 0.45896 | 0.8577 | 0.5770 | 0.0527* | |
H201 | 0.3917 | 0.5717 | 0.7395 | 0.0604* | |
H211 | 0.4582 | 0.4078 | 0.7688 | 0.0760* | |
H221 | 0.5291 | 0.3574 | 0.7088 | 0.0707* | |
H231 | 0.5375 | 0.4610 | 0.6192 | 0.0721* | |
H241 | 0.4714 | 0.6220 | 0.5888 | 0.0593* | |
H261 | 0.3305 | 0.6010 | 0.81674 | 0.0517* | |
H271 | 0.4188 | 0.5364 | 0.9222 | 0.0650* | |
H281 | 0.5038 | 0.6547 | 0.9980 | 0.0629* | |
H291 | 0.50012 | 0.8342 | 0.97105 | 0.0601* | |
H301 | 0.41252 | 0.9002 | 0.86663 | 0.0512* | |
H321 | 0.17011 | 0.6716 | 0.74393 | 0.0476* | |
H331 | 0.0877 | 0.6705 | 0.7987 | 0.0604* | |
H341 | 0.0880 | 0.8080 | 0.8752 | 0.0625* | |
H351 | 0.1723 | 0.9467 | 0.8986 | 0.0636* | |
H361 | 0.2566 | 0.9470 | 0.84551 | 0.0550* | |
H381 | 0.2813 | 0.9790 | 0.5155 | 0.0565* | |
H391 | 0.3516 | 1.0930 | 0.4776 | 0.0753* | |
H401 | 0.4423 | 1.1963 | 0.5588 | 0.0794* | |
H411 | 0.4635 | 1.1856 | 0.6779 | 0.0726* | |
H421 | 0.3938 | 1.0720 | 0.7164 | 0.0561* | |
H441 | 0.1494 | 0.9443 | 0.5214 | 0.0632* | |
H451 | 0.0591 | 1.0748 | 0.4729 | 0.0760* | |
H461 | 0.0501 | 1.2162 | 0.5418 | 0.0963* | |
H471 | 0.1331 | 1.2355 | 0.6558 | 0.1242* | |
H481 | 0.2265 | 1.1114 | 0.7026 | 0.0943* | |
H491 | 0.35338 | 0.8127 | 0.52531 | 0.0417* | |
H492 | 0.36756 | 0.6873 | 0.52166 | 0.0417* | |
H501 | 0.2878 | 0.9898 | 0.75934 | 0.0479* | |
H502 | 0.3639 | 0.9503 | 0.75973 | 0.0479* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Ru1 | 0.0226 (1) | 0.04559 (12) | 0.0223 (1) | −0.00268 (11) | 0.00584 (7) | 0.00300 (11) |
Cl1 | 0.0248 (4) | 0.0782 (7) | 0.0324 (4) | −0.0018 (4) | 0.0062 (3) | 0.0099 (4) |
P1 | 0.0273 (4) | 0.0538 (6) | 0.0225 (4) | −0.0040 (4) | 0.0066 (3) | 0.0011 (4) |
P2 | 0.0227 (4) | 0.0413 (5) | 0.0267 (4) | −0.0014 (3) | 0.0080 (3) | 0.0007 (3) |
P3 | 0.0275 (4) | 0.0439 (6) | 0.0238 (4) | −0.0007 (4) | 0.0075 (3) | 0.0032 (4) |
P4 | 0.0308 (4) | 0.0456 (5) | 0.0268 (4) | 0.0030 (4) | 0.0109 (4) | 0.0057 (4) |
P5 | 0.0399 (5) | 0.0682 (7) | 0.0426 (5) | −0.0110 (5) | 0.0173 (4) | −0.0122 (5) |
F1 | 0.092 (2) | 0.086 (2) | 0.119 (3) | 0.0013 (18) | 0.056 (2) | −0.029 (2) |
F2 | 0.039 (2) | 0.163 (6) | 0.143 (5) | −0.039 (3) | 0.026 (3) | −0.092 (5) |
F3 | 0.115 (4) | 0.134 (5) | 0.080 (3) | 0.009 (3) | 0.049 (3) | 0.042 (3) |
F4 | 0.089 (3) | 0.094 (3) | 0.154 (4) | −0.001 (2) | 0.049 (3) | −0.052 (3) |
F5 | 0.040 (2) | 0.102 (3) | 0.104 (4) | −0.017 (2) | 0.014 (2) | −0.036 (3) |
F6 | 0.217 (8) | 0.163 (6) | 0.078 (4) | 0.005 (6) | 0.098 (5) | 0.034 (4) |
O1 | 0.0572 (18) | 0.070 (2) | 0.0505 (18) | −0.0158 (15) | 0.0088 (14) | 0.0081 (15) |
O2 | 0.109 (5) | 0.106 (5) | 0.049 (3) | −0.036 (4) | 0.028 (3) | 0.012 (3) |
O3 | 0.152 (7) | 0.123 (6) | 0.090 (5) | 0.032 (5) | 0.006 (5) | −0.021 (4) |
C1 | 0.0309 (17) | 0.056 (2) | 0.0260 (15) | −0.0039 (16) | 0.0103 (13) | −0.0020 (14) |
C2 | 0.0301 (17) | 0.068 (3) | 0.0340 (18) | −0.0032 (18) | 0.0093 (14) | 0.0002 (18) |
C3 | 0.0334 (19) | 0.071 (3) | 0.036 (2) | 0.0026 (18) | 0.0050 (16) | 0.0057 (18) |
C4 | 0.046 (2) | 0.058 (2) | 0.0311 (18) | 0.0023 (17) | 0.0052 (16) | 0.0095 (15) |
C5 | 0.055 (2) | 0.060 (2) | 0.0336 (18) | −0.0012 (19) | 0.0204 (17) | 0.0059 (17) |
C6 | 0.0383 (18) | 0.063 (2) | 0.0375 (19) | 0.0009 (18) | 0.0180 (16) | 0.0061 (17) |
C7 | 0.044 (2) | 0.060 (2) | 0.0296 (17) | −0.0112 (18) | 0.0084 (15) | −0.0047 (16) |
C8 | 0.058 (3) | 0.080 (3) | 0.056 (3) | −0.028 (2) | 0.009 (2) | −0.008 (2) |
C9 | 0.082 (4) | 0.093 (5) | 0.072 (3) | −0.048 (4) | 0.003 (3) | −0.015 (3) |
C10 | 0.142 (7) | 0.069 (4) | 0.100 (5) | −0.043 (5) | 0.032 (5) | −0.042 (4) |
C11 | 0.113 (5) | 0.057 (3) | 0.103 (4) | −0.012 (3) | 0.032 (4) | −0.036 (3) |
C12 | 0.070 (3) | 0.064 (3) | 0.061 (3) | −0.002 (2) | 0.025 (2) | −0.019 (2) |
C13 | 0.0238 (14) | 0.0403 (19) | 0.0381 (17) | 0.0012 (13) | 0.0099 (13) | −0.0003 (14) |
C14 | 0.0358 (18) | 0.052 (2) | 0.0401 (19) | −0.0015 (16) | 0.0116 (15) | −0.0016 (16) |
C15 | 0.041 (2) | 0.063 (3) | 0.059 (3) | −0.0078 (19) | 0.0028 (19) | −0.013 (2) |
C16 | 0.040 (2) | 0.056 (3) | 0.083 (3) | −0.0187 (19) | 0.016 (2) | −0.011 (2) |
C17 | 0.045 (2) | 0.060 (3) | 0.079 (3) | −0.013 (2) | 0.027 (2) | −0.002 (2) |
C18 | 0.0331 (17) | 0.051 (2) | 0.048 (2) | −0.0042 (16) | 0.0164 (16) | 0.0003 (17) |
C19 | 0.0324 (17) | 0.0411 (19) | 0.0345 (17) | −0.0025 (15) | 0.0034 (14) | −0.0003 (14) |
C20 | 0.038 (2) | 0.059 (3) | 0.054 (2) | −0.0011 (18) | 0.0075 (17) | 0.016 (2) |
C21 | 0.053 (3) | 0.067 (3) | 0.070 (3) | −0.009 (2) | −0.003 (2) | 0.032 (3) |
C22 | 0.050 (3) | 0.048 (3) | 0.078 (3) | 0.002 (2) | 0.003 (2) | −0.003 (2) |
C23 | 0.064 (3) | 0.063 (3) | 0.053 (2) | 0.017 (2) | 0.006 (2) | −0.006 (2) |
C24 | 0.048 (2) | 0.056 (3) | 0.044 (2) | 0.0161 (18) | 0.0133 (17) | 0.0022 (18) |
C25 | 0.0262 (15) | 0.061 (2) | 0.0208 (13) | 0.0000 (15) | 0.0086 (12) | −0.0006 (15) |
C26 | 0.0386 (19) | 0.055 (2) | 0.0352 (18) | −0.0001 (17) | 0.0072 (15) | 0.0093 (16) |
C27 | 0.044 (2) | 0.075 (3) | 0.043 (2) | 0.013 (2) | 0.0145 (18) | 0.023 (2) |
C28 | 0.0347 (19) | 0.094 (4) | 0.0284 (18) | 0.010 (2) | 0.0077 (15) | 0.010 (2) |
C29 | 0.0286 (17) | 0.093 (3) | 0.0284 (17) | 0.0003 (19) | 0.0049 (14) | −0.0012 (19) |
C30 | 0.0317 (18) | 0.063 (3) | 0.0337 (18) | 0.0015 (16) | 0.0118 (15) | 0.0001 (16) |
C31 | 0.0291 (15) | 0.045 (2) | 0.0274 (15) | 0.0040 (14) | 0.0082 (13) | 0.0051 (14) |
C32 | 0.0353 (17) | 0.047 (2) | 0.0363 (18) | 0.0004 (14) | 0.0149 (14) | 0.0022 (15) |
C33 | 0.043 (2) | 0.065 (3) | 0.043 (2) | −0.0060 (18) | 0.0182 (17) | 0.0069 (18) |
C34 | 0.043 (2) | 0.075 (3) | 0.038 (2) | 0.012 (2) | 0.0243 (17) | 0.0125 (19) |
C35 | 0.056 (2) | 0.059 (3) | 0.044 (2) | 0.010 (2) | 0.0263 (19) | 0.0017 (18) |
C36 | 0.045 (2) | 0.054 (2) | 0.0390 (19) | −0.0023 (17) | 0.0155 (16) | 0.0002 (16) |
C37 | 0.0356 (17) | 0.044 (2) | 0.0371 (17) | 0.0086 (15) | 0.0157 (14) | 0.0064 (15) |
C38 | 0.045 (2) | 0.056 (2) | 0.0405 (19) | 0.0019 (17) | 0.0180 (16) | 0.0116 (17) |
C39 | 0.068 (3) | 0.070 (3) | 0.051 (2) | −0.003 (2) | 0.032 (2) | 0.016 (2) |
C40 | 0.071 (3) | 0.057 (3) | 0.070 (3) | −0.011 (2) | 0.039 (2) | 0.009 (2) |
C41 | 0.067 (3) | 0.052 (3) | 0.062 (3) | −0.019 (2) | 0.034 (2) | −0.006 (2) |
C42 | 0.053 (2) | 0.042 (2) | 0.045 (2) | −0.0048 (17) | 0.0246 (18) | −0.0021 (16) |
C43 | 0.0324 (17) | 0.066 (2) | 0.0376 (18) | 0.0075 (17) | 0.0161 (15) | 0.0065 (18) |
C44 | 0.043 (2) | 0.074 (3) | 0.041 (2) | 0.010 (2) | 0.0062 (17) | 0.0096 (19) |
C45 | 0.043 (2) | 0.092 (4) | 0.055 (3) | 0.016 (2) | 0.0142 (19) | 0.026 (2) |
C46 | 0.061 (3) | 0.104 (4) | 0.075 (3) | 0.044 (3) | 0.032 (3) | 0.031 (3) |
C47 | 0.102 (5) | 0.136 (6) | 0.072 (4) | 0.070 (4) | 0.032 (4) | −0.001 (4) |
C48 | 0.076 (3) | 0.111 (4) | 0.049 (3) | 0.049 (3) | 0.017 (2) | −0.005 (3) |
C49 | 0.0268 (15) | 0.050 (2) | 0.0270 (15) | −0.0019 (14) | 0.0078 (12) | 0.0053 (15) |
C50 | 0.0394 (18) | 0.050 (2) | 0.0306 (16) | −0.0049 (16) | 0.0125 (14) | 0.0036 (15) |
C51 | 0.093 (5) | 0.089 (6) | 0.050 (4) | −0.011 (4) | 0.032 (4) | 0.012 (3) |
C52 | 0.129 (9) | 0.080 (6) | 0.104 (8) | 0.026 (5) | 0.027 (7) | −0.008 (5) |
Geometric parameters (Å, º) top
Ru1—Cl1 | 2.4656 (8) | C17—H171 | 1.000 |
Ru1—P1 | 2.345 (1) | C18—H181 | 1.000 |
Ru1—P2 | 2.3028 (8) | C19—C20 | 1.369 (5) |
Ru1—P3 | 2.3839 (9) | C19—C24 | 1.406 (5) |
Ru1—P4 | 2.312 (1) | C20—C21 | 1.432 (6) |
Ru1—O1 | 2.196 (3) | C20—H201 | 1.000 |
P1—C1 | 1.816 (4) | C21—C22 | 1.363 (7) |
P1—C7 | 1.827 (4) | C21—H211 | 1.000 |
P1—C49 | 1.830 (3) | C22—C23 | 1.364 (7) |
P2—C13 | 1.818 (3) | C22—H221 | 1.000 |
P2—C19 | 1.836 (4) | C23—C24 | 1.402 (7) |
P2—C49 | 1.857 (3) | C23—H231 | 1.000 |
P3—C25 | 1.839 (3) | C24—H241 | 1.000 |
P3—C31 | 1.820 (3) | C25—C26 | 1.385 (5) |
P3—C50 | 1.830 (4) | C25—C30 | 1.398 (5) |
P4—C37 | 1.827 (4) | C26—C27 | 1.401 (5) |
P4—C43 | 1.824 (4) | C26—H261 | 1.000 |
P4—C50 | 1.836 (3) | C27—C28 | 1.389 (6) |
P5—F1 | 1.578 (3) | C27—H271 | 1.000 |
P5—F2 | 1.567 (4) | C28—C29 | 1.362 (7) |
P5—F3 | 1.593 (4) | C28—H281 | 1.000 |
P5—F4 | 1.571 (4) | C29—C30 | 1.394 (5) |
P5—F5 | 1.582 (4) | C29—H291 | 1.000 |
P5—F6 | 1.542 (5) | C30—H301 | 1.000 |
P5—F21 | 1.529 (19) | C31—C32 | 1.399 (5) |
P5—F31 | 1.537 (16) | C31—C36 | 1.394 (5) |
P5—F51 | 1.53 (2) | C32—C33 | 1.385 (5) |
P5—F61 | 1.642 (15) | C32—H321 | 1.000 |
O2—C51 | 1.487 (6) | C33—C34 | 1.381 (6) |
O3—C52 | 1.422 (13) | C33—H331 | 1.000 |
O21—C511 | 1.49 (1) | C34—C35 | 1.384 (6) |
C1—C2 | 1.386 (5) | C34—H341 | 1.000 |
C1—C6 | 1.399 (5) | C35—C36 | 1.392 (5) |
C2—C3 | 1.396 (5) | C35—H351 | 1.000 |
C2—H21 | 1.000 | C36—H361 | 1.000 |
C3—C4 | 1.386 (5) | C37—C38 | 1.392 (5) |
C3—H31 | 1.000 | C37—C42 | 1.392 (5) |
C4—C5 | 1.380 (6) | C38—C39 | 1.392 (6) |
C4—H41 | 1.000 | C38—H381 | 1.000 |
C5—C6 | 1.386 (5) | C39—C40 | 1.378 (7) |
C5—H51 | 1.000 | C39—H391 | 1.000 |
C6—H61 | 1.000 | C40—C41 | 1.377 (7) |
C7—C8 | 1.380 (6) | C40—H401 | 1.000 |
C7—C12 | 1.410 (7) | C41—C42 | 1.388 (5) |
C8—C9 | 1.410 (8) | C41—H411 | 1.000 |
C8—H81 | 1.000 | C42—H421 | 1.000 |
C9—C10 | 1.36 (1) | C43—C44 | 1.388 (5) |
C9—H91 | 1.000 | C43—C48 | 1.376 (6) |
C10—C11 | 1.37 (1) | C44—C45 | 1.400 (6) |
C10—H101 | 1.000 | C44—H441 | 1.000 |
C11—C12 | 1.392 (7) | C45—C46 | 1.368 (8) |
C11—H111 | 1.000 | C45—H451 | 1.000 |
C12—H121 | 1.000 | C46—C47 | 1.361 (8) |
C13—C14 | 1.387 (5) | C46—H461 | 1.000 |
C13—C18 | 1.394 (5) | C47—C48 | 1.389 (7) |
C14—C15 | 1.401 (5) | C47—H471 | 1.000 |
C14—H141 | 1.000 | C48—H481 | 1.000 |
C15—C16 | 1.375 (7) | C49—H491 | 1.000 |
C15—H151 | 1.000 | C49—H492 | 1.000 |
C16—C17 | 1.382 (7) | C50—H501 | 1.000 |
C16—H161 | 1.000 | C50—H502 | 1.000 |
C17—C18 | 1.390 (5) | C47—C48 | 1.389 (7) |
F1···C30i | 3.474 (5) | O2···O3 | 2.623 (11) |
F1···C50i | 3.546 (5) | O2···C26 | 3.277 (7) |
F2···O3 | 3.12 (1) | O2···C16vi | 3.466 (7) |
F2···C50i | 3.249 (9) | O3···O21 | 1.66 (2) |
F2···C6ii | 3.292 (8) | O3···C48i | 3.230 (9) |
F2···C5ii | 3.396 (7) | O3···C47i | 3.38 (1) |
F3···O3 | 2.962 (9) | O21···C26 | 3.54 (2) |
F3···O21 | 3.38 (2) | C2···C28vii | 3.527 (6) |
F3···C21 | 3.453 (8) | C2···C29vii | 3.578 (6) |
F3···C42i | 3.510 (7) | C3···C14vii | 3.535 (5) |
F4···O21 | 3.28 (2) | C3···C28vii | 3.572 (7) |
F4···C511 | 3.31 (2) | C4···C35viii | 3.469 (6) |
F4···C49ii | 3.451 (8) | C4···C14vii | 3.587 (5) |
F4···C6ii | 3.575 (6) | C5···C36viii | 3.569 (5) |
F5···C46iii | 3.165 (8) | C5···C35viii | 3.593 (6) |
F5···C45iii | 3.351 (7) | C6···C511ix | 3.45 (3) |
F5···C34iv | 3.383 (8) | C6···C51ix | 3.53 (1) |
F5···C9v | 3.385 (9) | C7···C51ix | 3.526 (8) |
F6···C49ii | 3.47 (1) | C10···C52 | 3.26 (1) |
F6···C18ii | 3.543 (7) | C10···C34ix | 3.419 (9) |
F21···O3 | 2.37 (2) | C11···C52 | 3.23 (2) |
F21···O21 | 2.92 (3) | C12···C51ix | 3.339 (9) |
F21···C52 | 3.43 (2) | C16···C51x | 3.539 (7) |
F21···C42i | 3.57 (2) | C16···C511x | 3.58 (2) |
F31···C34iv | 3.20 (2) | C22···C34iv | 3.597 (6) |
F51···C46iii | 3.43 (2) | C24···C46iv | 3.440 (9) |
F61···C6ii | 3.24 (2) | C26···C51 | 3.41 (1) |
F61···C50i | 3.57 (2) | C26···C511 | 3.60 (3) |
O1···O2 | 2.910 (6) | C29···C40xi | 3.512 (8) |
O1···O21 | 3.14 (2) | C47···C52xii | 3.37 (1) |
O1···C52 | 3.50 (1) | C48···C52xii | 3.35 (1) |
Cl1—Ru1—P1 | 92.74 (3) | C16—C15—H151 | 120.5 |
Cl1—Ru1—P2 | 163.69 (3) | C15—C16—C17 | 121.2 (4) |
P1—Ru1—P2 | 71.08 (3) | C15—C16—H161 | 119.4 |
Cl1—Ru1—P3 | 93.70 (3) | C17—C16—H161 | 119.4 |
P1—Ru1—P3 | 172.00 (4) | C16—C17—C18 | 119.6 (4) |
P2—Ru1—P3 | 102.60 (3) | C16—C17—H171 | 120.2 |
Cl1—Ru1—P4 | 93.34 (4) | C18—C17—H171 | 120.2 |
P1—Ru1—P4 | 103.56 (4) | C13—C18—C17 | 120.3 (4) |
P2—Ru1—P4 | 92.54 (3) | C13—C18—H181 | 119.9 |
P3—Ru1—P4 | 71.33 (3) | C17—C18—H181 | 119.9 |
Cl1—Ru1—O1 | 81.41 (9) | P2—C19—C20 | 121.0 (3) |
P1—Ru1—O1 | 88.92 (9) | P2—C19—C24 | 119.3 (3) |
P2—Ru1—O1 | 95.83 (9) | C20—C19—C24 | 119.4 (4) |
P3—Ru1—O1 | 96.74 (9) | C19—C20—C21 | 119.2 (4) |
P4—Ru1—O1 | 166.73 (9) | C19—C20—H201 | 120.4 |
Ru1—P1—C1 | 130.23 (13) | C21—C20—H201 | 120.4 |
Ru1—P1—C7 | 112.46 (12) | C20—C21—C22 | 119.6 (4) |
C1—P1—C7 | 102.30 (17) | C20—C21—H211 | 120.2 |
Ru1—P1—C49 | 94.90 (11) | C22—C21—H211 | 120.2 |
C1—P1—C49 | 107.77 (16) | C21—C22—C23 | 122.4 (5) |
C7—P1—C49 | 107.35 (18) | C21—C22—H221 | 118.8 |
Ru1—P2—C13 | 128.14 (11) | C23—C22—H221 | 118.8 |
Ru1—P2—C19 | 120.47 (12) | C22—C23—C24 | 118.2 (5) |
C13—P2—C19 | 99.60 (15) | C22—C23—H231 | 120.9 |
Ru1—P2—C49 | 95.6 (1) | C24—C23—H231 | 120.9 |
C13—P2—C49 | 104.88 (16) | C19—C24—C23 | 121.1 (4) |
C19—P2—C49 | 105.00 (17) | C19—C24—H241 | 119.5 |
Ru1—P3—C25 | 127.30 (11) | C23—C24—H241 | 119.5 |
Ru1—P3—C31 | 121.86 (11) | P3—C25—C26 | 118.0 (3) |
C25—P3—C31 | 98.65 (15) | P3—C25—C30 | 122.6 (3) |
Ru1—P3—C50 | 93.38 (11) | C26—C25—C30 | 119.3 (3) |
C25—P3—C50 | 106.33 (17) | C25—C26—C27 | 120.3 (4) |
C31—P3—C50 | 106.96 (17) | C25—C26—H261 | 119.8 |
Ru1—P4—C37 | 126.88 (12) | C27—C26—H261 | 119.8 |
Ru1—P4—C43 | 122.09 (14) | C26—C27—C28 | 119.4 (4) |
C37—P4—C43 | 98.01 (17) | C26—C27—H271 | 120.3 |
Ru1—P4—C50 | 95.60 (12) | C28—C27—H271 | 120.3 |
C37—P4—C50 | 104.78 (16) | C27—C28—C29 | 120.5 (4) |
C43—P4—C50 | 107.13 (18) | C27—C28—H281 | 119.7 |
F1—P5—F2 | 89.2 (2) | C29—C28—H281 | 119.8 |
F1—P5—F3 | 85.3 (3) | C28—C29—C30 | 120.6 (4) |
F2—P5—F3 | 88.8 (4) | C28—C29—H291 | 119.7 |
F1—P5—F4 | 178.2 (2) | C30—C29—H291 | 119.7 |
F2—P5—F4 | 89.1 (2) | C25—C30—C29 | 119.9 (4) |
F3—P5—F4 | 94.9 (3) | C25—C30—H301 | 120.1 |
F1—P5—F5 | 89.2 (2) | C29—C30—H301 | 120.1 |
F2—P5—F5 | 176.6 (3) | P3—C31—C32 | 120.1 (3) |
F3—P5—F5 | 88.1 (3) | P3—C31—C36 | 121.3 (3) |
F4—P5—F5 | 92.5 (2) | C32—C31—C36 | 118.4 (3) |
F1—P5—F6 | 94.6 (3) | C31—C32—C33 | 120.6 (4) |
F2—P5—F6 | 91.4 (5) | C31—C32—H321 | 119.7 |
F3—P5—F6 | 179.9 (5) | C33—C32—H321 | 119.7 |
F4—P5—F6 | 85.1 (3) | C32—C33—C34 | 120.3 (4) |
F5—P5—F6 | 91.8 (4) | C32—C33—H331 | 119.8 |
F1—P5—F21 | 96.9 (7) | C34—C33—H331 | 119.8 |
F4—P5—F21 | 82.2 (7) | C33—C34—C35 | 120.1 (3) |
F1—P5—F31 | 102.0 (6) | C33—C34—H341 | 120.0 |
F4—P5—F31 | 79.5 (6) | C35—C34—H341 | 120.0 |
F1—P5—F51 | 86.3 (8) | C34—C35—C36 | 119.7 (4) |
F4—P5—F51 | 94.6 (8) | C34—C35—H351 | 120.1 |
F1—P5—F61 | 84.6 (5) | C36—C35—H351 | 120.1 |
F4—P5—F61 | 93.9 (5) | C31—C36—C35 | 120.9 (4) |
F21—P5—F31 | 88.7 (11) | C31—C36—H361 | 119.6 |
F21—P5—F51 | 176.8 (11) | C35—C36—H361 | 119.6 |
F31—P5—F51 | 91.5 (11) | P4—C37—C38 | 119.3 (3) |
F21—P5—F61 | 91.0 (10) | P4—C37—C42 | 122.1 (3) |
F31—P5—F61 | 173.4 (8) | C38—C37—C42 | 118.4 (3) |
F51—P5—F61 | 88.5 (10) | C37—C38—C39 | 120.6 (4) |
P1—C1—C2 | 120.1 (3) | C37—C38—H381 | 119.7 |
P1—C1—C6 | 120.2 (3) | C39—C38—H381 | 119.7 |
C2—C1—C6 | 119.5 (3) | C38—C39—C40 | 120.1 (4) |
C1—C2—C3 | 120.1 (3) | C38—C39—H391 | 120.0 |
C1—C2—H21 | 119.9 | C40—C39—H391 | 120.0 |
C3—C2—H21 | 119.9 | C39—C40—C41 | 120.0 (4) |
C2—C3—C4 | 120.1 (4) | C39—C40—H401 | 120.0 |
C2—C3—H31 | 119.9 | C41—C40—H401 | 120.0 |
C4—C3—H31 | 119.9 | C40—C41—C42 | 120.1 (4) |
C3—C4—C5 | 119.7 (3) | C40—C41—H411 | 119.9 |
C3—C4—H41 | 120.2 | C42—C41—H411 | 119.9 |
C5—C4—H41 | 120.1 | C37—C42—C41 | 120.7 (4) |
C4—C5—C6 | 120.8 (4) | C37—C42—H421 | 119.6 |
C4—C5—H51 | 119.6 | C41—C42—H421 | 119.6 |
C6—C5—H51 | 119.6 | P4—C43—C44 | 118.8 (3) |
C1—C6—C5 | 119.8 (4) | P4—C43—C48 | 121.7 (3) |
C1—C6—H61 | 120.1 | C44—C43—C48 | 118.5 (4) |
C5—C6—H61 | 120.1 | C43—C44—C45 | 120.1 (5) |
P1—C7—C8 | 118.5 (4) | C43—C44—H441 | 119.9 |
P1—C7—C12 | 123.0 (3) | C45—C44—H441 | 119.9 |
C8—C7—C12 | 118.2 (4) | C44—C45—C46 | 119.7 (4) |
C7—C8—C9 | 120.2 (6) | C44—C45—H451 | 120.2 |
C7—C8—H81 | 119.9 | C46—C45—H451 | 120.1 |
C9—C8—H81 | 119.9 | C45—C46—C47 | 120.7 (5) |
C8—C9—C10 | 120.3 (6) | C45—C46—H461 | 119.6 |
C8—C9—H91 | 119.8 | C47—C46—H461 | 119.7 |
C10—C9—H91 | 119.8 | C46—C47—C48 | 119.8 (6) |
C9—C10—C11 | 120.7 (6) | C46—C47—H471 | 120.1 |
C9—C10—H101 | 119.6 | C48—C47—H471 | 120.1 |
C11—C10—H101 | 119.6 | C43—C48—C47 | 121.1 (5) |
C10—C11—C12 | 119.7 (7) | C43—C48—H481 | 119.5 |
C10—C11—H111 | 120.1 | C47—C48—H481 | 119.4 |
C12—C11—H111 | 120.1 | P1—C49—P2 | 94.24 (15) |
C7—C12—C11 | 120.7 (5) | P1—C49—H491 | 113.13 |
C7—C12—H121 | 119.6 | P2—C49—H491 | 113.13 |
C11—C12—H121 | 119.6 | P1—C49—H492 | 113.14 |
P2—C13—C14 | 118.3 (3) | P2—C49—H492 | 113.14 |
P2—C13—C18 | 122.3 (3) | H491—C49—H492 | 109.467 |
C14—C13—C18 | 119.3 (3) | P3—C50—P4 | 96.68 (18) |
C13—C14—C15 | 120.6 (4) | P3—C50—H501 | 112.57 |
C13—C14—H141 | 119.7 | P4—C50—H501 | 112.56 |
C15—C14—H141 | 119.7 | P3—C50—H502 | 112.57 |
C14—C15—C16 | 119.1 (4) | P4—C50—H502 | 112.57 |
C14—C15—H151 | 120.5 | H501—C50—H502 | 109.467 |
Ru1—P1—C1—C2 | −46.7 (4) | O1—Ru1—P2—C13 | −145.2 (2) |
Ru1—P1—C1—C6 | 138.2 (3) | O1—Ru1—P2—C19 | −10.2 (2) |
Ru1—P1—C7—C8 | 79.6 (3) | O1—Ru1—P2—C49 | 100.9 (1) |
Ru1—P1—C7—C12 | −93.9 (4) | O1—Ru1—P3—C25 | 60.6 (2) |
Ru1—P1—C49—P2 | 16.8 (1) | O1—Ru1—P3—C31 | −73.5 (2) |
Ru1—P2—C13—C14 | 65.0 (3) | O1—Ru1—P3—C50 | 174.1 (2) |
Ru1—P2—C13—C18 | −118.7 (3) | O1—Ru1—P4—C37 | 151.7 (4) |
Ru1—P2—C19—C20 | −39.8 (3) | O1—Ru1—P4—C43 | −75.8 (4) |
Ru1—P2—C19—C24 | 146.2 (2) | O1—Ru1—P4—C50 | 38.5 (4) |
Ru1—P2—C49—P1 | −17.1 (1) | C1—P1—C7—C8 | −64.1 (4) |
Ru1—P3—C25—C26 | −62.4 (4) | C1—P1—C7—C12 | 122.4 (4) |
Ru1—P3—C25—C30 | 121.9 (3) | C1—C2—C3—C4 | 0.3 (7) |
Ru1—P3—C31—C32 | 44.4 (3) | C1—C6—C5—C4 | 0.8 (6) |
Ru1—P3—C31—C36 | −141.6 (2) | C2—C1—P1—C7 | 87.5 (4) |
Ru1—P3—C50—P4 | 14.3 (2) | C2—C1—P1—C49 | −159.6 (3) |
Ru1—P4—C37—C38 | 67.3 (3) | C2—C1—C6—C5 | −1.6 (6) |
Ru1—P4—C37—C42 | −117.5 (3) | C2—C3—C4—C5 | −1.1 (7) |
Ru1—P4—C43—C44 | −54.8 (4) | C3—C2—C1—C6 | 1.0 (7) |
Ru1—P4—C43—C48 | 136.8 (4) | C3—C4—C5—C6 | 0.5 (6) |
Ru1—P4—C50—P3 | −14.8 (2) | C6—C1—P1—C7 | −87.6 (3) |
Cl1—Ru1—P1—C1 | 49.6 (2) | C6—C1—P1—C49 | 25.3 (4) |
Cl1—Ru1—P1—C7 | −81.1 (1) | C7—C8—C9—C10 | 0.8 (9) |
Cl1—Ru1—P1—C49 | 167.9 (1) | C7—C12—C11—C10 | 2 (1) |
Cl1—Ru1—P2—C13 | 135.5 (2) | C8—C7—P1—C49 | −177.4 (3) |
Cl1—Ru1—P2—C19 | −89.5 (2) | C8—C7—C12—C11 | −1.7 (8) |
Cl1—Ru1—P2—C49 | 21.6 (2) | C8—C9—C10—C11 | −0 (1) |
Cl1—Ru1—P3—C25 | 142.4 (2) | C9—C8—C7—C12 | 0.2 (7) |
Cl1—Ru1—P3—C31 | 8.2 (2) | C9—C10—C11—C12 | −1 (1) |
Cl1—Ru1—P3—C50 | −104.1 (1) | C12—C7—P1—C49 | 9.1 (5) |
Cl1—Ru1—P4—C37 | −142.2 (1) | C13—P2—C19—C20 | 105.9 (3) |
Cl1—Ru1—P4—C43 | −9.6 (2) | C13—P2—C19—C24 | −68.1 (3) |
Cl1—Ru1—P4—C50 | 104.6 (2) | C13—C14—C15—C16 | −1.3 (6) |
P1—Ru1—P2—C13 | 127.9 (2) | C13—C18—C17—C16 | −0.7 (7) |
P1—Ru1—P2—C19 | −97.0 (1) | C14—C13—P2—C19 | −76.9 (3) |
P1—Ru1—P2—C49 | 14.0 (1) | C14—C13—P2—C49 | 174.7 (3) |
P1—Ru1—P4—C37 | −48.5 (1) | C14—C13—C18—C17 | −0.2 (6) |
P1—Ru1—P4—C43 | 84.0 (2) | C14—C15—C16—C17 | 0.5 (7) |
P1—Ru1—P4—C50 | −161.7 (1) | C15—C14—C13—C18 | 1.2 (6) |
P1—C1—C2—C3 | −174.1 (4) | C15—C16—C17—C18 | 0.5 (7) |
P1—C1—C6—C5 | 173.5 (3) | C18—C13—P2—C19 | 99.4 (3) |
P1—C7—C8—C9 | −173.6 (4) | C18—C13—P2—C49 | −9.1 (4) |
P1—C7—C12—C11 | 171.8 (5) | C19—C20—C21—C22 | 2.1 (6) |
P1—C49—P2—C13 | −149.0 (2) | C19—C24—C23—C22 | −1.4 (6) |
P1—C49—P2—C19 | 106.5 (2) | C20—C19—P2—C49 | −145.7 (3) |
P2—Ru1—P1—C1 | −132.5 (2) | C20—C19—C24—C23 | 3.6 (5) |
P2—Ru1—P1—C7 | 96.8 (1) | C20—C21—C22—C23 | 0.1 (7) |
P2—Ru1—P1—C49 | −14.2 (1) | C21—C20—C19—C24 | −3.8 (5) |
P2—Ru1—P3—C25 | −37.0 (2) | C21—C22—C23—C24 | −0.4 (7) |
P2—Ru1—P3—C31 | −171.1 (1) | C24—C19—P2—C49 | 40.3 (3) |
P2—Ru1—P3—C50 | 76.6 (1) | C25—P3—C31—C32 | −100.3 (3) |
P2—Ru1—P4—C37 | 22.6 (1) | C25—P3—C31—C36 | 73.7 (3) |
P2—Ru1—P4—C43 | 155.1 (2) | C25—C26—C27—C28 | −0.7 (7) |
P2—Ru1—P4—C50 | −90.6 (2) | C25—C30—C29—C28 | 0.4 (7) |
P2—C13—C14—C15 | 177.6 (3) | C26—C25—P3—C31 | 79.5 (4) |
P2—C13—C18—C17 | −176.4 (3) | C26—C25—P3—C50 | −169.9 (4) |
P2—C19—C20—C21 | −177.8 (3) | C26—C25—C30—C29 | −0.5 (7) |
P2—C19—C24—C23 | 177.7 (3) | C26—C27—C28—C29 | 0.5 (7) |
P2—C49—P1—C1 | 151.9 (2) | C27—C26—C25—C30 | 0.7 (7) |
P2—C49—P1—C7 | −98.6 (2) | C27—C28—C29—C30 | −0.4 (7) |
P3—Ru1—P2—C13 | −47.0 (2) | C30—C25—P3—C31 | −96.2 (4) |
P3—Ru1—P2—C19 | 88.1 (1) | C30—C25—P3—C50 | 14.4 (4) |
P3—Ru1—P2—C49 | −160.9 (1) | C31—C32—C33—C34 | 0.7 (5) |
P3—Ru1—P4—C37 | 125.1 (1) | C31—C36—C35—C34 | 0.4 (5) |
P3—Ru1—P4—C43 | −102.4 (2) | C32—C31—P3—C50 | 149.6 (3) |
P3—Ru1—P4—C50 | 11.8 (1) | C32—C31—C36—C35 | −0.1 (5) |
P3—C25—C26—C27 | −175.2 (4) | C32—C33—C34—C35 | −0.4 (6) |
P3—C25—C30—C29 | 175.1 (3) | C33—C32—C31—C36 | −0.5 (5) |
P3—C31—C32—C33 | 173.7 (3) | C33—C34—C35—C36 | −0.2 (6) |
P3—C31—C36—C35 | −174.2 (3) | C36—C31—P3—C50 | −36.4 (3) |
P3—C50—P4—C37 | −145.3 (2) | C37—P4—C43—C44 | 88.7 (4) |
P3—C50—P4—C43 | 111.3 (2) | C37—P4—C43—C48 | −79.8 (5) |
P4—Ru1—P1—C1 | −44.5 (2) | C37—C38—C39—C40 | −0.6 (7) |
P4—Ru1—P1—C7 | −175.2 (1) | C37—C42—C41—C40 | 0.5 (7) |
P4—Ru1—P1—C49 | 73.8 (1) | C38—C37—P4—C43 | −73.6 (3) |
P4—Ru1—P2—C13 | 24.4 (2) | C38—C37—P4—C50 | 176.3 (3) |
P4—Ru1—P2—C19 | 159.5 (1) | C38—C37—C42—C41 | −1.0 (6) |
P4—Ru1—P2—C49 | −89.4 (1) | C38—C39—C40—C41 | 0.1 (8) |
P4—Ru1—P3—C25 | −125.4 (2) | C39—C38—C37—C42 | 1.0 (6) |
P4—Ru1—P3—C31 | 100.5 (2) | C39—C40—C41—C42 | −0.1 (8) |
P4—Ru1—P3—C50 | −11.8 (1) | C42—C37—P4—C43 | 101.6 (3) |
P4—C37—C38—C39 | 176.4 (4) | C42—C37—P4—C50 | −8.5 (4) |
P4—C37—C42—C41 | −176.2 (3) | C43—C44—C45—C46 | −2.0 (8) |
P4—C43—C44—C45 | −168.6 (4) | C43—C48—C47—C46 | −2 (1) |
P4—C43—C48—C47 | 170.0 (6) | C44—C43—P4—C50 | −163.0 (4) |
P4—C50—P3—C25 | 144.8 (2) | C44—C43—C48—C47 | 1.5 (9) |
P4—C50—P3—C31 | −110.5 (2) | C44—C45—C46—C47 | 2 (1) |
O1—Ru1—P1—C1 | 131.0 (2) | C45—C44—C43—C48 | 0.3 (8) |
O1—Ru1—P1—C7 | 0.3 (2) | C45—C46—C47—C48 | −0 (1) |
O1—Ru1—P1—C49 | −110.8 (2) | C48—C43—P4—C50 | 28.5 (5) |
Symmetry codes: (i) x, y−1, z; (ii) x, −y+1, z+1/2; (iii) x+1/2, −y+3/2, z+1/2; (iv) x+1/2, y−1/2, z; (v) x+1/2, −y+1/2, z+1/2; (vi) x−1/2, y−1/2, z; (vii) x−1/2, −y+3/2, z−1/2; (viii) x, −y+2, z−1/2; (ix) x, −y+1, z−1/2; (x) x+1/2, y+1/2, z; (xi) x, −y+2, z+1/2; (xii) x, y+1, z. |
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