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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

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804016253/cf6366sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804016253/cf6366Isup2.hkl
Contains datablock I

CCDC reference: 248735

Key indicators

  • Single-crystal X-ray study
  • T = 200 K
  • Mean [sigma](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)]PF6·1.73CH4OF(000) = 2300.6
Mr = 1123.67Dx = 1.474 Mg m3
Monoclinic, CcMo Kα radiation, λ = 0.71073 Å
a = 20.4427 (2) ÅCell parameters from 50753 reflections
b = 12.7593 (2) Åθ = 3–27°
c = 21.0262 (2) ŵ = 0.58 mm1
β = 112.6186 (7)°T = 200 K
V = 5062.53 (11) Å3Block, green
Z = 40.30 × 0.26 × 0.17 mm
Data collection top
Nonius KappaCCD
diffractometer
8523 reflections with I > 3σ(I)
Graphite monochromatorRint = 0.05
φ and ω scansθmax = 27.5°, θmin = 4.1°
Absorption correction: integration
[Coppens (1970); implemented in maXus (Mackay et al., 2000)]
h = 2626
Tmin = 0.883, Tmax = 0.957k = 1616
50753 measured reflectionsl = 2727
11446 independent reflections
Refinement top
Refinement on FHydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-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 = 1.05Δρmax = 0.69 e Å3
8523 reflectionsΔρmin = 1.37 e Å3
637 parametersAbsolute structure: Flack (1983), 5819 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.02 (2)
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ru10.26440 (5)0.75092 (2)0.63884 (5)0.0310
Cl10.13507 (7)0.75323 (9)0.60706 (7)0.0466
P10.25279 (7)0.71516 (9)0.52558 (6)0.0354
P20.37561 (6)0.73290 (7)0.63668 (6)0.0307
P30.29001 (6)0.80203 (8)0.75502 (6)0.0324
P40.27368 (7)0.93153 (7)0.64608 (6)0.0344
P50.42852 (7)0.1815 (1)0.88069 (7)0.0498
F10.45721 (19)0.0809 (3)0.8562 (2)0.0943
F20.3510 (2)0.1443 (6)0.8376 (4)0.11770.730 (5)
F30.4303 (3)0.2351 (4)0.8130 (3)0.10610.730 (5)
F40.3976 (2)0.2802 (3)0.9041 (3)0.1116
F50.5076 (2)0.2195 (4)0.9201 (3)0.08610.730 (5)
F60.4270 (5)0.1296 (6)0.9464 (3)0.14010.730 (5)
F210.3759 (12)0.2151 (15)0.8096 (9)0.121 (6)*0.270 (5)
F310.4795 (9)0.2668 (12)0.876 (1)0.105 (5)*0.270 (5)
F510.4792 (11)0.1522 (16)0.954 (1)0.126 (6)*0.270 (5)
F610.3700 (8)0.1009 (11)0.8896 (9)0.093 (4)*0.270 (5)
O10.24859 (17)0.5835 (3)0.65252 (16)0.0628
O20.2501 (3)0.4671 (5)0.7721 (2)0.08880.730 (5)
O30.2883 (4)0.3052 (6)0.7176 (4)0.13370.730 (5)
O210.2959 (9)0.4097 (13)0.7673 (8)0.0886*0.270 (5)
C10.19871 (19)0.7787 (3)0.44520 (17)0.0378
C20.12803 (19)0.8004 (4)0.43093 (19)0.0449
C30.0848 (2)0.8404 (4)0.3666 (2)0.0496
C40.1123 (2)0.8580 (3)0.31676 (18)0.0479
C50.1829 (2)0.8375 (3)0.3313 (2)0.0483
C60.2265 (2)0.7987 (3)0.39515 (19)0.0453
C70.2369 (2)0.5763 (3)0.50377 (18)0.0463
C80.1692 (3)0.5376 (4)0.4866 (2)0.0686
C90.1561 (4)0.4293 (6)0.4762 (3)0.0904
C100.2101 (5)0.3617 (6)0.4838 (4)0.1081
C110.2779 (4)0.3978 (5)0.5013 (4)0.0939
C120.2916 (3)0.5048 (4)0.5102 (3)0.0647
C130.45024 (17)0.8226 (3)0.67008 (18)0.0347
C140.48043 (19)0.8396 (3)0.74061 (19)0.0434
C150.5397 (2)0.9048 (4)0.7693 (2)0.0593
C160.5685 (2)0.9501 (4)0.7267 (3)0.0617
C170.5398 (2)0.9331 (4)0.6563 (3)0.0603
C180.48029 (19)0.8696 (3)0.6279 (2)0.0437
C190.42303 (18)0.6076 (3)0.65970 (18)0.0388
C200.4208 (2)0.5485 (3)0.7132 (2)0.0534
C210.4606 (3)0.4531 (4)0.7309 (3)0.0713
C220.5017 (2)0.4243 (4)0.6959 (3)0.0655
C230.5067 (3)0.4835 (4)0.6439 (3)0.0650
C240.4676 (2)0.5767 (3)0.6261 (2)0.0508
C250.36338 (18)0.7559 (3)0.83278 (16)0.0360
C260.3658 (2)0.6504 (3)0.84897 (19)0.0452
C270.4174 (2)0.6125 (4)0.9103 (2)0.0548
C280.4666 (2)0.6815 (4)0.9544 (2)0.0538
C290.46459 (19)0.7853 (4)0.93869 (19)0.0519
C300.41343 (19)0.8240 (3)0.87792 (19)0.0429
C310.22130 (17)0.8095 (3)0.78991 (16)0.0345
C320.17114 (19)0.7292 (3)0.77658 (19)0.0394
C330.1229 (2)0.7288 (3)0.8082 (2)0.0499
C340.1232 (2)0.8084 (4)0.8528 (2)0.0494
C350.1721 (2)0.8889 (4)0.8665 (2)0.0509
C360.2211 (2)0.8891 (3)0.83526 (19)0.0460
C370.33177 (18)1.0140 (3)0.61955 (18)0.0384
C380.3197 (2)1.0218 (3)0.5499 (2)0.0466
C390.3605 (3)1.0885 (4)0.5277 (2)0.0599
C400.4131 (3)1.1484 (4)0.5748 (3)0.0626
C410.4253 (3)1.1421 (3)0.6438 (2)0.0579
C420.3848 (2)1.0757 (3)0.6662 (2)0.0451
C430.1959 (2)1.0165 (3)0.6168 (2)0.0445
C440.1468 (2)1.0059 (4)0.5498 (2)0.0557
C450.0936 (2)1.0812 (4)0.5217 (3)0.0647
C460.0890 (3)1.1636 (5)0.5614 (3)0.0785
C470.1368 (4)1.1748 (6)0.6272 (3)0.1040
C480.1908 (3)1.1018 (5)0.6546 (3)0.0806
C490.34575 (17)0.7418 (3)0.54153 (16)0.0355
C500.3117 (2)0.9368 (3)0.74060 (18)0.0402
C510.2482 (4)0.4568 (7)0.8418 (3)0.07610.730 (5)
C520.2833 (6)0.3158 (7)0.6486 (6)0.10980.730 (5)
C5110.2562 (12)0.420 (2)0.8134 (12)0.0763*0.270 (5)
H210.107970.78750.466740.0528*
H310.03390.85640.35660.0565*
H410.08110.88540.270420.0540*
H510.20280.85080.29540.0592*
H610.27770.78500.405370.0556*
H810.12930.58670.48150.0775*
H910.10680.40180.46320.0990*
H1010.20030.28500.47660.1245*
H1110.31740.34750.50750.1093*
H1210.34090.53120.52140.0777*
H1410.459680.80510.771270.0510*
H1510.56080.91820.82000.0652*
H1610.61110.99630.74690.0714*
H1710.56170.96610.62610.0735*
H1810.458960.85770.57700.0527*
H2010.39170.57170.73950.0604*
H2110.45820.40780.76880.0760*
H2210.52910.35740.70880.0707*
H2310.53750.46100.61920.0721*
H2410.47140.62200.58880.0593*
H2610.33050.60100.816740.0517*
H2710.41880.53640.92220.0650*
H2810.50380.65470.99800.0629*
H2910.500120.83420.971050.0601*
H3010.412520.90020.866630.0512*
H3210.170110.67160.743930.0476*
H3310.08770.67050.79870.0604*
H3410.08800.80800.87520.0625*
H3510.17230.94670.89860.0636*
H3610.25660.94700.845510.0550*
H3810.28130.97900.51550.0565*
H3910.35161.09300.47760.0753*
H4010.44231.19630.55880.0794*
H4110.46351.18560.67790.0726*
H4210.39381.07200.71640.0561*
H4410.14940.94430.52140.0632*
H4510.05911.07480.47290.0760*
H4610.05011.21620.54180.0963*
H4710.13311.23550.65580.1242*
H4810.22651.11140.70260.0943*
H4910.353380.81270.525310.0417*
H4920.367560.68730.521660.0417*
H5010.28780.98980.759340.0479*
H5020.36390.95030.759730.0479*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru10.0226 (1)0.04559 (12)0.0223 (1)0.00268 (11)0.00584 (7)0.00300 (11)
Cl10.0248 (4)0.0782 (7)0.0324 (4)0.0018 (4)0.0062 (3)0.0099 (4)
P10.0273 (4)0.0538 (6)0.0225 (4)0.0040 (4)0.0066 (3)0.0011 (4)
P20.0227 (4)0.0413 (5)0.0267 (4)0.0014 (3)0.0080 (3)0.0007 (3)
P30.0275 (4)0.0439 (6)0.0238 (4)0.0007 (4)0.0075 (3)0.0032 (4)
P40.0308 (4)0.0456 (5)0.0268 (4)0.0030 (4)0.0109 (4)0.0057 (4)
P50.0399 (5)0.0682 (7)0.0426 (5)0.0110 (5)0.0173 (4)0.0122 (5)
F10.092 (2)0.086 (2)0.119 (3)0.0013 (18)0.056 (2)0.029 (2)
F20.039 (2)0.163 (6)0.143 (5)0.039 (3)0.026 (3)0.092 (5)
F30.115 (4)0.134 (5)0.080 (3)0.009 (3)0.049 (3)0.042 (3)
F40.089 (3)0.094 (3)0.154 (4)0.001 (2)0.049 (3)0.052 (3)
F50.040 (2)0.102 (3)0.104 (4)0.017 (2)0.014 (2)0.036 (3)
F60.217 (8)0.163 (6)0.078 (4)0.005 (6)0.098 (5)0.034 (4)
O10.0572 (18)0.070 (2)0.0505 (18)0.0158 (15)0.0088 (14)0.0081 (15)
O20.109 (5)0.106 (5)0.049 (3)0.036 (4)0.028 (3)0.012 (3)
O30.152 (7)0.123 (6)0.090 (5)0.032 (5)0.006 (5)0.021 (4)
C10.0309 (17)0.056 (2)0.0260 (15)0.0039 (16)0.0103 (13)0.0020 (14)
C20.0301 (17)0.068 (3)0.0340 (18)0.0032 (18)0.0093 (14)0.0002 (18)
C30.0334 (19)0.071 (3)0.036 (2)0.0026 (18)0.0050 (16)0.0057 (18)
C40.046 (2)0.058 (2)0.0311 (18)0.0023 (17)0.0052 (16)0.0095 (15)
C50.055 (2)0.060 (2)0.0336 (18)0.0012 (19)0.0204 (17)0.0059 (17)
C60.0383 (18)0.063 (2)0.0375 (19)0.0009 (18)0.0180 (16)0.0061 (17)
C70.044 (2)0.060 (2)0.0296 (17)0.0112 (18)0.0084 (15)0.0047 (16)
C80.058 (3)0.080 (3)0.056 (3)0.028 (2)0.009 (2)0.008 (2)
C90.082 (4)0.093 (5)0.072 (3)0.048 (4)0.003 (3)0.015 (3)
C100.142 (7)0.069 (4)0.100 (5)0.043 (5)0.032 (5)0.042 (4)
C110.113 (5)0.057 (3)0.103 (4)0.012 (3)0.032 (4)0.036 (3)
C120.070 (3)0.064 (3)0.061 (3)0.002 (2)0.025 (2)0.019 (2)
C130.0238 (14)0.0403 (19)0.0381 (17)0.0012 (13)0.0099 (13)0.0003 (14)
C140.0358 (18)0.052 (2)0.0401 (19)0.0015 (16)0.0116 (15)0.0016 (16)
C150.041 (2)0.063 (3)0.059 (3)0.0078 (19)0.0028 (19)0.013 (2)
C160.040 (2)0.056 (3)0.083 (3)0.0187 (19)0.016 (2)0.011 (2)
C170.045 (2)0.060 (3)0.079 (3)0.013 (2)0.027 (2)0.002 (2)
C180.0331 (17)0.051 (2)0.048 (2)0.0042 (16)0.0164 (16)0.0003 (17)
C190.0324 (17)0.0411 (19)0.0345 (17)0.0025 (15)0.0034 (14)0.0003 (14)
C200.038 (2)0.059 (3)0.054 (2)0.0011 (18)0.0075 (17)0.016 (2)
C210.053 (3)0.067 (3)0.070 (3)0.009 (2)0.003 (2)0.032 (3)
C220.050 (3)0.048 (3)0.078 (3)0.002 (2)0.003 (2)0.003 (2)
C230.064 (3)0.063 (3)0.053 (2)0.017 (2)0.006 (2)0.006 (2)
C240.048 (2)0.056 (3)0.044 (2)0.0161 (18)0.0133 (17)0.0022 (18)
C250.0262 (15)0.061 (2)0.0208 (13)0.0000 (15)0.0086 (12)0.0006 (15)
C260.0386 (19)0.055 (2)0.0352 (18)0.0001 (17)0.0072 (15)0.0093 (16)
C270.044 (2)0.075 (3)0.043 (2)0.013 (2)0.0145 (18)0.023 (2)
C280.0347 (19)0.094 (4)0.0284 (18)0.010 (2)0.0077 (15)0.010 (2)
C290.0286 (17)0.093 (3)0.0284 (17)0.0003 (19)0.0049 (14)0.0012 (19)
C300.0317 (18)0.063 (3)0.0337 (18)0.0015 (16)0.0118 (15)0.0001 (16)
C310.0291 (15)0.045 (2)0.0274 (15)0.0040 (14)0.0082 (13)0.0051 (14)
C320.0353 (17)0.047 (2)0.0363 (18)0.0004 (14)0.0149 (14)0.0022 (15)
C330.043 (2)0.065 (3)0.043 (2)0.0060 (18)0.0182 (17)0.0069 (18)
C340.043 (2)0.075 (3)0.038 (2)0.012 (2)0.0243 (17)0.0125 (19)
C350.056 (2)0.059 (3)0.044 (2)0.010 (2)0.0263 (19)0.0017 (18)
C360.045 (2)0.054 (2)0.0390 (19)0.0023 (17)0.0155 (16)0.0002 (16)
C370.0356 (17)0.044 (2)0.0371 (17)0.0086 (15)0.0157 (14)0.0064 (15)
C380.045 (2)0.056 (2)0.0405 (19)0.0019 (17)0.0180 (16)0.0116 (17)
C390.068 (3)0.070 (3)0.051 (2)0.003 (2)0.032 (2)0.016 (2)
C400.071 (3)0.057 (3)0.070 (3)0.011 (2)0.039 (2)0.009 (2)
C410.067 (3)0.052 (3)0.062 (3)0.019 (2)0.034 (2)0.006 (2)
C420.053 (2)0.042 (2)0.045 (2)0.0048 (17)0.0246 (18)0.0021 (16)
C430.0324 (17)0.066 (2)0.0376 (18)0.0075 (17)0.0161 (15)0.0065 (18)
C440.043 (2)0.074 (3)0.041 (2)0.010 (2)0.0062 (17)0.0096 (19)
C450.043 (2)0.092 (4)0.055 (3)0.016 (2)0.0142 (19)0.026 (2)
C460.061 (3)0.104 (4)0.075 (3)0.044 (3)0.032 (3)0.031 (3)
C470.102 (5)0.136 (6)0.072 (4)0.070 (4)0.032 (4)0.001 (4)
C480.076 (3)0.111 (4)0.049 (3)0.049 (3)0.017 (2)0.005 (3)
C490.0268 (15)0.050 (2)0.0270 (15)0.0019 (14)0.0078 (12)0.0053 (15)
C500.0394 (18)0.050 (2)0.0306 (16)0.0049 (16)0.0125 (14)0.0036 (15)
C510.093 (5)0.089 (6)0.050 (4)0.011 (4)0.032 (4)0.012 (3)
C520.129 (9)0.080 (6)0.104 (8)0.026 (5)0.027 (7)0.008 (5)
Geometric parameters (Å, º) top
Ru1—Cl12.4656 (8)C17—H1711.000
Ru1—P12.345 (1)C18—H1811.000
Ru1—P22.3028 (8)C19—C201.369 (5)
Ru1—P32.3839 (9)C19—C241.406 (5)
Ru1—P42.312 (1)C20—C211.432 (6)
Ru1—O12.196 (3)C20—H2011.000
P1—C11.816 (4)C21—C221.363 (7)
P1—C71.827 (4)C21—H2111.000
P1—C491.830 (3)C22—C231.364 (7)
P2—C131.818 (3)C22—H2211.000
P2—C191.836 (4)C23—C241.402 (7)
P2—C491.857 (3)C23—H2311.000
P3—C251.839 (3)C24—H2411.000
P3—C311.820 (3)C25—C261.385 (5)
P3—C501.830 (4)C25—C301.398 (5)
P4—C371.827 (4)C26—C271.401 (5)
P4—C431.824 (4)C26—H2611.000
P4—C501.836 (3)C27—C281.389 (6)
P5—F11.578 (3)C27—H2711.000
P5—F21.567 (4)C28—C291.362 (7)
P5—F31.593 (4)C28—H2811.000
P5—F41.571 (4)C29—C301.394 (5)
P5—F51.582 (4)C29—H2911.000
P5—F61.542 (5)C30—H3011.000
P5—F211.529 (19)C31—C321.399 (5)
P5—F311.537 (16)C31—C361.394 (5)
P5—F511.53 (2)C32—C331.385 (5)
P5—F611.642 (15)C32—H3211.000
O2—C511.487 (6)C33—C341.381 (6)
O3—C521.422 (13)C33—H3311.000
O21—C5111.49 (1)C34—C351.384 (6)
C1—C21.386 (5)C34—H3411.000
C1—C61.399 (5)C35—C361.392 (5)
C2—C31.396 (5)C35—H3511.000
C2—H211.000C36—H3611.000
C3—C41.386 (5)C37—C381.392 (5)
C3—H311.000C37—C421.392 (5)
C4—C51.380 (6)C38—C391.392 (6)
C4—H411.000C38—H3811.000
C5—C61.386 (5)C39—C401.378 (7)
C5—H511.000C39—H3911.000
C6—H611.000C40—C411.377 (7)
C7—C81.380 (6)C40—H4011.000
C7—C121.410 (7)C41—C421.388 (5)
C8—C91.410 (8)C41—H4111.000
C8—H811.000C42—H4211.000
C9—C101.36 (1)C43—C441.388 (5)
C9—H911.000C43—C481.376 (6)
C10—C111.37 (1)C44—C451.400 (6)
C10—H1011.000C44—H4411.000
C11—C121.392 (7)C45—C461.368 (8)
C11—H1111.000C45—H4511.000
C12—H1211.000C46—C471.361 (8)
C13—C141.387 (5)C46—H4611.000
C13—C181.394 (5)C47—C481.389 (7)
C14—C151.401 (5)C47—H4711.000
C14—H1411.000C48—H4811.000
C15—C161.375 (7)C49—H4911.000
C15—H1511.000C49—H4921.000
C16—C171.382 (7)C50—H5011.000
C16—H1611.000C50—H5021.000
C17—C181.390 (5)C47—C481.389 (7)
F1···C30i3.474 (5)O2···O32.623 (11)
F1···C50i3.546 (5)O2···C263.277 (7)
F2···O33.12 (1)O2···C16vi3.466 (7)
F2···C50i3.249 (9)O3···O211.66 (2)
F2···C6ii3.292 (8)O3···C48i3.230 (9)
F2···C5ii3.396 (7)O3···C47i3.38 (1)
F3···O32.962 (9)O21···C263.54 (2)
F3···O213.38 (2)C2···C28vii3.527 (6)
F3···C213.453 (8)C2···C29vii3.578 (6)
F3···C42i3.510 (7)C3···C14vii3.535 (5)
F4···O213.28 (2)C3···C28vii3.572 (7)
F4···C5113.31 (2)C4···C35viii3.469 (6)
F4···C49ii3.451 (8)C4···C14vii3.587 (5)
F4···C6ii3.575 (6)C5···C36viii3.569 (5)
F5···C46iii3.165 (8)C5···C35viii3.593 (6)
F5···C45iii3.351 (7)C6···C511ix3.45 (3)
F5···C34iv3.383 (8)C6···C51ix3.53 (1)
F5···C9v3.385 (9)C7···C51ix3.526 (8)
F6···C49ii3.47 (1)C10···C523.26 (1)
F6···C18ii3.543 (7)C10···C34ix3.419 (9)
F21···O32.37 (2)C11···C523.23 (2)
F21···O212.92 (3)C12···C51ix3.339 (9)
F21···C523.43 (2)C16···C51x3.539 (7)
F21···C42i3.57 (2)C16···C511x3.58 (2)
F31···C34iv3.20 (2)C22···C34iv3.597 (6)
F51···C46iii3.43 (2)C24···C46iv3.440 (9)
F61···C6ii3.24 (2)C26···C513.41 (1)
F61···C50i3.57 (2)C26···C5113.60 (3)
O1···O22.910 (6)C29···C40xi3.512 (8)
O1···O213.14 (2)C47···C52xii3.37 (1)
O1···C523.50 (1)C48···C52xii3.35 (1)
Cl1—Ru1—P192.74 (3)C16—C15—H151120.5
Cl1—Ru1—P2163.69 (3)C15—C16—C17121.2 (4)
P1—Ru1—P271.08 (3)C15—C16—H161119.4
Cl1—Ru1—P393.70 (3)C17—C16—H161119.4
P1—Ru1—P3172.00 (4)C16—C17—C18119.6 (4)
P2—Ru1—P3102.60 (3)C16—C17—H171120.2
Cl1—Ru1—P493.34 (4)C18—C17—H171120.2
P1—Ru1—P4103.56 (4)C13—C18—C17120.3 (4)
P2—Ru1—P492.54 (3)C13—C18—H181119.9
P3—Ru1—P471.33 (3)C17—C18—H181119.9
Cl1—Ru1—O181.41 (9)P2—C19—C20121.0 (3)
P1—Ru1—O188.92 (9)P2—C19—C24119.3 (3)
P2—Ru1—O195.83 (9)C20—C19—C24119.4 (4)
P3—Ru1—O196.74 (9)C19—C20—C21119.2 (4)
P4—Ru1—O1166.73 (9)C19—C20—H201120.4
Ru1—P1—C1130.23 (13)C21—C20—H201120.4
Ru1—P1—C7112.46 (12)C20—C21—C22119.6 (4)
C1—P1—C7102.30 (17)C20—C21—H211120.2
Ru1—P1—C4994.90 (11)C22—C21—H211120.2
C1—P1—C49107.77 (16)C21—C22—C23122.4 (5)
C7—P1—C49107.35 (18)C21—C22—H221118.8
Ru1—P2—C13128.14 (11)C23—C22—H221118.8
Ru1—P2—C19120.47 (12)C22—C23—C24118.2 (5)
C13—P2—C1999.60 (15)C22—C23—H231120.9
Ru1—P2—C4995.6 (1)C24—C23—H231120.9
C13—P2—C49104.88 (16)C19—C24—C23121.1 (4)
C19—P2—C49105.00 (17)C19—C24—H241119.5
Ru1—P3—C25127.30 (11)C23—C24—H241119.5
Ru1—P3—C31121.86 (11)P3—C25—C26118.0 (3)
C25—P3—C3198.65 (15)P3—C25—C30122.6 (3)
Ru1—P3—C5093.38 (11)C26—C25—C30119.3 (3)
C25—P3—C50106.33 (17)C25—C26—C27120.3 (4)
C31—P3—C50106.96 (17)C25—C26—H261119.8
Ru1—P4—C37126.88 (12)C27—C26—H261119.8
Ru1—P4—C43122.09 (14)C26—C27—C28119.4 (4)
C37—P4—C4398.01 (17)C26—C27—H271120.3
Ru1—P4—C5095.60 (12)C28—C27—H271120.3
C37—P4—C50104.78 (16)C27—C28—C29120.5 (4)
C43—P4—C50107.13 (18)C27—C28—H281119.7
F1—P5—F289.2 (2)C29—C28—H281119.8
F1—P5—F385.3 (3)C28—C29—C30120.6 (4)
F2—P5—F388.8 (4)C28—C29—H291119.7
F1—P5—F4178.2 (2)C30—C29—H291119.7
F2—P5—F489.1 (2)C25—C30—C29119.9 (4)
F3—P5—F494.9 (3)C25—C30—H301120.1
F1—P5—F589.2 (2)C29—C30—H301120.1
F2—P5—F5176.6 (3)P3—C31—C32120.1 (3)
F3—P5—F588.1 (3)P3—C31—C36121.3 (3)
F4—P5—F592.5 (2)C32—C31—C36118.4 (3)
F1—P5—F694.6 (3)C31—C32—C33120.6 (4)
F2—P5—F691.4 (5)C31—C32—H321119.7
F3—P5—F6179.9 (5)C33—C32—H321119.7
F4—P5—F685.1 (3)C32—C33—C34120.3 (4)
F5—P5—F691.8 (4)C32—C33—H331119.8
F1—P5—F2196.9 (7)C34—C33—H331119.8
F4—P5—F2182.2 (7)C33—C34—C35120.1 (3)
F1—P5—F31102.0 (6)C33—C34—H341120.0
F4—P5—F3179.5 (6)C35—C34—H341120.0
F1—P5—F5186.3 (8)C34—C35—C36119.7 (4)
F4—P5—F5194.6 (8)C34—C35—H351120.1
F1—P5—F6184.6 (5)C36—C35—H351120.1
F4—P5—F6193.9 (5)C31—C36—C35120.9 (4)
F21—P5—F3188.7 (11)C31—C36—H361119.6
F21—P5—F51176.8 (11)C35—C36—H361119.6
F31—P5—F5191.5 (11)P4—C37—C38119.3 (3)
F21—P5—F6191.0 (10)P4—C37—C42122.1 (3)
F31—P5—F61173.4 (8)C38—C37—C42118.4 (3)
F51—P5—F6188.5 (10)C37—C38—C39120.6 (4)
P1—C1—C2120.1 (3)C37—C38—H381119.7
P1—C1—C6120.2 (3)C39—C38—H381119.7
C2—C1—C6119.5 (3)C38—C39—C40120.1 (4)
C1—C2—C3120.1 (3)C38—C39—H391120.0
C1—C2—H21119.9C40—C39—H391120.0
C3—C2—H21119.9C39—C40—C41120.0 (4)
C2—C3—C4120.1 (4)C39—C40—H401120.0
C2—C3—H31119.9C41—C40—H401120.0
C4—C3—H31119.9C40—C41—C42120.1 (4)
C3—C4—C5119.7 (3)C40—C41—H411119.9
C3—C4—H41120.2C42—C41—H411119.9
C5—C4—H41120.1C37—C42—C41120.7 (4)
C4—C5—C6120.8 (4)C37—C42—H421119.6
C4—C5—H51119.6C41—C42—H421119.6
C6—C5—H51119.6P4—C43—C44118.8 (3)
C1—C6—C5119.8 (4)P4—C43—C48121.7 (3)
C1—C6—H61120.1C44—C43—C48118.5 (4)
C5—C6—H61120.1C43—C44—C45120.1 (5)
P1—C7—C8118.5 (4)C43—C44—H441119.9
P1—C7—C12123.0 (3)C45—C44—H441119.9
C8—C7—C12118.2 (4)C44—C45—C46119.7 (4)
C7—C8—C9120.2 (6)C44—C45—H451120.2
C7—C8—H81119.9C46—C45—H451120.1
C9—C8—H81119.9C45—C46—C47120.7 (5)
C8—C9—C10120.3 (6)C45—C46—H461119.6
C8—C9—H91119.8C47—C46—H461119.7
C10—C9—H91119.8C46—C47—C48119.8 (6)
C9—C10—C11120.7 (6)C46—C47—H471120.1
C9—C10—H101119.6C48—C47—H471120.1
C11—C10—H101119.6C43—C48—C47121.1 (5)
C10—C11—C12119.7 (7)C43—C48—H481119.5
C10—C11—H111120.1C47—C48—H481119.4
C12—C11—H111120.1P1—C49—P294.24 (15)
C7—C12—C11120.7 (5)P1—C49—H491113.13
C7—C12—H121119.6P2—C49—H491113.13
C11—C12—H121119.6P1—C49—H492113.14
P2—C13—C14118.3 (3)P2—C49—H492113.14
P2—C13—C18122.3 (3)H491—C49—H492109.467
C14—C13—C18119.3 (3)P3—C50—P496.68 (18)
C13—C14—C15120.6 (4)P3—C50—H501112.57
C13—C14—H141119.7P4—C50—H501112.56
C15—C14—H141119.7P3—C50—H502112.57
C14—C15—C16119.1 (4)P4—C50—H502112.57
C14—C15—H151120.5H501—C50—H502109.467
Ru1—P1—C1—C246.7 (4)O1—Ru1—P2—C13145.2 (2)
Ru1—P1—C1—C6138.2 (3)O1—Ru1—P2—C1910.2 (2)
Ru1—P1—C7—C879.6 (3)O1—Ru1—P2—C49100.9 (1)
Ru1—P1—C7—C1293.9 (4)O1—Ru1—P3—C2560.6 (2)
Ru1—P1—C49—P216.8 (1)O1—Ru1—P3—C3173.5 (2)
Ru1—P2—C13—C1465.0 (3)O1—Ru1—P3—C50174.1 (2)
Ru1—P2—C13—C18118.7 (3)O1—Ru1—P4—C37151.7 (4)
Ru1—P2—C19—C2039.8 (3)O1—Ru1—P4—C4375.8 (4)
Ru1—P2—C19—C24146.2 (2)O1—Ru1—P4—C5038.5 (4)
Ru1—P2—C49—P117.1 (1)C1—P1—C7—C864.1 (4)
Ru1—P3—C25—C2662.4 (4)C1—P1—C7—C12122.4 (4)
Ru1—P3—C25—C30121.9 (3)C1—C2—C3—C40.3 (7)
Ru1—P3—C31—C3244.4 (3)C1—C6—C5—C40.8 (6)
Ru1—P3—C31—C36141.6 (2)C2—C1—P1—C787.5 (4)
Ru1—P3—C50—P414.3 (2)C2—C1—P1—C49159.6 (3)
Ru1—P4—C37—C3867.3 (3)C2—C1—C6—C51.6 (6)
Ru1—P4—C37—C42117.5 (3)C2—C3—C4—C51.1 (7)
Ru1—P4—C43—C4454.8 (4)C3—C2—C1—C61.0 (7)
Ru1—P4—C43—C48136.8 (4)C3—C4—C5—C60.5 (6)
Ru1—P4—C50—P314.8 (2)C6—C1—P1—C787.6 (3)
Cl1—Ru1—P1—C149.6 (2)C6—C1—P1—C4925.3 (4)
Cl1—Ru1—P1—C781.1 (1)C7—C8—C9—C100.8 (9)
Cl1—Ru1—P1—C49167.9 (1)C7—C12—C11—C102 (1)
Cl1—Ru1—P2—C13135.5 (2)C8—C7—P1—C49177.4 (3)
Cl1—Ru1—P2—C1989.5 (2)C8—C7—C12—C111.7 (8)
Cl1—Ru1—P2—C4921.6 (2)C8—C9—C10—C110 (1)
Cl1—Ru1—P3—C25142.4 (2)C9—C8—C7—C120.2 (7)
Cl1—Ru1—P3—C318.2 (2)C9—C10—C11—C121 (1)
Cl1—Ru1—P3—C50104.1 (1)C12—C7—P1—C499.1 (5)
Cl1—Ru1—P4—C37142.2 (1)C13—P2—C19—C20105.9 (3)
Cl1—Ru1—P4—C439.6 (2)C13—P2—C19—C2468.1 (3)
Cl1—Ru1—P4—C50104.6 (2)C13—C14—C15—C161.3 (6)
P1—Ru1—P2—C13127.9 (2)C13—C18—C17—C160.7 (7)
P1—Ru1—P2—C1997.0 (1)C14—C13—P2—C1976.9 (3)
P1—Ru1—P2—C4914.0 (1)C14—C13—P2—C49174.7 (3)
P1—Ru1—P4—C3748.5 (1)C14—C13—C18—C170.2 (6)
P1—Ru1—P4—C4384.0 (2)C14—C15—C16—C170.5 (7)
P1—Ru1—P4—C50161.7 (1)C15—C14—C13—C181.2 (6)
P1—C1—C2—C3174.1 (4)C15—C16—C17—C180.5 (7)
P1—C1—C6—C5173.5 (3)C18—C13—P2—C1999.4 (3)
P1—C7—C8—C9173.6 (4)C18—C13—P2—C499.1 (4)
P1—C7—C12—C11171.8 (5)C19—C20—C21—C222.1 (6)
P1—C49—P2—C13149.0 (2)C19—C24—C23—C221.4 (6)
P1—C49—P2—C19106.5 (2)C20—C19—P2—C49145.7 (3)
P2—Ru1—P1—C1132.5 (2)C20—C19—C24—C233.6 (5)
P2—Ru1—P1—C796.8 (1)C20—C21—C22—C230.1 (7)
P2—Ru1—P1—C4914.2 (1)C21—C20—C19—C243.8 (5)
P2—Ru1—P3—C2537.0 (2)C21—C22—C23—C240.4 (7)
P2—Ru1—P3—C31171.1 (1)C24—C19—P2—C4940.3 (3)
P2—Ru1—P3—C5076.6 (1)C25—P3—C31—C32100.3 (3)
P2—Ru1—P4—C3722.6 (1)C25—P3—C31—C3673.7 (3)
P2—Ru1—P4—C43155.1 (2)C25—C26—C27—C280.7 (7)
P2—Ru1—P4—C5090.6 (2)C25—C30—C29—C280.4 (7)
P2—C13—C14—C15177.6 (3)C26—C25—P3—C3179.5 (4)
P2—C13—C18—C17176.4 (3)C26—C25—P3—C50169.9 (4)
P2—C19—C20—C21177.8 (3)C26—C25—C30—C290.5 (7)
P2—C19—C24—C23177.7 (3)C26—C27—C28—C290.5 (7)
P2—C49—P1—C1151.9 (2)C27—C26—C25—C300.7 (7)
P2—C49—P1—C798.6 (2)C27—C28—C29—C300.4 (7)
P3—Ru1—P2—C1347.0 (2)C30—C25—P3—C3196.2 (4)
P3—Ru1—P2—C1988.1 (1)C30—C25—P3—C5014.4 (4)
P3—Ru1—P2—C49160.9 (1)C31—C32—C33—C340.7 (5)
P3—Ru1—P4—C37125.1 (1)C31—C36—C35—C340.4 (5)
P3—Ru1—P4—C43102.4 (2)C32—C31—P3—C50149.6 (3)
P3—Ru1—P4—C5011.8 (1)C32—C31—C36—C350.1 (5)
P3—C25—C26—C27175.2 (4)C32—C33—C34—C350.4 (6)
P3—C25—C30—C29175.1 (3)C33—C32—C31—C360.5 (5)
P3—C31—C32—C33173.7 (3)C33—C34—C35—C360.2 (6)
P3—C31—C36—C35174.2 (3)C36—C31—P3—C5036.4 (3)
P3—C50—P4—C37145.3 (2)C37—P4—C43—C4488.7 (4)
P3—C50—P4—C43111.3 (2)C37—P4—C43—C4879.8 (5)
P4—Ru1—P1—C144.5 (2)C37—C38—C39—C400.6 (7)
P4—Ru1—P1—C7175.2 (1)C37—C42—C41—C400.5 (7)
P4—Ru1—P1—C4973.8 (1)C38—C37—P4—C4373.6 (3)
P4—Ru1—P2—C1324.4 (2)C38—C37—P4—C50176.3 (3)
P4—Ru1—P2—C19159.5 (1)C38—C37—C42—C411.0 (6)
P4—Ru1—P2—C4989.4 (1)C38—C39—C40—C410.1 (8)
P4—Ru1—P3—C25125.4 (2)C39—C38—C37—C421.0 (6)
P4—Ru1—P3—C31100.5 (2)C39—C40—C41—C420.1 (8)
P4—Ru1—P3—C5011.8 (1)C42—C37—P4—C43101.6 (3)
P4—C37—C38—C39176.4 (4)C42—C37—P4—C508.5 (4)
P4—C37—C42—C41176.2 (3)C43—C44—C45—C462.0 (8)
P4—C43—C44—C45168.6 (4)C43—C48—C47—C462 (1)
P4—C43—C48—C47170.0 (6)C44—C43—P4—C50163.0 (4)
P4—C50—P3—C25144.8 (2)C44—C43—C48—C471.5 (9)
P4—C50—P3—C31110.5 (2)C44—C45—C46—C472 (1)
O1—Ru1—P1—C1131.0 (2)C45—C44—C43—C480.3 (8)
O1—Ru1—P1—C70.3 (2)C45—C46—C47—C480 (1)
O1—Ru1—P1—C49110.8 (2)C48—C43—P4—C5028.5 (5)
Symmetry codes: (i) x, y1, z; (ii) x, y+1, z+1/2; (iii) x+1/2, y+3/2, z+1/2; (iv) x+1/2, y1/2, z; (v) x+1/2, y+1/2, z+1/2; (vi) x1/2, y1/2, z; (vii) x1/2, y+3/2, z1/2; (viii) x, y+2, z1/2; (ix) x, y+1, z1/2; (x) x+1/2, y+1/2, z; (xi) x, y+2, z+1/2; (xii) x, y+1, z.
 

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