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The new triple-bridged dinuclear cation [(η6-C6Me6)2Ru22-p-S–C6H4–OH)(μ2-PPh2)(μ2-H)]+, isolated and characterized as the tetra­fluoro­borate salt, was prepared by reacting the precursor [(η6-C6Me6)2Ru22-H)22-PPh2)](BF4) and p-hydroxy­thio­phenol in refluxing ethanol. The single-crystal X-ray structure analysis of [(η6-C12H18)2Ru22-S–C6H4–OH)(μ2-H){μ2-P(C6H5)2}](BF4) shows the formation of the meso form; despite the two stereogenic centres the complex is not chiral.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806041146/bt2201sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806041146/bt2201Isup2.hkl
Contains datablock I

CCDC reference: 627354

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.032
  • wR factor = 0.062
  • Data-to-parameter ratio = 15.8

checkCIF/PLATON results

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Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.81 Ratio PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for B1 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C31 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C35 PLAT412_ALERT_2_C Short Intra XH3 .. XHn H22C .. H23B .. 1.86 Ang. PLAT412_ALERT_2_C Short Intra XH3 .. XHn H33C .. H34A .. 1.86 Ang.
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: EXPOSE in IPDS Software (Stoe & Cie, 2000); cell refinement: CELL in IPDS Software; data reduction: INTEGRATE in IPDS Software; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-32 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

[(η6-C6Me6)2Ru22-Cl)(µ2-H)(µ2-PPh2)][BF4] top
Crystal data top
[Ru2(C12H18)2(C6H5OS)H(C12H10P)](BF4)F(000) = 1888
Mr = 924.82Dx = 1.539 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 8000 reflections
a = 11.2081 (7) Åθ = 2.3–25.9°
b = 15.0744 (11) ŵ = 0.90 mm1
c = 23.6220 (16) ÅT = 173 K
β = 90.315 (8)°Block, red
V = 3991.0 (5) Å30.50 × 0.15 × 0.10 mm
Z = 4
Data collection top
Stoe IPDS
diffractometer
4812 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.077
Graphite monochromatorθmax = 25.9°, θmin = 2.0°
Detector resolution: 0.81Å pixels mm-1h = 1313
φ oscillation scansk = 1818
30321 measured reflectionsl = 2828
7664 independent 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)] = 0.032Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.062H atoms treated by a mixture of independent and constrained refinement
S = 0.81 w = 1/[σ2(Fo2) + (0.0231P)2]
where P = (Fo2 + 2Fc2)/3
7664 reflections(Δ/σ)max = 0.001
486 parametersΔρmax = 0.55 e Å3
0 restraintsΔρmin = 0.77 e Å3
Special details top

Experimental. A crystal was mounted at 173 K on a Stoe Image Plate Diffraction System (Stoe & Cie, 2000) using Mo Kα graphite monochromated radiation. Image plate distance 70 mm, φ oscillation scans 0 - 200°, step Δφ = 1.0°, 3 minutes per frame.

Silica gel (type G) used for preparative thin-layer chromatography was purchased from Macherey Nagel GmbH. Deuterated NMR solvent was purchased from Cambridge Isotope Laboratories Inc. NMR spectra were recorded using a Bruker AMX-400, and ESI mass spectrum was recorded at the University of Fribourg by Professor Titus Jenny. Microanalysis was carried out by the Laboratory of Pharmaceutical Chemistry, University of Geneva.

1H NMR (400?MHz, [D6] acetone, 25°C): 8.62 (s, 1H, OH), 7.53 (m, 6H, P—Ph), 7.44 (br, 4H, H—Ar), 7.03 (m, 4H, P—Ph), 1.96 (s, 36H, C6(CH3)6), -14.08 (d, 2 J(H,P) = 35 Hz, 1H, hydride). 13C{1H} NMR (100?MHz, [D6] acetone, 25°C): 157.92 (C—Ar), 138.53 (C—Ar), 138.21 (C—Ar), 134.96 (C—Ar), 129.98 (P—Ph), 129.77 (P—Ph), 129.21 (P—Ph), 129.05 (P—Ph), 128.55 (P—Ph), 128.43 (P—Ph), 128.25 (P—Ph), 128.16 (P—Ph), 100.35 (C6(CH3)6), 16.43 (C6(CH3)6. 31P{1H} NMR (160 MHz, [D6] acetone, 25°C): 99.75 (d, 2 J(H,P) = 35?Hz) MS (ESI): m/z: 839 [M+2H]+

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C10.0380 (3)0.2792 (2)0.03127 (14)0.0256 (8)
C20.0776 (3)0.3087 (2)0.02101 (14)0.0305 (8)
H2A0.11370.34880.04680.037*
C30.1417 (4)0.2805 (2)0.02647 (16)0.0397 (9)
H3A0.22060.30130.03290.048*
C40.0893 (4)0.2216 (2)0.06448 (16)0.0418 (10)
H4A0.13150.20330.09740.050*
C50.0246 (4)0.1901 (2)0.05380 (15)0.0385 (9)
H5A0.06020.14920.07920.046*
C60.0865 (3)0.2180 (2)0.00644 (15)0.0333 (9)
H6A0.16410.19500.00070.040*
C70.0423 (3)0.4070 (2)0.11956 (14)0.0246 (8)
C80.0127 (3)0.4053 (2)0.17199 (14)0.0294 (8)
H8A0.00320.35500.19580.035*
C90.0823 (3)0.4768 (2)0.19040 (16)0.0367 (9)
H9A0.12020.47460.22620.044*
C100.0954 (3)0.5504 (2)0.15641 (16)0.0373 (9)
H10A0.14380.59850.16850.045*
C110.0378 (3)0.5545 (2)0.10438 (16)0.0338 (9)
H11A0.04480.60610.08150.041*
C120.0294 (3)0.4834 (2)0.08612 (15)0.0300 (8)
H12A0.06750.48630.05040.036*
C130.2461 (3)0.0646 (2)0.18680 (17)0.0366 (10)
C140.1729 (4)0.0606 (2)0.13630 (17)0.0389 (10)
C150.0542 (4)0.0944 (2)0.13722 (18)0.0403 (10)
C160.0146 (3)0.1445 (2)0.18532 (18)0.0385 (10)
C170.0914 (3)0.1580 (2)0.23270 (17)0.0367 (10)
C180.2058 (3)0.1115 (2)0.23391 (17)0.0381 (10)
C190.3613 (4)0.0123 (3)0.1891 (2)0.0555 (12)
H19A0.40190.01680.15250.067*
H19B0.34360.05010.19710.067*
H19C0.41290.03630.21900.067*
C200.2203 (4)0.0133 (3)0.08435 (19)0.0604 (13)
H20A0.20420.05040.08750.072*
H20B0.30660.02300.08160.072*
H20C0.18090.03690.05040.072*
C210.0323 (4)0.0771 (3)0.0892 (2)0.0595 (13)
H21A0.09200.03360.10120.071*
H21B0.01120.05380.05650.071*
H21C0.07210.13260.07860.071*
C220.1121 (3)0.1799 (3)0.1844 (2)0.0562 (12)
H22A0.16830.13030.18190.067*
H22B0.12280.21890.15150.067*
H22C0.12690.21360.21910.067*
C230.0542 (4)0.2123 (3)0.28293 (17)0.0560 (12)
H23A0.03240.17280.31410.067*
H23B0.01470.24910.27260.067*
H23C0.12040.25060.29480.067*
C240.2814 (4)0.1149 (3)0.28710 (17)0.0525 (12)
H24A0.36400.12890.27710.063*
H24B0.27880.05710.30610.063*
H24C0.25050.16070.31250.063*
C250.3701 (3)0.4179 (2)0.02331 (16)0.0344 (9)
C260.4397 (3)0.4360 (2)0.07280 (16)0.0364 (10)
C270.5276 (3)0.3714 (2)0.09191 (14)0.0321 (9)
C280.5292 (3)0.2872 (2)0.06679 (15)0.0296 (8)
C290.4504 (3)0.2675 (2)0.02010 (15)0.0317 (9)
C300.3806 (3)0.3340 (2)0.00415 (14)0.0317 (9)
C310.2904 (4)0.4889 (3)0.0021 (2)0.0645 (15)
H31A0.33530.52270.03030.077*
H31B0.26340.52900.02790.077*
H31C0.22120.46100.02020.077*
C320.4277 (5)0.5246 (3)0.1026 (2)0.0692 (16)
H32A0.34390.54320.10190.083*
H32B0.47640.56900.08310.083*
H32C0.45480.51880.14190.083*
C330.6159 (4)0.3959 (3)0.13750 (17)0.0585 (13)
H33A0.57740.39190.17460.070*
H33B0.64390.45670.13130.070*
H33C0.68390.35510.13630.070*
C340.6183 (4)0.2177 (3)0.08633 (18)0.0512 (12)
H34A0.65300.23570.12270.061*
H34B0.68180.21200.05820.061*
H34C0.57770.16060.09070.061*
C350.4564 (4)0.1756 (3)0.0058 (2)0.0587 (13)
H35A0.47700.13230.02360.070*
H35B0.51740.17470.03540.070*
H35C0.37870.16050.02240.070*
C360.3183 (4)0.3181 (3)0.06114 (15)0.0568 (12)
H36A0.23160.31820.05580.068*
H36B0.34320.26060.07640.068*
H36C0.34010.36530.08770.068*
C370.4151 (3)0.3095 (2)0.22549 (13)0.0248 (7)
C380.4571 (3)0.3711 (2)0.26483 (14)0.0315 (9)
H38A0.41200.42320.27230.038*
C390.5643 (4)0.3571 (2)0.29323 (15)0.0361 (9)
H39A0.59270.39980.31960.043*
C400.6297 (3)0.2808 (2)0.28301 (14)0.0321 (9)
C410.5884 (3)0.2191 (2)0.24393 (14)0.0258 (8)
H41A0.63300.16680.23690.031*
C420.4827 (3)0.2338 (2)0.21539 (14)0.0261 (8)
H42A0.45560.19160.18840.031*
B10.6456 (4)0.0424 (3)0.1282 (2)0.0408 (12)
F10.5695 (2)0.00741 (15)0.08863 (10)0.0636 (7)
F20.5903 (3)0.11263 (15)0.15546 (12)0.0736 (8)
F30.7463 (2)0.07786 (18)0.10303 (12)0.0739 (8)
F40.6779 (2)0.02026 (16)0.16774 (10)0.0656 (7)
O10.7357 (2)0.26152 (17)0.30944 (12)0.0462 (7)
H1O0.75940.30620.32750.055*
P10.12622 (8)0.31191 (5)0.09308 (3)0.02324 (19)
Ru10.18592 (3)0.203829 (17)0.155573 (12)0.02527 (8)
H1H0.295 (3)0.203 (2)0.1042 (13)0.037 (9)*
Ru20.33187 (2)0.318080 (17)0.089117 (11)0.02135 (7)
S10.28288 (8)0.33509 (5)0.18616 (3)0.0246 (2)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.022 (2)0.0237 (17)0.0311 (19)0.0034 (15)0.0001 (16)0.0047 (14)
C20.027 (2)0.0274 (19)0.037 (2)0.0083 (16)0.0015 (17)0.0007 (16)
C30.036 (2)0.035 (2)0.049 (2)0.0023 (18)0.012 (2)0.0039 (18)
C40.047 (3)0.037 (2)0.040 (2)0.014 (2)0.013 (2)0.0019 (18)
C50.043 (3)0.035 (2)0.037 (2)0.0056 (19)0.0027 (19)0.0078 (18)
C60.030 (2)0.0303 (19)0.040 (2)0.0022 (16)0.0021 (18)0.0001 (16)
C70.0188 (19)0.0246 (17)0.0303 (19)0.0009 (15)0.0029 (15)0.0010 (15)
C80.025 (2)0.033 (2)0.030 (2)0.0015 (16)0.0027 (16)0.0007 (16)
C90.032 (2)0.046 (2)0.032 (2)0.0062 (18)0.0019 (18)0.0074 (18)
C100.030 (2)0.034 (2)0.047 (2)0.0079 (17)0.0148 (19)0.0164 (18)
C110.029 (2)0.0244 (19)0.048 (2)0.0021 (16)0.0110 (19)0.0012 (17)
C120.025 (2)0.0300 (19)0.035 (2)0.0019 (16)0.0010 (17)0.0031 (16)
C130.029 (2)0.0259 (19)0.055 (3)0.0015 (17)0.004 (2)0.0183 (18)
C140.038 (3)0.0194 (18)0.059 (3)0.0073 (17)0.005 (2)0.0089 (17)
C150.031 (2)0.028 (2)0.062 (3)0.0108 (18)0.005 (2)0.0159 (19)
C160.024 (2)0.029 (2)0.062 (3)0.0065 (17)0.005 (2)0.0200 (19)
C170.026 (2)0.036 (2)0.048 (2)0.0013 (17)0.0096 (19)0.0220 (18)
C180.030 (2)0.036 (2)0.049 (2)0.0038 (17)0.0032 (19)0.0269 (18)
C190.036 (3)0.041 (2)0.089 (3)0.013 (2)0.009 (2)0.016 (2)
C200.070 (4)0.032 (2)0.079 (3)0.007 (2)0.007 (3)0.009 (2)
C210.047 (3)0.048 (3)0.084 (4)0.022 (2)0.013 (3)0.012 (2)
C220.018 (2)0.058 (3)0.093 (3)0.002 (2)0.001 (2)0.021 (3)
C230.049 (3)0.067 (3)0.052 (3)0.011 (2)0.016 (2)0.019 (2)
C240.038 (3)0.069 (3)0.050 (3)0.000 (2)0.002 (2)0.031 (2)
C250.026 (2)0.036 (2)0.042 (2)0.0025 (17)0.0114 (18)0.0222 (18)
C260.041 (3)0.0249 (19)0.044 (2)0.0135 (17)0.023 (2)0.0045 (17)
C270.023 (2)0.047 (2)0.0259 (19)0.0161 (17)0.0001 (16)0.0057 (17)
C280.0176 (19)0.036 (2)0.035 (2)0.0037 (16)0.0076 (16)0.0139 (17)
C290.030 (2)0.033 (2)0.033 (2)0.0022 (16)0.0074 (18)0.0030 (16)
C300.024 (2)0.047 (2)0.0240 (18)0.0027 (17)0.0031 (16)0.0050 (16)
C310.041 (3)0.068 (3)0.085 (3)0.012 (2)0.025 (3)0.049 (3)
C320.088 (4)0.037 (2)0.083 (4)0.021 (2)0.045 (3)0.020 (2)
C330.048 (3)0.083 (3)0.044 (3)0.035 (3)0.011 (2)0.002 (2)
C340.034 (3)0.064 (3)0.056 (3)0.015 (2)0.006 (2)0.018 (2)
C350.053 (3)0.051 (3)0.073 (3)0.004 (2)0.015 (3)0.019 (2)
C360.044 (3)0.098 (4)0.029 (2)0.016 (3)0.0035 (19)0.006 (2)
C370.0240 (19)0.0282 (18)0.0221 (16)0.0014 (15)0.0004 (14)0.0040 (15)
C380.041 (2)0.0279 (19)0.0256 (19)0.0039 (17)0.0045 (18)0.0023 (15)
C390.045 (3)0.037 (2)0.026 (2)0.0033 (19)0.0130 (18)0.0045 (16)
C400.033 (2)0.035 (2)0.0280 (19)0.0065 (17)0.0067 (17)0.0062 (16)
C410.022 (2)0.0268 (18)0.0286 (19)0.0002 (15)0.0057 (16)0.0042 (15)
C420.028 (2)0.0263 (18)0.0239 (18)0.0053 (15)0.0021 (16)0.0008 (14)
B10.036 (3)0.034 (2)0.052 (3)0.001 (2)0.006 (2)0.007 (2)
F10.076 (2)0.0558 (15)0.0591 (16)0.0231 (14)0.0177 (14)0.0001 (12)
F20.083 (2)0.0435 (14)0.095 (2)0.0134 (14)0.0031 (17)0.0176 (14)
F30.0329 (15)0.091 (2)0.098 (2)0.0069 (14)0.0003 (15)0.0368 (17)
F40.076 (2)0.0622 (15)0.0582 (16)0.0183 (14)0.0017 (15)0.0223 (13)
O10.0445 (18)0.0421 (15)0.0517 (18)0.0035 (14)0.0300 (15)0.0010 (13)
P10.0198 (5)0.0230 (4)0.0269 (4)0.0006 (4)0.0005 (4)0.0034 (4)
Ru10.01904 (16)0.02358 (14)0.03321 (16)0.00052 (12)0.00063 (12)0.00775 (12)
Ru20.01910 (16)0.02196 (14)0.02300 (14)0.00050 (12)0.00025 (11)0.00278 (12)
S10.0237 (5)0.0257 (4)0.0244 (4)0.0011 (4)0.0011 (4)0.0025 (3)
Geometric parameters (Å, º) top
C1—C21.391 (5)C25—C301.426 (5)
C1—C61.395 (5)C25—C261.429 (5)
C1—P11.827 (4)C25—C311.515 (5)
C2—C31.395 (5)C25—Ru22.207 (3)
C2—H2A0.9500C26—C271.455 (5)
C3—C41.394 (5)C26—C321.516 (5)
C3—H3A0.9500C26—Ru22.185 (3)
C4—C51.384 (5)C27—C281.401 (5)
C4—H4A0.9500C27—C331.505 (5)
C5—C61.379 (5)C27—Ru22.337 (3)
C5—H5A0.9500C28—C291.440 (5)
C6—H6A0.9500C28—C341.518 (5)
C7—C81.387 (4)C28—Ru22.323 (3)
C7—C121.404 (4)C29—C301.394 (5)
C7—P11.827 (3)C29—C351.515 (5)
C8—C91.401 (5)C29—Ru22.243 (3)
C8—H8A0.9500C30—C361.532 (5)
C9—C101.377 (5)C30—Ru22.286 (3)
C9—H9A0.9500C31—H31A0.9800
C10—C111.393 (5)C31—H31B0.9800
C10—H10A0.9500C31—H31C0.9800
C11—C121.380 (5)C32—H32A0.9800
C11—H11A0.9500C32—H32B0.9800
C12—H12A0.9500C32—H32C0.9800
C13—C181.396 (5)C33—H33A0.9800
C13—C141.445 (6)C33—H33B0.9800
C13—C191.514 (5)C33—H33C0.9800
C13—Ru12.323 (3)C34—H34A0.9800
C14—C151.425 (5)C34—H34B0.9800
C14—C201.517 (5)C34—H34C0.9800
C14—Ru12.212 (3)C35—H35A0.9800
C15—C161.437 (5)C35—H35B0.9800
C15—C211.511 (6)C35—H35C0.9800
C15—Ru12.255 (4)C36—H36A0.9800
C16—C171.422 (6)C36—H36B0.9800
C16—C221.517 (5)C36—H36C0.9800
C16—Ru12.235 (3)C37—C421.391 (4)
C17—C181.461 (5)C37—C381.394 (5)
C17—C231.503 (5)C37—S11.787 (3)
C17—Ru12.223 (3)C38—C391.389 (5)
C18—C241.513 (5)C38—H38A0.9500
C18—Ru12.325 (3)C39—C401.386 (5)
C19—H19A0.9800C39—H39A0.9500
C19—H19B0.9800C40—O11.370 (4)
C19—H19C0.9800C40—C411.387 (5)
C20—H20A0.9800C41—C421.378 (5)
C20—H20B0.9800C41—H41A0.9500
C20—H20C0.9800C42—H42A0.9500
C21—H21A0.9800B1—F11.369 (5)
C21—H21B0.9800B1—F41.375 (5)
C21—H21C0.9800B1—F31.386 (5)
C22—H22A0.9800B1—F21.386 (5)
C22—H22B0.9800O1—H1O0.8400
C22—H22C0.9800P1—Ru12.2957 (9)
C23—H23A0.9800P1—Ru22.3092 (9)
C23—H23B0.9800Ru1—S12.3685 (9)
C23—H23C0.9800Ru1—Ru22.8522 (4)
C24—H24A0.9800Ru1—H1H1.72 (3)
C24—H24B0.9800Ru2—S12.3740 (8)
C24—H24C0.9800Ru2—H1H1.83 (3)
C2—C1—C6117.8 (3)H32A—C32—H32B109.5
C2—C1—P1123.5 (3)C26—C32—H32C109.5
C6—C1—P1118.6 (3)H32A—C32—H32C109.5
C1—C2—C3121.2 (3)H32B—C32—H32C109.5
C1—C2—H2A119.4C27—C33—H33A109.5
C3—C2—H2A119.4C27—C33—H33B109.5
C4—C3—C2119.7 (4)H33A—C33—H33B109.5
C4—C3—H3A120.2C27—C33—H33C109.5
C2—C3—H3A120.2H33A—C33—H33C109.5
C5—C4—C3119.5 (4)H33B—C33—H33C109.5
C5—C4—H4A120.3C28—C34—H34A109.5
C3—C4—H4A120.3C28—C34—H34B109.5
C6—C5—C4120.2 (4)H34A—C34—H34B109.5
C6—C5—H5A119.9C28—C34—H34C109.5
C4—C5—H5A119.9H34A—C34—H34C109.5
C5—C6—C1121.6 (4)H34B—C34—H34C109.5
C5—C6—H6A119.2C29—C35—H35A109.5
C1—C6—H6A119.2C29—C35—H35B109.5
C8—C7—C12118.2 (3)H35A—C35—H35B109.5
C8—C7—P1121.6 (2)C29—C35—H35C109.5
C12—C7—P1120.2 (2)H35A—C35—H35C109.5
C7—C8—C9121.0 (3)H35B—C35—H35C109.5
C7—C8—H8A119.5C30—C36—H36A109.5
C9—C8—H8A119.5C30—C36—H36B109.5
C10—C9—C8119.8 (3)H36A—C36—H36B109.5
C10—C9—H9A120.1C30—C36—H36C109.5
C8—C9—H9A120.1H36A—C36—H36C109.5
C9—C10—C11120.1 (3)H36B—C36—H36C109.5
C9—C10—H10A119.9C42—C37—C38118.6 (3)
C11—C10—H10A119.9C42—C37—S1122.6 (3)
C12—C11—C10119.9 (3)C38—C37—S1118.6 (3)
C12—C11—H11A120.1C39—C38—C37120.6 (3)
C10—C11—H11A120.1C39—C38—H38A119.7
C11—C12—C7121.1 (3)C37—C38—H38A119.7
C11—C12—H12A119.5C40—C39—C38119.9 (3)
C7—C12—H12A119.5C40—C39—H39A120.0
C18—C13—C14119.7 (3)C38—C39—H39A120.0
C18—C13—C19121.1 (4)O1—C40—C39123.7 (3)
C14—C13—C19119.1 (4)O1—C40—C41116.5 (3)
C18—C13—Ru172.6 (2)C39—C40—C41119.8 (3)
C14—C13—Ru167.28 (19)C42—C41—C40120.0 (3)
C19—C13—Ru1136.7 (3)C42—C41—H41A120.0
C15—C14—C13119.9 (4)C40—C41—H41A120.0
C15—C14—C20120.7 (4)C41—C42—C37121.0 (3)
C13—C14—C20119.2 (4)C41—C42—H42A119.5
C15—C14—Ru173.0 (2)C37—C42—H42A119.5
C13—C14—Ru175.7 (2)F1—B1—F4111.1 (3)
C20—C14—Ru1127.0 (2)F1—B1—F3111.2 (4)
C14—C15—C16119.5 (4)F4—B1—F3110.2 (4)
C14—C15—C21121.5 (4)F1—B1—F2109.5 (4)
C16—C15—C21119.0 (4)F4—B1—F2109.0 (4)
C14—C15—Ru169.8 (2)F3—B1—F2105.8 (3)
C16—C15—Ru170.6 (2)C40—O1—H1O109.5
C21—C15—Ru1133.4 (3)C7—P1—C1102.02 (16)
C17—C16—C15120.6 (3)C7—P1—Ru1119.04 (11)
C17—C16—C22121.5 (4)C1—P1—Ru1118.47 (10)
C15—C16—C22117.8 (4)C7—P1—Ru2119.89 (11)
C17—C16—Ru170.9 (2)C1—P1—Ru2120.95 (11)
C15—C16—Ru172.1 (2)Ru1—P1—Ru276.54 (3)
C22—C16—Ru1131.3 (2)C14—Ru1—C1780.45 (14)
C16—C17—C18118.3 (4)C14—Ru1—C1667.56 (14)
C16—C17—C23122.0 (3)C17—Ru1—C1637.22 (14)
C18—C17—C23119.6 (4)C14—Ru1—C1537.20 (14)
C16—C17—Ru171.8 (2)C17—Ru1—C1567.39 (15)
C18—C17—Ru175.10 (19)C16—Ru1—C1537.32 (14)
C23—C17—Ru1127.8 (3)C14—Ru1—P1122.82 (11)
C13—C18—C17121.0 (4)C17—Ru1—P1127.53 (10)
C13—C18—C24119.8 (4)C16—Ru1—P1103.80 (10)
C17—C18—C24119.2 (4)C15—Ru1—P1101.98 (10)
C13—C18—Ru172.4 (2)C14—Ru1—C1337.06 (14)
C17—C18—Ru167.51 (18)C17—Ru1—C1366.29 (13)
C24—C18—Ru1133.8 (3)C16—Ru1—C1377.71 (13)
C13—C19—H19A109.5C15—Ru1—C1365.71 (14)
C13—C19—H19B109.5P1—Ru1—C13158.17 (11)
H19A—C19—H19B109.5C14—Ru1—C1865.50 (14)
C13—C19—H19C109.5C17—Ru1—C1837.39 (13)
H19A—C19—H19C109.5C16—Ru1—C1865.72 (14)
H19B—C19—H19C109.5C15—Ru1—C1876.98 (14)
C14—C20—H20A109.5P1—Ru1—C18164.32 (10)
C14—C20—H20B109.5C13—Ru1—C1834.95 (13)
H20A—C20—H20B109.5C14—Ru1—S1155.24 (11)
C14—C20—H20C109.5C17—Ru1—S1103.28 (11)
H20A—C20—H20C109.5C16—Ru1—S1129.20 (11)
H20B—C20—H20C109.5C15—Ru1—S1165.69 (11)
C15—C21—H21A109.5P1—Ru1—S174.63 (3)
C15—C21—H21B109.5C13—Ru1—S1121.72 (11)
H21A—C21—H21B109.5C18—Ru1—S1102.44 (10)
C15—C21—H21C109.5C14—Ru1—Ru2120.90 (10)
H21A—C21—H21C109.5C17—Ru1—Ru2156.39 (11)
H21B—C21—H21C109.5C16—Ru1—Ru2155.65 (10)
C16—C22—H22A109.5C15—Ru1—Ru2135.49 (11)
C16—C22—H22B109.5P1—Ru1—Ru251.94 (2)
H22A—C22—H22B109.5C13—Ru1—Ru2123.62 (9)
C16—C22—H22C109.5C18—Ru1—Ru2138.32 (9)
H22A—C22—H22C109.5S1—Ru1—Ru253.12 (2)
H22B—C22—H22C109.5C14—Ru1—H1H83.7 (10)
C17—C23—H23A109.5C17—Ru1—H1H156.3 (11)
C17—C23—H23B109.5C16—Ru1—H1H145.9 (11)
H23A—C23—H23B109.5C15—Ru1—H1H108.7 (11)
C17—C23—H23C109.5P1—Ru1—H1H76.1 (11)
H23A—C23—H23C109.5C13—Ru1—H1H90.5 (11)
H23B—C23—H23C109.5C18—Ru1—H1H119.3 (11)
C18—C24—H24A109.5S1—Ru1—H1H84.2 (11)
C18—C24—H24B109.5Ru2—Ru1—H1H37.8 (10)
H24A—C24—H24B109.5C26—Ru2—C2537.96 (14)
C18—C24—H24C109.5C26—Ru2—C2979.50 (12)
H24A—C24—H24C109.5C25—Ru2—C2966.55 (13)
H24B—C24—H24C109.5C26—Ru2—C3066.98 (13)
C30—C25—C26119.6 (3)C25—Ru2—C3036.97 (13)
C30—C25—C31119.8 (4)C29—Ru2—C3035.84 (13)
C26—C25—C31120.5 (4)C26—Ru2—P1126.40 (11)
C30—C25—Ru274.50 (19)C25—Ru2—P1104.68 (10)
C26—C25—Ru270.16 (18)C29—Ru2—P1127.69 (10)
C31—C25—Ru2130.1 (2)C30—Ru2—P1106.70 (9)
C25—C26—C27119.5 (3)C26—Ru2—C2866.07 (13)
C25—C26—C32119.8 (4)C25—Ru2—C2877.77 (12)
C27—C26—C32120.5 (4)C29—Ru2—C2836.71 (13)
C25—C26—Ru271.88 (19)C30—Ru2—C2864.49 (13)
C27—C26—Ru277.02 (19)P1—Ru2—C28162.30 (10)
C32—C26—Ru2125.7 (2)C26—Ru2—C2737.34 (14)
C28—C27—C26119.0 (3)C25—Ru2—C2766.41 (13)
C28—C27—C33121.0 (4)C29—Ru2—C2765.01 (13)
C26—C27—C33120.0 (4)C30—Ru2—C2776.21 (12)
C28—C27—Ru272.0 (2)P1—Ru2—C27161.76 (10)
C26—C27—Ru265.63 (19)C28—Ru2—C2734.98 (12)
C33—C27—Ru2135.9 (2)C26—Ru2—S1102.34 (10)
C27—C28—C29120.2 (3)C25—Ru2—S1130.78 (10)
C27—C28—C34120.4 (3)C29—Ru2—S1151.61 (10)
C29—C28—C34119.3 (3)C30—Ru2—S1167.75 (9)
C27—C28—Ru273.0 (2)P1—Ru2—S174.28 (3)
C29—C28—Ru268.60 (19)C28—Ru2—S1117.79 (9)
C34—C28—Ru2134.0 (2)C27—Ru2—S199.07 (9)
C30—C29—C28120.4 (3)C26—Ru2—Ru1155.21 (9)
C30—C29—C35121.2 (4)C25—Ru2—Ru1155.98 (10)
C28—C29—C35118.0 (3)C29—Ru2—Ru1122.59 (9)
C30—C29—Ru273.75 (19)C30—Ru2—Ru1137.31 (9)
C28—C29—Ru274.69 (19)P1—Ru2—Ru151.52 (2)
C35—C29—Ru2129.2 (2)C28—Ru2—Ru1123.61 (8)
C29—C30—C25119.9 (3)C27—Ru2—Ru1137.16 (9)
C29—C30—C36120.0 (3)S1—Ru2—Ru152.94 (2)
C25—C30—C36120.0 (4)C26—Ru2—H1H159.6 (10)
C29—C30—Ru270.41 (19)C25—Ru2—H1H146.4 (10)
C25—C30—Ru268.53 (18)C29—Ru2—H1H87.4 (10)
C36—C30—Ru2136.1 (3)C30—Ru2—H1H110.1 (10)
C25—C31—H31A109.5P1—Ru2—H1H74.0 (10)
C25—C31—H31B109.5C28—Ru2—H1H94.2 (10)
H31A—C31—H31B109.5C27—Ru2—H1H122.6 (11)
C25—C31—H31C109.5S1—Ru2—H1H82.0 (10)
H31A—C31—H31C109.5Ru1—Ru2—H1H35.3 (10)
H31B—C31—H31C109.5C37—S1—Ru1110.87 (11)
C26—C32—H32A109.5C37—S1—Ru2106.45 (10)
C26—C32—H32B109.5Ru1—S1—Ru273.94 (3)
C6—C1—C2—C32.2 (5)C13—C18—Ru1—C17135.7 (3)
P1—C1—C2—C3179.0 (3)C24—C18—Ru1—C17109.6 (5)
C1—C2—C3—C40.0 (5)C13—C18—Ru1—C16103.8 (3)
C2—C3—C4—C51.6 (5)C17—C18—Ru1—C1632.0 (2)
C3—C4—C5—C61.1 (5)C24—C18—Ru1—C16141.5 (4)
C4—C5—C6—C11.1 (5)C13—C18—Ru1—C1566.0 (2)
C2—C1—C6—C52.7 (5)C17—C18—Ru1—C1569.7 (2)
P1—C1—C6—C5179.7 (3)C24—C18—Ru1—C15179.3 (4)
C12—C7—C8—C91.9 (5)C13—C18—Ru1—P1154.0 (3)
P1—C7—C8—C9176.5 (3)C17—C18—Ru1—P118.3 (5)
C7—C8—C9—C100.7 (5)C24—C18—Ru1—P191.3 (5)
C8—C9—C10—C111.3 (5)C17—C18—Ru1—C13135.7 (3)
C9—C10—C11—C122.1 (5)C24—C18—Ru1—C13114.7 (5)
C10—C11—C12—C70.9 (5)C13—C18—Ru1—S1128.6 (2)
C8—C7—C12—C111.1 (5)C17—C18—Ru1—S195.7 (2)
P1—C7—C12—C11177.3 (3)C24—C18—Ru1—S113.9 (4)
C18—C13—C14—C158.1 (5)C13—C18—Ru1—Ru281.2 (3)
C19—C13—C14—C15167.5 (3)C17—C18—Ru1—Ru2143.10 (19)
Ru1—C13—C14—C1560.4 (3)C24—C18—Ru1—Ru233.5 (5)
C18—C13—C14—C20177.0 (3)C27—C26—Ru2—C25127.4 (3)
C19—C13—C14—C207.4 (5)C32—C26—Ru2—C25114.2 (5)
Ru1—C13—C14—C20124.7 (3)C25—C26—Ru2—C2965.1 (2)
C18—C13—C14—Ru152.3 (3)C27—C26—Ru2—C2962.3 (2)
C19—C13—C14—Ru1132.1 (3)C32—C26—Ru2—C29179.3 (4)
C13—C14—C15—C169.7 (5)C25—C26—Ru2—C3029.9 (2)
C20—C14—C15—C16175.4 (3)C27—C26—Ru2—C3097.5 (2)
Ru1—C14—C15—C1652.0 (3)C32—C26—Ru2—C30144.1 (4)
C13—C14—C15—C21169.0 (3)C25—C26—Ru2—P164.3 (2)
C20—C14—C15—C215.9 (5)C27—C26—Ru2—P1168.25 (15)
Ru1—C14—C15—C21129.3 (3)C32—C26—Ru2—P149.8 (4)
C13—C14—C15—Ru161.7 (3)C25—C26—Ru2—C28101.1 (2)
C20—C14—C15—Ru1123.4 (3)C27—C26—Ru2—C2826.34 (19)
C14—C15—C16—C172.2 (5)C32—C26—Ru2—C28144.8 (4)
C21—C15—C16—C17176.6 (3)C25—C26—Ru2—C27127.4 (3)
Ru1—C15—C16—C1753.8 (3)C32—C26—Ru2—C27118.4 (5)
C14—C15—C16—C22179.5 (3)C25—C26—Ru2—S1143.78 (18)
C21—C15—C16—C221.8 (5)C27—C26—Ru2—S188.82 (19)
Ru1—C15—C16—C22127.8 (3)C32—C26—Ru2—S129.6 (4)
C14—C15—C16—Ru151.6 (3)C25—C26—Ru2—Ru1140.0 (2)
C21—C15—C16—Ru1129.6 (3)C27—C26—Ru2—Ru192.6 (3)
C15—C16—C17—C186.7 (5)C32—C26—Ru2—Ru125.8 (6)
C22—C16—C17—C18171.5 (3)C30—C25—Ru2—C26130.2 (3)
Ru1—C16—C17—C1861.1 (3)C31—C25—Ru2—C26113.7 (5)
C15—C16—C17—C23178.1 (3)C30—C25—Ru2—C2926.7 (2)
C22—C16—C17—C233.6 (5)C26—C25—Ru2—C29103.5 (2)
Ru1—C16—C17—C23123.8 (3)C31—C25—Ru2—C29142.9 (5)
C15—C16—C17—Ru154.3 (3)C26—C25—Ru2—C30130.2 (3)
C22—C16—C17—Ru1127.4 (3)C31—C25—Ru2—C30116.1 (5)
C14—C13—C18—C171.1 (5)C30—C25—Ru2—P198.4 (2)
C19—C13—C18—C17176.6 (3)C26—C25—Ru2—P1131.40 (19)
Ru1—C13—C18—C1748.8 (3)C31—C25—Ru2—P117.7 (4)
C14—C13—C18—C24179.2 (3)C30—C25—Ru2—C2863.6 (2)
C19—C13—C18—C243.7 (5)C26—C25—Ru2—C2866.6 (2)
Ru1—C13—C18—C24130.9 (3)C31—C25—Ru2—C28179.7 (4)
C14—C13—C18—Ru149.9 (3)C30—C25—Ru2—C2798.5 (2)
C19—C13—C18—Ru1134.6 (3)C26—C25—Ru2—C2731.7 (2)
C16—C17—C18—C138.4 (5)C31—C25—Ru2—C27145.4 (4)
C23—C17—C18—C13176.3 (3)C30—C25—Ru2—S1179.90 (16)
Ru1—C17—C18—C1351.0 (3)C26—C25—Ru2—S149.7 (2)
C16—C17—C18—C24171.8 (3)C31—C25—Ru2—S164.0 (5)
C23—C17—C18—C243.4 (5)C30—C25—Ru2—Ru191.2 (3)
Ru1—C17—C18—C24128.8 (3)C26—C25—Ru2—Ru1138.6 (2)
C16—C17—C18—Ru159.4 (3)C31—C25—Ru2—Ru124.9 (6)
C23—C17—C18—Ru1125.4 (3)C30—C29—Ru2—C2665.0 (2)
C30—C25—C26—C275.0 (5)C28—C29—Ru2—C2663.8 (2)
C31—C25—C26—C27171.6 (3)C35—C29—Ru2—C26177.7 (4)
Ru2—C25—C26—C2762.8 (3)C30—C29—Ru2—C2527.5 (2)
C30—C25—C26—C32179.2 (3)C28—C29—Ru2—C25101.3 (2)
C31—C25—C26—C324.2 (5)C35—C29—Ru2—C25144.8 (4)
Ru2—C25—C26—C32121.4 (3)C28—C29—Ru2—C30128.8 (3)
C30—C25—C26—Ru257.8 (3)C35—C29—Ru2—C30117.3 (5)
C31—C25—C26—Ru2125.6 (3)C30—C29—Ru2—P163.3 (2)
C25—C26—C27—C289.9 (5)C28—C29—Ru2—P1167.92 (15)
C32—C26—C27—C28174.3 (3)C35—C29—Ru2—P154.0 (4)
Ru2—C26—C27—C2850.3 (3)C30—C29—Ru2—C28128.8 (3)
C25—C26—C27—C33169.4 (3)C35—C29—Ru2—C28113.9 (4)
C32—C26—C27—C336.4 (5)C30—C29—Ru2—C27101.3 (2)
Ru2—C26—C27—C33130.5 (3)C28—C29—Ru2—C2727.48 (18)
C25—C26—C27—Ru260.2 (3)C35—C29—Ru2—C27141.4 (4)
C32—C26—C27—Ru2124.1 (3)C30—C29—Ru2—S1161.54 (17)
C26—C27—C28—C294.3 (5)C28—C29—Ru2—S132.8 (3)
C33—C27—C28—C29174.9 (3)C35—C29—Ru2—S181.2 (4)
Ru2—C27—C28—C2951.8 (3)C30—C29—Ru2—Ru1127.22 (18)
C26—C27—C28—C34179.0 (3)C28—C29—Ru2—Ru1103.99 (18)
C33—C27—C28—C341.7 (5)C35—C29—Ru2—Ru19.9 (4)
Ru2—C27—C28—C34131.5 (3)C29—C30—Ru2—C26104.5 (2)
C26—C27—C28—Ru247.4 (3)C25—C30—Ru2—C2630.7 (2)
C33—C27—C28—Ru2133.3 (3)C36—C30—Ru2—C26142.2 (4)
C27—C28—C29—C306.4 (5)C29—C30—Ru2—C25135.2 (3)
C34—C28—C29—C30170.3 (3)C36—C30—Ru2—C25111.5 (5)
Ru2—C28—C29—C3060.2 (3)C25—C30—Ru2—C29135.2 (3)
C27—C28—C29—C35179.5 (3)C36—C30—Ru2—C29113.3 (5)
C34—C28—C29—C352.8 (5)C29—C30—Ru2—P1132.44 (19)
Ru2—C28—C29—C35126.6 (3)C25—C30—Ru2—P192.4 (2)
C27—C28—C29—Ru253.8 (3)C36—C30—Ru2—P119.1 (4)
C34—C28—C29—Ru2129.5 (3)C29—C30—Ru2—C2831.1 (2)
C28—C29—C30—C2511.5 (5)C25—C30—Ru2—C28104.1 (2)
C35—C29—C30—C25175.6 (3)C36—C30—Ru2—C28144.4 (4)
Ru2—C29—C30—C2549.2 (3)C29—C30—Ru2—C2766.2 (2)
C28—C29—C30—C36166.7 (3)C25—C30—Ru2—C2768.9 (2)
C35—C29—C30—C366.2 (5)C36—C30—Ru2—C27179.6 (4)
Ru2—C29—C30—C36132.6 (3)C29—C30—Ru2—S1134.8 (4)
C28—C29—C30—Ru260.7 (3)C25—C30—Ru2—S10.4 (6)
C35—C29—C30—Ru2126.4 (3)C36—C30—Ru2—S1111.9 (5)
C26—C25—C30—C295.7 (5)C29—C30—Ru2—Ru181.7 (2)
C31—C25—C30—C29177.7 (3)C25—C30—Ru2—Ru1143.11 (18)
Ru2—C25—C30—C2950.0 (3)C36—C30—Ru2—Ru131.6 (5)
C26—C25—C30—C36172.5 (3)C7—P1—Ru2—C2632.76 (18)
C31—C25—C30—C364.1 (5)C1—P1—Ru2—C2695.92 (17)
Ru2—C25—C30—C36131.8 (3)Ru1—P1—Ru2—C26148.74 (12)
C26—C25—C30—Ru255.7 (3)C7—P1—Ru2—C2567.73 (17)
C31—C25—C30—Ru2127.7 (3)C1—P1—Ru2—C2560.94 (16)
C42—C37—C38—C390.1 (5)Ru1—P1—Ru2—C25176.29 (11)
S1—C37—C38—C39175.1 (3)C7—P1—Ru2—C29139.22 (17)
C37—C38—C39—C400.8 (5)C1—P1—Ru2—C2910.55 (17)
C38—C39—C40—O1179.6 (3)Ru1—P1—Ru2—C29104.79 (11)
C38—C39—C40—C410.7 (5)C7—P1—Ru2—C30106.13 (16)
O1—C40—C41—C42179.7 (3)C1—P1—Ru2—C3022.54 (15)
C39—C40—C41—C420.0 (5)Ru1—P1—Ru2—C30137.89 (10)
C40—C41—C42—C370.7 (5)C7—P1—Ru2—C28163.5 (3)
C38—C37—C42—C410.7 (5)C1—P1—Ru2—C2834.8 (3)
S1—C37—C42—C41175.7 (2)Ru1—P1—Ru2—C2880.5 (3)
C8—C7—P1—C1115.5 (3)C7—P1—Ru2—C279.5 (3)
C12—C7—P1—C162.8 (3)C1—P1—Ru2—C27119.2 (3)
C8—C7—P1—Ru117.0 (3)Ru1—P1—Ru2—C27125.5 (3)
C12—C7—P1—Ru1164.7 (2)C7—P1—Ru2—S161.16 (13)
C8—C7—P1—Ru2107.7 (3)C1—P1—Ru2—S1170.17 (12)
C12—C7—P1—Ru274.0 (3)Ru1—P1—Ru2—S154.83 (3)
C2—C1—P1—C714.8 (3)C7—P1—Ru2—Ru1115.99 (13)
C6—C1—P1—C7168.3 (3)C1—P1—Ru2—Ru1115.34 (12)
C2—C1—P1—Ru1118.0 (3)C27—C28—Ru2—C2628.0 (2)
C6—C1—P1—Ru158.8 (3)C29—C28—Ru2—C26105.2 (2)
C2—C1—P1—Ru2151.0 (2)C34—C28—Ru2—C26144.2 (4)
C6—C1—P1—Ru232.1 (3)C27—C28—Ru2—C2566.1 (2)
C15—C14—Ru1—C1765.0 (2)C29—C28—Ru2—C2567.0 (2)
C13—C14—Ru1—C1763.0 (2)C34—C28—Ru2—C25177.7 (4)
C20—C14—Ru1—C17179.0 (4)C27—C28—Ru2—C29133.2 (3)
C15—C14—Ru1—C1628.5 (2)C34—C28—Ru2—C29110.6 (5)
C13—C14—Ru1—C1699.5 (2)C27—C28—Ru2—C30102.8 (2)
C20—C14—Ru1—C16144.6 (4)C29—C28—Ru2—C3030.38 (19)
C13—C14—Ru1—C15128.0 (3)C34—C28—Ru2—C30141.0 (4)
C20—C14—Ru1—C15116.1 (5)C27—C28—Ru2—P1166.2 (2)
C15—C14—Ru1—P163.8 (2)C29—C28—Ru2—P133.0 (4)
C13—C14—Ru1—P1168.20 (16)C34—C28—Ru2—P177.7 (5)
C20—C14—Ru1—P152.2 (4)C29—C28—Ru2—C27133.2 (3)
C15—C14—Ru1—C13128.0 (3)C34—C28—Ru2—C27116.2 (5)
C20—C14—Ru1—C13116.0 (5)C27—C28—Ru2—S163.7 (2)
C15—C14—Ru1—C18101.0 (2)C29—C28—Ru2—S1163.10 (16)
C13—C14—Ru1—C1826.98 (19)C34—C28—Ru2—S152.4 (4)
C20—C14—Ru1—C18142.9 (4)C27—C28—Ru2—Ru1125.86 (17)
C15—C14—Ru1—S1166.0 (2)C29—C28—Ru2—Ru1100.98 (18)
C13—C14—Ru1—S138.0 (4)C34—C28—Ru2—Ru19.7 (4)
C20—C14—Ru1—S177.9 (5)C28—C27—Ru2—C26135.0 (3)
C15—C14—Ru1—Ru2125.9 (2)C33—C27—Ru2—C26108.7 (5)
C13—C14—Ru1—Ru2106.16 (19)C28—C27—Ru2—C25102.8 (2)
C20—C14—Ru1—Ru29.8 (4)C26—C27—Ru2—C2532.2 (2)
C16—C17—Ru1—C1465.3 (2)C33—C27—Ru2—C25140.9 (5)
C18—C17—Ru1—C1461.8 (2)C28—C27—Ru2—C2928.75 (19)
C23—C17—Ru1—C14177.9 (4)C26—C27—Ru2—C29106.2 (2)
C18—C17—Ru1—C16127.1 (3)C33—C27—Ru2—C29145.1 (5)
C23—C17—Ru1—C16116.8 (4)C28—C27—Ru2—C3065.0 (2)
C16—C17—Ru1—C1528.9 (2)C26—C27—Ru2—C3070.0 (2)
C18—C17—Ru1—C1598.2 (2)C33—C27—Ru2—C30178.7 (5)
C23—C17—Ru1—C15145.7 (4)C28—C27—Ru2—P1166.6 (2)
C16—C17—Ru1—P159.1 (2)C26—C27—Ru2—P131.6 (4)
C18—C17—Ru1—P1173.86 (18)C33—C27—Ru2—P177.1 (5)
C23—C17—Ru1—P157.8 (4)C26—C27—Ru2—C28135.0 (3)
C16—C17—Ru1—C13101.2 (2)C33—C27—Ru2—C28116.3 (5)
C18—C17—Ru1—C1325.9 (2)C28—C27—Ru2—S1126.54 (18)
C23—C17—Ru1—C13142.0 (4)C26—C27—Ru2—S198.48 (19)
C16—C17—Ru1—C18127.1 (3)C33—C27—Ru2—S110.2 (4)
C23—C17—Ru1—C18116.1 (5)C28—C27—Ru2—Ru183.0 (2)
C16—C17—Ru1—S1139.73 (19)C26—C27—Ru2—Ru1141.98 (17)
C18—C17—Ru1—S193.2 (2)C33—C27—Ru2—Ru133.3 (5)
C23—C17—Ru1—S122.9 (4)C14—Ru1—Ru2—C26155.5 (3)
C16—C17—Ru1—Ru2138.5 (2)C17—Ru1—Ru2—C263.1 (4)
C18—C17—Ru1—Ru294.4 (3)C16—Ru1—Ru2—C26100.4 (4)
C23—C17—Ru1—Ru221.6 (5)C15—Ru1—Ru2—C26160.1 (3)
C17—C16—Ru1—C14104.3 (2)P1—Ru1—Ru2—C2695.0 (3)
C15—C16—Ru1—C1428.4 (2)C13—Ru1—Ru2—C26111.5 (3)
C22—C16—Ru1—C14140.1 (5)C18—Ru1—Ru2—C2668.7 (3)
C15—C16—Ru1—C17132.7 (3)S1—Ru1—Ru2—C264.6 (3)
C22—C16—Ru1—C17115.6 (5)C14—Ru1—Ru2—C25100.6 (3)
C17—C16—Ru1—C15132.7 (3)C17—Ru1—Ru2—C25106.9 (4)
C22—C16—Ru1—C15111.6 (5)C16—Ru1—Ru2—C253.5 (4)
C17—C16—Ru1—P1135.54 (19)C15—Ru1—Ru2—C2556.3 (3)
C15—C16—Ru1—P191.7 (2)P1—Ru1—Ru2—C258.9 (3)
C22—C16—Ru1—P119.9 (4)C13—Ru1—Ru2—C25144.7 (3)
C17—C16—Ru1—C1366.8 (2)C18—Ru1—Ru2—C25172.5 (3)
C15—C16—Ru1—C1365.9 (2)S1—Ru1—Ru2—C25108.4 (3)
C22—C16—Ru1—C13177.5 (4)C14—Ru1—Ru2—C295.27 (18)
C17—C16—Ru1—C1832.1 (2)C17—Ru1—Ru2—C29147.2 (3)
C15—C16—Ru1—C18100.6 (2)C16—Ru1—Ru2—C29109.4 (3)
C22—C16—Ru1—C18147.8 (5)C15—Ru1—Ru2—C2949.60 (19)
C17—C16—Ru1—S154.3 (2)P1—Ru1—Ru2—C29114.76 (12)
C15—C16—Ru1—S1173.01 (17)C13—Ru1—Ru2—C2938.78 (18)
C22—C16—Ru1—S161.4 (5)C18—Ru1—Ru2—C2981.6 (2)
C17—C16—Ru1—Ru2139.9 (2)S1—Ru1—Ru2—C29145.66 (12)
C15—C16—Ru1—Ru287.4 (3)C14—Ru1—Ru2—C3038.18 (19)
C22—C16—Ru1—Ru224.3 (6)C17—Ru1—Ru2—C30169.4 (3)
C16—C15—Ru1—C14133.3 (3)C16—Ru1—Ru2—C3065.9 (3)
C21—C15—Ru1—C14114.6 (5)C15—Ru1—Ru2—C306.2 (2)
C14—C15—Ru1—C17104.6 (3)P1—Ru1—Ru2—C3071.31 (14)
C16—C15—Ru1—C1728.8 (2)C13—Ru1—Ru2—C3082.22 (19)
C21—C15—Ru1—C17140.8 (4)C18—Ru1—Ru2—C30125.1 (2)
C14—C15—Ru1—C16133.3 (3)S1—Ru1—Ru2—C30170.90 (14)
C21—C15—Ru1—C16112.0 (5)C14—Ru1—Ru2—P1109.49 (13)
C14—C15—Ru1—P1129.6 (2)C17—Ru1—Ru2—P198.1 (2)
C16—C15—Ru1—P197.1 (2)C16—Ru1—Ru2—P15.4 (3)
C21—C15—Ru1—P114.9 (4)C15—Ru1—Ru2—P165.15 (15)
C14—C15—Ru1—C1331.4 (2)C13—Ru1—Ru2—P1153.53 (13)
C16—C15—Ru1—C13101.9 (2)C18—Ru1—Ru2—P1163.63 (16)
C21—C15—Ru1—C13146.1 (5)S1—Ru1—Ru2—P199.59 (4)
C14—C15—Ru1—C1866.5 (2)C14—Ru1—Ru2—C2849.41 (17)
C16—C15—Ru1—C1866.9 (2)C17—Ru1—Ru2—C28103.0 (3)
C21—C15—Ru1—C18178.9 (4)C16—Ru1—Ru2—C28153.5 (3)
C14—C15—Ru1—S1155.8 (3)C15—Ru1—Ru2—C2893.74 (18)
C16—C15—Ru1—S122.4 (5)P1—Ru1—Ru2—C28158.90 (12)
C21—C15—Ru1—S189.6 (6)C13—Ru1—Ru2—C285.36 (17)
C14—C15—Ru1—Ru282.6 (2)C18—Ru1—Ru2—C2837.47 (19)
C16—C15—Ru1—Ru2144.03 (18)S1—Ru1—Ru2—C28101.52 (12)
C21—C15—Ru1—Ru232.0 (5)C14—Ru1—Ru2—C2792.52 (19)
C7—P1—Ru1—C14137.31 (17)C17—Ru1—Ru2—C2759.9 (3)
C1—P1—Ru1—C1412.42 (17)C16—Ru1—Ru2—C27163.4 (3)
Ru2—P1—Ru1—C14105.74 (12)C15—Ru1—Ru2—C27136.9 (2)
C7—P1—Ru1—C1733.05 (19)P1—Ru1—Ru2—C27157.99 (14)
C1—P1—Ru1—C1791.85 (18)C13—Ru1—Ru2—C2748.47 (19)
Ru2—P1—Ru1—C17150.00 (14)C18—Ru1—Ru2—C275.6 (2)
C7—P1—Ru1—C1665.34 (17)S1—Ru1—Ru2—C2758.41 (14)
C1—P1—Ru1—C1659.56 (17)C14—Ru1—Ru2—S1150.92 (13)
Ru2—P1—Ru1—C16177.71 (11)C17—Ru1—Ru2—S11.5 (2)
C7—P1—Ru1—C15103.62 (16)C16—Ru1—Ru2—S1105.0 (3)
C1—P1—Ru1—C1521.28 (16)C15—Ru1—Ru2—S1164.74 (15)
Ru2—P1—Ru1—C15139.43 (11)P1—Ru1—Ru2—S199.59 (4)
C7—P1—Ru1—C13156.7 (3)C13—Ru1—Ru2—S1106.88 (13)
C1—P1—Ru1—C1331.8 (3)C18—Ru1—Ru2—S164.05 (16)
Ru2—P1—Ru1—C1386.4 (3)C42—C37—S1—Ru130.2 (3)
C7—P1—Ru1—C1819.1 (4)C38—C37—S1—Ru1154.8 (2)
C1—P1—Ru1—C18105.7 (4)C42—C37—S1—Ru248.4 (3)
Ru2—P1—Ru1—C18136.1 (4)C38—C37—S1—Ru2126.5 (2)
C7—P1—Ru1—S162.07 (13)C14—Ru1—S1—C3717.2 (3)
C1—P1—Ru1—S1173.04 (13)C17—Ru1—S1—C3778.76 (15)
Ru2—P1—Ru1—S154.88 (3)C16—Ru1—S1—C37109.06 (17)
C7—P1—Ru1—Ru2116.95 (13)C15—Ru1—S1—C37126.4 (4)
C1—P1—Ru1—Ru2118.15 (13)P1—Ru1—S1—C37155.50 (11)
C18—C13—Ru1—C14133.9 (3)C13—Ru1—S1—C378.63 (16)
C19—C13—Ru1—C14109.0 (5)C18—Ru1—S1—C3740.37 (14)
C18—C13—Ru1—C1727.6 (2)Ru2—Ru1—S1—C37101.87 (11)
C14—C13—Ru1—C17106.3 (2)C14—Ru1—S1—Ru284.6 (2)
C19—C13—Ru1—C17144.7 (5)C17—Ru1—S1—Ru2179.38 (10)
C18—C13—Ru1—C1665.0 (2)C16—Ru1—S1—Ru2149.08 (13)
C14—C13—Ru1—C1668.9 (2)C15—Ru1—S1—Ru2131.7 (4)
C19—C13—Ru1—C16177.9 (5)P1—Ru1—S1—Ru253.63 (3)
C18—C13—Ru1—C15102.4 (2)C13—Ru1—S1—Ru2110.49 (11)
C14—C13—Ru1—C1531.5 (2)C18—Ru1—S1—Ru2142.24 (10)
C19—C13—Ru1—C15140.5 (5)C26—Ru2—S1—C3774.43 (16)
C18—C13—Ru1—P1161.4 (2)C25—Ru2—S1—C37103.12 (17)
C14—C13—Ru1—P127.5 (4)C29—Ru2—S1—C3716.3 (2)
C19—C13—Ru1—P181.4 (5)C30—Ru2—S1—C37102.8 (5)
C14—C13—Ru1—C18133.9 (3)P1—Ru2—S1—C37160.86 (11)
C19—C13—Ru1—C18117.1 (6)C28—Ru2—S1—C375.16 (15)
C18—C13—Ru1—S163.8 (2)C27—Ru2—S1—C3736.54 (15)
C14—C13—Ru1—S1162.35 (18)Ru1—Ru2—S1—C37107.55 (11)
C19—C13—Ru1—S153.4 (5)C26—Ru2—S1—Ru1178.02 (11)
C18—C13—Ru1—Ru2127.89 (19)C25—Ru2—S1—Ru1149.33 (13)
C14—C13—Ru1—Ru298.2 (2)C29—Ru2—S1—Ru191.27 (19)
C19—C13—Ru1—Ru210.8 (5)C30—Ru2—S1—Ru1149.6 (5)
C13—C18—Ru1—C1428.5 (2)P1—Ru2—S1—Ru153.31 (3)
C17—C18—Ru1—C14107.2 (3)C28—Ru2—S1—Ru1112.71 (10)
C24—C18—Ru1—C14143.2 (4)C27—Ru2—S1—Ru1144.09 (10)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H1O···F2i0.842.122.841 (4)144
O1—H1O···F3i0.842.403.190 (4)157
Symmetry code: (i) x+3/2, y+1/2, z+1/2.
 

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