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In the monoclinic crystal structure of the title compound, trans-[Ru(C3H5OS2)2(C18H15P)2]PF6·H2O, the structure of the RuIII complex cation is very similar to that in the ortho­rhom­bic crystal of the nonhydrated complex [Noda, Ohuchi, Hashimoto, Fujiki, Itoh, Iwatsuki, Noda, Suzuki, Kashiwabara & Takagi (2006), Inorg. Chem. 45, 1349-1355]. In the present crystal structure, the P-Ru-P bond axes of the complex cations are aligned parallel to the [101] direction.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806013420/ob2010sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806013420/ob2010Isup2.hkl
Contains datablock I

CCDC reference: 608465

Key indicators

  • Single-crystal X-ray study
  • T = 200 K
  • Mean [sigma](C-C) = 0.007 Å
  • Disorder in solvent or counterion
  • R factor = 0.058
  • wR factor = 0.155
  • Data-to-parameter ratio = 19.5

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.51 Ratio PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C7
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.99 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C39 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for P3 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 11.00 Perc. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 49.00 A   3
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 7 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 4 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 4 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: CrystalClear (Rigaku, 2001); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku/MSC, 2004); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

trans-Bis(O-ethylxanthato)bis(triphenylphosphine)ruthenium(III) hexafluorophosphate monohydrate top
Crystal data top
[Ru(C3H5OS2)2(C18H15P)2]PF6·H2OF(000) = 2100
Mr = 1030.98Dx = 1.48 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71070 Å
a = 13.9877 (9) ÅCell parameters from 7940 reflections
b = 16.2122 (10) Åθ = 3.0–27.5°
c = 20.5103 (13) ŵ = 0.69 mm1
β = 95.904 (1)°T = 200 K
V = 4626.5 (5) Å3Platelet, brown
Z = 40.30 × 0.22 × 0.02 mm
Data collection top
Rigaku/MSC Mercury CCD area-detector
diffractometer
10523 independent reflections
Radiation source: fine-focus sealed tube8337 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.045
Detector resolution: 14.63 pixels mm-1θmax = 27.5°, θmin = 3.0°
ω scansh = 1818
Absorption correction: multi-scan
(ABSCOR; Higashi, 1999)
k = 2021
Tmin = 0.872, Tmax = 0.999l = 2623
45552 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.058Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.156H-atom parameters constrained
S = 1.12 w = 1/[σ2(Fo2) + (0.0619P)2 + 6.0622P]
where P = (Fo2 + 2Fc2)/3
10523 reflections(Δ/σ)max = 0.001
541 parametersΔρmax = 1.19 e Å3
0 restraintsΔρmin = 0.69 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ru10.66559 (2)0.23346 (2)0.424049 (15)0.02360 (11)
S10.76618 (7)0.34591 (7)0.40442 (5)0.0311 (2)
S20.58537 (8)0.35544 (7)0.45350 (5)0.0313 (2)
S60.57114 (8)0.11646 (7)0.44461 (6)0.0329 (2)
S70.74703 (8)0.11672 (7)0.38861 (5)0.0317 (2)
P10.76385 (8)0.22020 (7)0.52949 (5)0.0281 (2)
P20.55992 (7)0.24538 (6)0.32201 (5)0.0236 (2)
P30.94909 (9)0.25472 (8)0.25808 (6)0.0384 (3)
F10.8817 (2)0.3277 (2)0.22778 (16)0.0632 (9)
F21.0320 (3)0.2858 (3)0.2175 (2)0.0937 (14)
F30.9887 (3)0.3128 (2)0.31758 (19)0.0814 (11)
F40.9085 (3)0.1962 (3)0.20075 (19)0.0911 (13)
F50.8656 (2)0.2246 (2)0.30035 (18)0.0746 (11)
F61.0173 (2)0.18204 (19)0.28838 (18)0.0653 (9)
O10.6921 (3)0.4888 (2)0.43083 (18)0.0505 (9)
O60.6600 (2)0.0220 (2)0.40749 (18)0.0479 (9)
O510.5725 (16)0.0787 (7)0.0227 (8)0.194 (11)0.50
O520.5301 (8)0.0411 (9)0.0002 (7)0.121 (7)0.50
C10.6808 (3)0.4081 (3)0.4308 (2)0.0343 (10)
C20.6173 (5)0.5397 (3)0.4565 (4)0.0720 (19)
C30.6412 (6)0.6258 (4)0.4489 (4)0.088 (2)
C60.6576 (3)0.0586 (3)0.4133 (2)0.0366 (10)
C70.5779 (4)0.0690 (4)0.4255 (4)0.084 (2)
C80.6065 (4)0.1556 (3)0.4358 (3)0.0552 (14)
C110.8939 (3)0.2117 (3)0.5271 (2)0.0354 (10)
C120.9520 (4)0.1953 (4)0.5856 (2)0.0521 (14)
C131.0492 (4)0.1822 (5)0.5858 (3)0.0693 (19)
C141.0912 (4)0.1868 (5)0.5276 (3)0.083 (2)
C151.0351 (4)0.2022 (5)0.4689 (3)0.0678 (18)
C160.9375 (3)0.2145 (3)0.4689 (2)0.0447 (12)
C170.7473 (3)0.3084 (3)0.5830 (2)0.0347 (10)
C180.6571 (4)0.3228 (3)0.6050 (2)0.0407 (11)
C190.6417 (5)0.3912 (4)0.6428 (2)0.0563 (15)
C200.7137 (5)0.4471 (4)0.6577 (3)0.0692 (18)
C210.8019 (5)0.4349 (4)0.6354 (3)0.0708 (18)
C220.8201 (4)0.3652 (3)0.5985 (3)0.0519 (13)
C230.7426 (3)0.1269 (3)0.5775 (2)0.0332 (10)
C240.6897 (4)0.1258 (3)0.6307 (2)0.0433 (11)
C250.6785 (4)0.0530 (4)0.6649 (3)0.0572 (15)
C260.7183 (5)0.0197 (4)0.6463 (3)0.0609 (16)
C270.7708 (5)0.0200 (4)0.5926 (3)0.0605 (15)
C280.7833 (4)0.0527 (3)0.5584 (2)0.0467 (12)
C290.4308 (3)0.2419 (2)0.33015 (19)0.0249 (8)
C300.3664 (3)0.2347 (3)0.2736 (2)0.0364 (10)
C310.2683 (3)0.2387 (3)0.2768 (3)0.0444 (12)
C320.2322 (3)0.2505 (3)0.3369 (3)0.0466 (13)
C330.2946 (3)0.2549 (3)0.3931 (2)0.0414 (11)
C340.3937 (3)0.2504 (3)0.3897 (2)0.0321 (10)
C350.5755 (3)0.1605 (3)0.2652 (2)0.0299 (9)
C360.5251 (3)0.0873 (3)0.2718 (2)0.0405 (11)
C370.5416 (4)0.0177 (3)0.2348 (3)0.0504 (13)
C380.6076 (4)0.0218 (4)0.1903 (3)0.0551 (14)
C390.6592 (5)0.0922 (4)0.1836 (3)0.0667 (18)
C400.6434 (4)0.1617 (3)0.2205 (2)0.0465 (12)
C410.5731 (3)0.3432 (2)0.27843 (19)0.0274 (9)
C420.4979 (3)0.3994 (3)0.2694 (2)0.0383 (11)
C430.5106 (4)0.4757 (3)0.2392 (3)0.0504 (13)
C440.5989 (4)0.4953 (3)0.2184 (3)0.0497 (13)
C450.6741 (3)0.4393 (3)0.2268 (2)0.0408 (11)
C460.6617 (3)0.3643 (3)0.2571 (2)0.0321 (9)
H2A0.55410.52760.43210.089*
H2B0.61360.52700.50330.089*
H3A0.70420.63710.47270.107*
H3B0.59240.66020.46660.107*
H3C0.64310.63830.40230.107*
H7A0.52420.06510.39020.107*
H7B0.55590.04610.46620.107*
H8A0.62840.17780.39550.066*
H8B0.55130.18770.44750.066*
H8C0.65870.15920.47140.066*
H120.92380.19320.62580.062*
H131.08740.17010.62560.084*
H141.15860.17930.52780.096*
H151.06390.20420.42890.078*
H160.89940.22510.42870.054*
H180.60600.28520.59370.049*
H190.58080.39930.65860.068*
H200.70280.49430.68340.083*
H210.85140.47450.64520.085*
H220.88190.35690.58420.064*
H240.66080.17520.64410.053*
H250.64270.05350.70180.069*
H260.70990.06910.66990.072*
H270.79840.06990.57900.073*
H280.81970.05210.52180.056*
H300.39040.22700.23230.045*
H310.22550.23340.23790.053*
H320.16490.25550.33910.056*
H330.27030.26090.43440.050*
H340.43620.25340.42890.039*
H360.47830.08490.30230.050*
H370.50740.03200.24040.060*
H380.61770.02480.16370.066*
H390.70640.09360.15350.083*
H400.67940.21050.21510.057*
H420.43730.38600.28380.046*
H430.45890.51380.23300.062*
H440.60810.54710.19830.060*
H450.73430.45240.21170.049*
H460.71390.32680.26340.040*
H51A0.60460.04380.00050.091*0.50
H51B0.53170.07590.04160.091*0.50
H52A0.58870.03030.00860.091*0.50
H52B0.50180.02560.01890.091*0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru10.0233 (2)0.0247 (2)0.0232 (2)0.0005 (1)0.0043 (1)0.0015 (1)
S10.0301 (5)0.0295 (6)0.0343 (6)0.0055 (4)0.0050 (4)0.0022 (4)
S20.0328 (5)0.0288 (6)0.0329 (6)0.0029 (4)0.0064 (4)0.0020 (4)
S60.0309 (5)0.0286 (6)0.0406 (6)0.0031 (4)0.0102 (5)0.0063 (5)
S70.0304 (5)0.0303 (6)0.0353 (6)0.0041 (4)0.0079 (4)0.0002 (4)
P10.0284 (5)0.0343 (6)0.0216 (5)0.0010 (4)0.0032 (4)0.0024 (4)
P20.0230 (5)0.0272 (6)0.0209 (5)0.0007 (4)0.0037 (4)0.0013 (4)
P30.0306 (6)0.0410 (7)0.0447 (7)0.0007 (5)0.0091 (5)0.0035 (5)
F10.0503 (18)0.068 (2)0.072 (2)0.0179 (16)0.0097 (16)0.0224 (17)
F20.056 (2)0.108 (3)0.125 (3)0.014 (2)0.051 (2)0.046 (3)
F30.092 (3)0.057 (2)0.089 (3)0.001 (2)0.018 (2)0.017 (2)
F40.112 (3)0.084 (3)0.071 (2)0.002 (2)0.022 (2)0.027 (2)
F50.053 (2)0.101 (3)0.074 (2)0.0008 (19)0.0242 (18)0.030 (2)
F60.0524 (19)0.0427 (18)0.098 (3)0.0080 (14)0.0069 (18)0.0062 (17)
O10.062 (2)0.0275 (18)0.064 (2)0.0020 (16)0.0128 (18)0.0029 (16)
O60.046 (2)0.0307 (18)0.069 (2)0.0011 (15)0.0172 (17)0.0013 (16)
O510.37 (3)0.035 (7)0.159 (18)0.035 (11)0.063 (17)0.037 (8)
O520.058 (7)0.22 (2)0.088 (8)0.031 (9)0.045 (7)0.022 (12)
C10.045 (3)0.026 (2)0.031 (2)0.0054 (19)0.0006 (19)0.0009 (18)
C20.082 (5)0.034 (3)0.104 (5)0.012 (3)0.030 (4)0.005 (3)
C30.141 (7)0.036 (3)0.096 (5)0.009 (4)0.058 (5)0.007 (3)
C60.040 (2)0.028 (2)0.042 (3)0.0004 (19)0.002 (2)0.0015 (19)
C70.056 (4)0.036 (3)0.165 (7)0.000 (3)0.039 (4)0.023 (4)
C80.078 (4)0.033 (3)0.055 (3)0.005 (3)0.008 (3)0.004 (2)
C110.031 (2)0.049 (3)0.026 (2)0.000 (2)0.0045 (17)0.0009 (19)
C120.041 (3)0.084 (4)0.030 (2)0.004 (3)0.002 (2)0.005 (3)
C130.043 (3)0.115 (6)0.046 (3)0.018 (3)0.015 (3)0.006 (3)
C140.028 (3)0.152 (7)0.067 (4)0.015 (4)0.001 (3)0.007 (4)
C150.035 (3)0.116 (6)0.053 (3)0.010 (3)0.006 (2)0.018 (4)
C160.027 (2)0.070 (4)0.036 (3)0.001 (2)0.0025 (19)0.011 (2)
C170.040 (2)0.039 (3)0.024 (2)0.000 (2)0.0021 (18)0.0024 (18)
C180.048 (3)0.044 (3)0.031 (2)0.008 (2)0.006 (2)0.000 (2)
C190.069 (4)0.064 (4)0.035 (3)0.016 (3)0.006 (3)0.006 (3)
C200.091 (5)0.059 (4)0.055 (4)0.016 (4)0.003 (3)0.025 (3)
C210.083 (5)0.052 (4)0.074 (4)0.014 (3)0.005 (4)0.018 (3)
C220.050 (3)0.051 (3)0.054 (3)0.009 (3)0.000 (2)0.007 (3)
C230.036 (2)0.036 (3)0.027 (2)0.0001 (19)0.0018 (18)0.0063 (18)
C240.049 (3)0.043 (3)0.039 (3)0.002 (2)0.012 (2)0.006 (2)
C250.068 (4)0.057 (4)0.051 (3)0.009 (3)0.027 (3)0.013 (3)
C260.082 (4)0.047 (3)0.056 (3)0.006 (3)0.015 (3)0.022 (3)
C270.081 (4)0.042 (3)0.058 (4)0.013 (3)0.008 (3)0.009 (3)
C280.066 (3)0.040 (3)0.035 (3)0.009 (2)0.015 (2)0.009 (2)
C290.0233 (19)0.026 (2)0.026 (2)0.0018 (15)0.0030 (15)0.0041 (16)
C300.034 (2)0.042 (3)0.032 (2)0.002 (2)0.0025 (19)0.000 (2)
C310.031 (2)0.052 (3)0.046 (3)0.001 (2)0.012 (2)0.006 (2)
C320.023 (2)0.061 (3)0.055 (3)0.002 (2)0.004 (2)0.005 (3)
C330.030 (2)0.057 (3)0.039 (3)0.000 (2)0.010 (2)0.001 (2)
C340.025 (2)0.039 (3)0.032 (2)0.0029 (17)0.0014 (17)0.0023 (18)
C350.032 (2)0.031 (2)0.026 (2)0.0015 (17)0.0005 (17)0.0015 (17)
C360.041 (3)0.038 (3)0.043 (3)0.001 (2)0.008 (2)0.006 (2)
C370.060 (3)0.032 (3)0.058 (3)0.004 (2)0.001 (3)0.014 (2)
C380.059 (3)0.052 (3)0.054 (3)0.008 (3)0.010 (3)0.025 (3)
C390.069 (4)0.068 (4)0.070 (4)0.001 (3)0.038 (3)0.024 (3)
C400.047 (3)0.048 (3)0.047 (3)0.001 (2)0.020 (2)0.013 (2)
C410.032 (2)0.027 (2)0.024 (2)0.0000 (17)0.0061 (16)0.0010 (16)
C420.036 (2)0.037 (3)0.045 (3)0.0035 (19)0.015 (2)0.009 (2)
C430.058 (3)0.034 (3)0.063 (3)0.013 (2)0.024 (3)0.013 (2)
C440.064 (3)0.032 (3)0.056 (3)0.005 (2)0.019 (3)0.015 (2)
C450.044 (3)0.041 (3)0.040 (3)0.008 (2)0.016 (2)0.006 (2)
C460.030 (2)0.038 (3)0.029 (2)0.0008 (18)0.0070 (17)0.0040 (19)
Geometric parameters (Å, º) top
Ru1—S12.3626 (11)C36—C371.394 (6)
Ru1—S22.3821 (11)C37—C381.364 (7)
Ru1—S62.3740 (11)C38—C391.365 (8)
Ru1—S72.3618 (11)C39—C401.389 (7)
Ru1—P12.4497 (11)C41—C421.391 (6)
Ru1—P22.4426 (10)C41—C461.398 (6)
S1—C11.694 (5)C42—C431.404 (6)
S2—C11.690 (5)C43—C441.385 (7)
S6—C61.707 (5)C44—C451.386 (7)
S7—C61.685 (5)C45—C461.384 (6)
P1—C111.830 (4)O51—H51A0.8400
P1—C171.832 (5)O51—H51B0.6570
P1—C231.845 (4)O52—H52A0.8400
P2—C291.832 (4)O52—H52B0.6367
P2—C351.830 (4)C2—H2A0.9900
P2—C411.838 (4)C2—H2B0.9900
P3—F11.598 (3)C3—H3A0.9800
P3—F21.578 (3)C3—H3B0.9800
P3—F31.595 (4)C3—H3C0.9800
P3—F41.571 (4)C7—H7A0.9900
P3—F51.601 (3)C7—H7B0.9900
P3—F61.601 (3)C8—H8A0.9800
O1—C11.317 (5)C8—H8B0.9800
O1—C21.471 (6)C8—H8C0.9800
O6—C61.314 (5)C12—H120.9500
O6—C71.456 (6)C13—H130.9500
C2—C31.447 (8)C14—H140.9500
C7—C81.470 (7)C15—H150.9500
C11—C121.405 (6)C16—H160.9500
C11—C161.397 (6)C18—H180.9500
C12—C131.375 (7)C19—H190.9500
C13—C141.386 (8)C20—H200.9500
C14—C151.390 (8)C21—H210.9500
C15—C161.380 (7)C22—H220.9500
C17—C181.403 (6)C24—H240.9500
C17—C221.386 (7)C25—H250.9500
C18—C191.384 (7)C26—H260.9500
C19—C201.366 (9)C27—H270.9500
C20—C211.373 (9)C28—H280.9500
C21—C221.397 (8)C30—H300.9500
C23—C241.381 (6)C31—H310.9500
C23—C281.404 (7)C32—H320.9500
C24—C251.391 (7)C33—H330.9500
C25—C261.374 (8)C34—H340.9500
C26—C271.386 (8)C36—H360.9500
C27—C281.390 (7)C37—H370.9500
C29—C301.399 (6)C38—H380.9500
C29—C341.382 (6)C39—H390.9500
C30—C311.381 (6)C40—H400.9500
C31—C321.394 (7)C42—H420.9500
C32—C331.374 (7)C43—H430.9500
C33—C341.398 (6)C44—H440.9500
C35—C361.394 (6)C45—H450.9500
C35—C401.386 (6)C46—H460.9500
S1—Ru1—S272.96 (4)C2—C3—H3A109.5
S1—Ru1—S6177.27 (4)C2—C3—H3B109.5
S1—Ru1—S7104.56 (4)H3A—C3—H3B109.5
S1—Ru1—P185.89 (4)C2—C3—H3C109.5
S1—Ru1—P296.40 (4)H3A—C3—H3C109.5
S2—Ru1—S6109.45 (4)H3B—C3—H3C109.5
S2—Ru1—S7176.37 (4)O6—C7—H7A109.9
S2—Ru1—P194.88 (4)C8—C7—H7A109.9
S2—Ru1—P283.82 (4)O6—C7—H7B109.9
S6—Ru1—S773.10 (4)C8—C7—H7B109.9
S6—Ru1—P192.58 (4)H7A—C7—H7B108.3
S6—Ru1—P285.22 (4)C7—C8—H8A109.5
S7—Ru1—P187.52 (4)C7—C8—H8B109.5
S7—Ru1—P293.91 (4)H8A—C8—H8B109.5
P1—Ru1—P2176.90 (4)C7—C8—H8C109.5
C1—S1—Ru187.32 (15)H8A—C8—H8C109.5
C1—S2—Ru186.77 (16)H8B—C8—H8C109.5
C6—S6—Ru186.74 (16)C13—C12—H12119.5
C6—S7—Ru187.66 (16)C11—C12—H12119.5
C11—P1—C17105.2 (2)C12—C13—H13120.1
C11—P1—C2399.7 (2)C14—C13—H13120.1
C17—P1—C23106.4 (2)C13—C14—H14119.9
C11—P1—Ru1116.87 (14)C15—C14—H14119.9
C17—P1—Ru1111.51 (14)C16—C15—H15120.1
C23—P1—Ru1115.85 (14)C14—C15—H15120.1
C29—P2—C35102.58 (19)C15—C16—H16119.5
C29—P2—C41102.75 (18)C11—C16—H16119.5
C35—P2—C41108.31 (19)C19—C18—H18119.7
C29—P2—Ru1115.78 (13)C17—C18—H18119.7
C35—P2—Ru1112.62 (13)C20—C19—H19119.9
C41—P2—Ru1113.74 (13)C18—C19—H19119.9
C1—O1—C2117.8 (4)C19—C20—H20120.1
C6—O6—C7118.0 (4)C21—C20—H20120.1
O1—C1—S1120.2 (3)C20—C21—H21119.5
O1—C1—S2126.9 (4)C22—C21—H21119.5
S1—C1—S2112.9 (3)C17—C22—H22120.3
C3—C2—O1108.8 (5)C21—C22—H22120.3
O6—C6—S6127.3 (4)C23—C24—H24119.8
O6—C6—S7120.2 (3)C25—C24—H24119.8
S6—C6—S7112.5 (3)C26—C25—H25119.4
O6—C7—C8109.1 (5)C24—C25—H25119.4
C12—C11—C16118.1 (4)C25—C26—H26120.4
C12—C11—P1118.8 (3)C27—C26—H26120.4
C16—C11—P1122.9 (3)C26—C27—H27120.0
C11—C12—C13121.1 (5)C28—C27—H27120.0
C12—C13—C14119.8 (5)C27—C28—H28119.6
C13—C14—C15120.3 (5)C23—C28—H28119.6
C14—C15—C16119.8 (5)C31—C30—H30119.5
C11—C16—C15120.9 (5)C29—C30—H30119.5
C18—C17—C22118.7 (5)C30—C31—H31120.0
C18—C17—P1119.7 (4)C32—C31—H31120.0
C22—C17—P1121.5 (4)C33—C32—H32120.3
C17—C18—C19120.7 (5)C31—C32—H32120.3
C18—C19—C20120.2 (6)C32—C33—H33119.9
C19—C20—C21119.9 (6)C34—C33—H33119.9
C20—C21—C22121.1 (6)C29—C34—H34119.6
C17—C22—C21119.5 (5)C33—C34—H34119.6
C24—C23—C28118.3 (4)C37—C36—H36119.3
C24—C23—P1124.1 (4)C35—C36—H36119.3
C28—C23—P1117.5 (3)C38—C37—H37120.4
C23—C24—C25120.4 (5)C36—C37—H37120.4
C24—C25—C26121.3 (5)C37—C38—H38119.7
C25—C26—C27119.1 (5)C39—C38—H38119.7
C26—C27—C28120.1 (5)C38—C39—H39119.7
C23—C28—C27120.8 (5)C40—C39—H39119.7
C30—C29—C34118.3 (4)C35—C40—H40119.8
C30—C29—P2118.9 (3)C39—C40—H40119.8
C34—C29—P2122.7 (3)C41—C42—H42119.7
C29—C30—C31121.0 (4)C43—C42—H42119.7
C30—C31—C32120.1 (4)C44—C43—H43120.1
C31—C32—C33119.5 (4)C42—C43—H43120.1
C32—C33—C34120.3 (5)C45—C44—H44120.0
C29—C34—C33120.9 (4)C43—C44—H44120.0
C36—C35—C40117.7 (4)C46—C45—H45119.9
C36—C35—P2118.9 (3)C44—C45—H45119.9
C40—C35—P2123.0 (4)C45—C46—H46119.6
C35—C36—C37121.5 (5)C41—C46—H46119.6
C36—C37—C38119.2 (5)H51A—O51—H51B132.0
C37—C38—C39120.5 (5)H52A—O52—H52B116.0
C38—C39—C40120.6 (5)F4—P3—F291.6 (3)
C35—C40—C39120.5 (5)F4—P3—F3178.4 (2)
C42—C41—C46118.7 (4)F2—P3—F389.9 (3)
C42—C41—P2121.2 (3)F4—P3—F190.2 (2)
C46—C41—P2120.0 (3)F2—P3—F189.68 (19)
C41—C42—C43120.5 (4)F3—P3—F190.3 (2)
C42—C43—C44119.7 (5)F4—P3—F589.6 (2)
C43—C44—C45120.1 (4)F2—P3—F5178.8 (3)
C44—C45—C46120.2 (4)F3—P3—F588.9 (2)
C41—C46—C45120.8 (4)F1—P3—F590.18 (18)
C3—C2—H2A109.9F4—P3—F690.1 (2)
O1—C2—H2A109.9F2—P3—F689.9 (2)
C3—C2—H2B109.9F3—P3—F689.51 (19)
O1—C2—H2B109.9F1—P3—F6179.5 (2)
H2A—C2—H2B108.3F5—P3—F690.22 (19)
S7—Ru1—S1—C1176.87 (15)C23—P1—C17—C22121.7 (4)
S2—Ru1—S1—C10.38 (15)Ru1—P1—C17—C22111.1 (4)
P2—Ru1—S1—C181.12 (15)C11—P1—C17—C18168.4 (4)
P1—Ru1—S1—C196.77 (15)C23—P1—C17—C1863.3 (4)
S1—Ru1—S2—C10.38 (15)Ru1—P1—C17—C1864.0 (4)
S6—Ru1—S2—C1179.04 (15)C22—C17—C18—C191.7 (7)
P2—Ru1—S2—C198.27 (15)P1—C17—C18—C19176.9 (4)
P1—Ru1—S2—C184.56 (15)C17—C18—C19—C202.0 (8)
S7—Ru1—S6—C60.57 (16)C18—C19—C20—C210.6 (9)
S2—Ru1—S6—C6177.85 (16)C19—C20—C21—C221.1 (10)
P2—Ru1—S6—C696.14 (16)C18—C17—C22—C210.0 (8)
P1—Ru1—S6—C686.05 (16)P1—C17—C22—C21175.1 (4)
S1—Ru1—S7—C6177.98 (16)C20—C21—C22—C171.4 (9)
S6—Ru1—S7—C60.58 (16)C11—P1—C23—C24131.5 (4)
P2—Ru1—S7—C684.37 (16)C17—P1—C23—C2422.4 (5)
P1—Ru1—S7—C692.87 (16)Ru1—P1—C23—C24102.2 (4)
S7—Ru1—P1—C1150.98 (18)C11—P1—C23—C2848.2 (4)
S1—Ru1—P1—C1153.81 (18)C17—P1—C23—C28157.3 (4)
S6—Ru1—P1—C11123.92 (18)Ru1—P1—C23—C2878.1 (4)
S2—Ru1—P1—C11126.30 (18)C28—C23—C24—C250.8 (7)
S7—Ru1—P1—C17171.97 (16)P1—C23—C24—C25178.9 (4)
S1—Ru1—P1—C1767.18 (16)C23—C24—C25—C260.9 (9)
S6—Ru1—P1—C17115.08 (16)C24—C25—C26—C270.3 (9)
S2—Ru1—P1—C175.30 (16)C25—C26—C27—C280.4 (10)
S7—Ru1—P1—C2366.08 (16)C26—C27—C28—C230.4 (9)
S1—Ru1—P1—C23170.88 (17)C24—C23—C28—C270.2 (8)
S6—Ru1—P1—C236.86 (17)P1—C23—C28—C27179.6 (4)
S2—Ru1—P1—C23116.64 (16)C35—P2—C29—C34137.0 (4)
S7—Ru1—P2—C355.05 (15)C41—P2—C29—C34110.6 (4)
S1—Ru1—P2—C35110.19 (15)Ru1—P2—C29—C3414.0 (4)
S6—Ru1—P2—C3567.60 (15)C35—P2—C29—C3046.6 (4)
S2—Ru1—P2—C35177.79 (15)C41—P2—C29—C3065.8 (4)
S7—Ru1—P2—C29122.65 (15)Ru1—P2—C29—C30169.7 (3)
S1—Ru1—P2—C29132.21 (15)C34—C29—C30—C312.0 (7)
S6—Ru1—P2—C2950.00 (15)P2—C29—C30—C31174.6 (4)
S2—Ru1—P2—C2960.20 (15)C29—C30—C31—C320.4 (7)
S7—Ru1—P2—C41118.66 (14)C30—C31—C32—C332.5 (8)
S1—Ru1—P2—C4113.52 (15)C31—C32—C33—C342.2 (8)
S6—Ru1—P2—C41168.69 (15)C30—C29—C34—C332.3 (6)
S2—Ru1—P2—C4158.49 (14)P2—C29—C34—C33174.1 (4)
C2—O1—C1—S23.5 (7)C32—C33—C34—C290.2 (7)
C2—O1—C1—S1177.8 (4)C29—P2—C35—C40147.6 (4)
Ru1—S2—C1—O1178.2 (4)C41—P2—C35—C4039.4 (4)
Ru1—S2—C1—S10.6 (2)Ru1—P2—C35—C4087.2 (4)
Ru1—S1—C1—O1178.3 (4)C29—P2—C35—C3640.0 (4)
Ru1—S1—C1—S20.6 (2)C41—P2—C35—C36148.2 (3)
C1—O1—C2—C3177.0 (5)Ru1—P2—C35—C3685.1 (4)
C7—O6—C6—S7176.0 (5)C40—C35—C36—C370.3 (7)
C7—O6—C6—S64.2 (7)P2—C35—C36—C37173.0 (4)
Ru1—S7—C6—O6179.0 (4)C35—C36—C37—C381.1 (8)
Ru1—S7—C6—S60.8 (2)C36—C37—C38—C392.2 (9)
Ru1—S6—C6—O6179.0 (4)C37—C38—C39—C402.0 (10)
Ru1—S6—C6—S70.8 (2)C36—C35—C40—C390.5 (7)
C6—O6—C7—C8162.1 (5)P2—C35—C40—C39172.9 (4)
C17—P1—C11—C16122.7 (4)C38—C39—C40—C350.6 (9)
C23—P1—C11—C16127.2 (4)C35—P2—C41—C42118.2 (4)
Ru1—P1—C11—C161.6 (5)C29—P2—C41—C4210.1 (4)
C17—P1—C11—C1262.4 (5)Ru1—P2—C41—C42115.8 (3)
C23—P1—C11—C1247.7 (5)C35—P2—C41—C4665.6 (4)
Ru1—P1—C11—C12173.4 (4)C29—P2—C41—C46173.6 (3)
C16—C11—C12—C130.1 (9)Ru1—P2—C41—C4660.4 (4)
P1—C11—C12—C13175.1 (5)C46—C41—C42—C430.2 (7)
C11—C12—C13—C141.2 (11)P2—C41—C42—C43176.5 (4)
C12—C13—C14—C151.8 (12)C41—C42—C43—C440.2 (8)
C13—C14—C15—C161.2 (12)C42—C43—C44—C450.7 (8)
C14—C15—C16—C110.1 (10)C43—C44—C45—C461.2 (8)
C12—C11—C16—C150.5 (9)C44—C45—C46—C411.3 (7)
P1—C11—C16—C15175.5 (5)C42—C41—C46—C450.8 (6)
C11—P1—C17—C2216.5 (5)P2—C41—C46—C45177.1 (3)
 

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