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The tri­chloro-bridged dinuclear RuII complex tri-μ-chloro-bis{[1,1,1-tris­(di­phenyl­phosphino­methyl)­ethane-κ3P,P′,P′′]ruthenium(II)} hexa­fluoro­phosphate ethanol solvate, [Ru2Cl3(tripod)2]PF6·C2H6O, containing the tripod [1,1,1-tris­(di­phenyl­phosphino­methyl)­ethane, C41H39P3] ligand, was unexpectedly obtained from the reaction of [RuIIICl3(tripod)] with 1,4-bis­(di­phenyl­phosphino)­butane (dppb), followed by pre­cipitation with NH4PF6. The magnetic moment of the compound at room temperature indicates that the dinuclear [Ru2(μ-Cl)3(tripod)2]+ cation is diamagnetic. A single-crystal X-ray structure determination revealed that the two Ru atoms are bridged by the three Cl atoms. The coordination sphere of each Ru atom is completed by the three P atoms of a tripod ligand. The two P3Ru units are exactly eclipsed, while the bridging Cl atoms are staggered with respect to the six P atoms. The Ru...Ru distance is 3.3997 (7) Å and the mean Cl—Ru—Cl bond angle is 77.7°.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270103020432/av1146sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270103020432/av1146Isup2.hkl
Contains datablock I

CCDC reference: 226095

Comment top

Complexes of rhodium and ruthenium with optically active ligands are widely used as catalysts for enantioselective hydrogenation reactions (Chen et al., 1999; Oketa et al., 1999). While looking for related complexes suitable as catalysts for oxidation processes, we noted that Ru complexes with aryl phosphine ligands are not well described in the literature (Barbaro et al., 1999). In comparison, there are extensive studies of the redox chemistry of oxo and nitrido Ru or Os complexes containing polypyridine, Schiff base or porphyrin ligands (Lebeau et al., 2001). Such complexes are supposed to act as oxidants in metal-catalyzed oxidation reactions.

Generally, six-coordinated RuIV oxo complexes are prepared starting from the related RuII chloro species via the corresponding RuII aquo complexes, which are finally oxidized (Navarro et al., 1998). In order to extend this synthesis to analogous Ru complexes with phosphine ligands, we attempted to prepare the chloro complex [Ru(tripod)(dppb)Cl][PF6] by reaction of [RuIII(tripod)Cl3] [tripod is 1,1,1-tris(diphenylphosphinomethyl)ethane; Ott et al., 1985] with dppb [1,4-bis(diphenylphosphino)butane] and subsequent precipitation with NH4PF6. However, instead of the expected mononuclear chloro complex, the dinuclear trichloro-bridged ethanol-solvated complex [Ru2(µ-Cl)3(tripod)2][PF6]·C2H6O, (I), was obtained in the form of yellow crystals. Obviously, dppb acts here only as a reducing agent providing two electrons, and does not coordinate to the Ru atom. The identity of the new complex is indicated by multinuclear NMR, IR and UV data and is confirmed by the results of a single-crystal X-ray structure determination, which are presented here. \sch

The crystal of (I) consists of discrete [Ru2(µ-Cl)3(tripod)2]+ cations and [PF6] anions and contains one molecule of ethanol in the molecular unit (Fig. 1). Each Ru atom is coordinated by the three bridging Cl atoms and by the three P atoms of the tripod ligand in a slightly distorted octahedral environment. In the dinuclear unit, two such octahedra share a common face, with the bridging Cl atoms occupying its edges. The two P3Ru fragments are exactly eclipsed, while the bridging Cl atoms are staggered with respect to the six P atoms (Fig. 2).

The bond distances and angles of the dinuclear cation in (I) compare well with those of the corresponding tetraphenyloborate salt reported by Rhodes et al. (1988), indicating only a small counterion effect. The Ru—P [2.246 (1)–2.272 (1) Å] and Ru—Cl distances [2.445 (1)–2.478 (1) Å] in the hexafluorophosphate, (I), are slightly shorter than those found for the tetraphenyloborate. The Ru—Cl—Ru bond angles of about 87° are larger than those calculated for an ideal cofacial bioctahedral geometry (75.0°). Accordingly, the Cl—Ru—Cl bond angles of about 78° are smaller than the ideal value of 90°. This results in an elongation of the bioctahedron along the Ru···Ru axis and thus in a longer Ru···Ru distance [3.3997 (7) Å] than would be expected for a regular face-sharing bioctahedron, excluding a bond interaction between the two Ru atoms. The P—Ru—P bond angles are between 86.35 (4) and 89.59 (4)°, comparable with those found for complexes with tridentate phosphine ligands (Pal & Pal, 2001) and smaller than those in related complexes with monodentate phosphine ligands (Higham et al., 1998; Laing & Pope, 1976; Rhodes et al., 1988).

As is generally found for tripod complexes, the bond lengths and angles of the tripod ligand in (I) deviate only slightly from those observed for the free ligand (Bianchini et al., 1982). The tetracoordinated P atoms display a distorted tetrahedral coordination, with Ru—P—Caryl 113.24 (12)–122.23 (15), Ru—P—Calkyl 112.28 (13)–115.10 (14), CalkylP—Caryl 100.16 (19)–105.64 (19) and CarylP—Caryl 97.34 (17)–99.33 (19)°. The bond lengths and angles in the hexafluorophosphate anion are as expected.

Experimental top

In a typical reaction, the dppb ligand (0.071 g, 0.17 mmol) in ethanol (30 ml) was slowly added to a solution of [Ru(tripod)Cl3] (0.125 g, 0.15 mmol) in acetontrile (150 ml). The mixture was refluxed for 3 h, during which time the initially deep-green solution gradually changed to yellow. After removal of the solvent, 5 drops of a saturated solution of NH4PF6 in ethanol were added to precipitate the products. The precipitate was filtered, washed with diethyl ether (2 × 10 ml) and dried under vacuum to give (I) as a yellow crystalline solid. Single crystals suitable for an X-ray structure determination were obtained by crystallization from acetone.

Refinement top

H atoms were treated as riding, with C—H distances in the range 0.93–0.97 Å and an O—H distance of 0.82 Å, and with Uiso(H) = 1.2Ueq(C) or 1.5Ueq(O). Please check this added text.

Computing details top

Data collection: IPDS (Stoe & Cie, 1997); cell refinement: IPDS; data reduction: IPDS; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 1996).

Figures top
[Figure 1] Fig. 1. A molecular view of complex (I), showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level and H atoms have been omitted for clarity.
[Figure 2] Fig. 2. A view of the dinuclear [Ru2(µ-Cl)3(tripod)2]+ cation of (I). For clarity, H atoms have been omitted and only the ipso C atoms of the phenyl rings are shown. Displacement ellipsoids are drawn at the 50% probability level.
Tri-µ-chloro-bis{[1,1,1-tris(diphenylphosphinomethyl)ethane- κ3P,P',P'']ruthenium(II)} hexafluorophosphate ethanol solvate top
Crystal data top
[Ru2Cl3(C41H39P3)2]PF6·C2H6OF(000) = 3576
Mr = 1748.79Dx = 1.512 Mg m3
Monoclinic, CcMelting point: 443 K
Hall symbol: C -2ycMo Kα radiation, λ = 0.71073 Å
a = 13.069 (3) ÅCell parameters from 5000 reflections
b = 25.602 (5) Åθ = 1.8–25.9°
c = 22.991 (5) ŵ = 0.71 mm1
β = 92.66 (3)°T = 293 K
V = 7684 (3) Å3Block, yellow
Z = 40.20 × 0.12 × 0.09 mm
Data collection top
Stoe IPDS area-detector
diffractometer
14149 independent reflections
Radiation source: sealed tube11740 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.039
ϕ scansθmax = 25.9°, θmin = 1.8°
Absorption correction: numerical
(X-RED; Stoe & Cie, 1997)
h = 1516
Tmin = 0.908, Tmax = 0.959k = 3131
26982 measured reflectionsl = 2826
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.033H-atom parameters constrained
wR(F2) = 0.057 w = 1/[σ2(Fo2) + (0.0176P)2]
where P = (Fo2 + 2Fc2)/3
S = 0.89(Δ/σ)max = 0.001
14149 reflectionsΔρmax = 0.39 e Å3
933 parametersΔρmin = 0.59 e Å3
3 restraintsAbsolute structure: Flack (1983), with 6746 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.725 (17)
Crystal data top
[Ru2Cl3(C41H39P3)2]PF6·C2H6OV = 7684 (3) Å3
Mr = 1748.79Z = 4
Monoclinic, CcMo Kα radiation
a = 13.069 (3) ŵ = 0.71 mm1
b = 25.602 (5) ÅT = 293 K
c = 22.991 (5) Å0.20 × 0.12 × 0.09 mm
β = 92.66 (3)°
Data collection top
Stoe IPDS area-detector
diffractometer
14149 independent reflections
Absorption correction: numerical
(X-RED; Stoe & Cie, 1997)
11740 reflections with I > 2σ(I)
Tmin = 0.908, Tmax = 0.959Rint = 0.039
26982 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.033H-atom parameters constrained
wR(F2) = 0.057Δρmax = 0.39 e Å3
S = 0.89Δρmin = 0.59 e Å3
14149 reflectionsAbsolute structure: Flack (1983), with 6746 Friedel pairs
933 parametersAbsolute structure parameter: 0.725 (17)
3 restraints
Special details top

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. H-atoms were generated with HFIX. Temperature factors U(H) = 1.2 U(C) for CH and CH2, 1.5 U(C,O) for CH3 and OH. The structure was refined as a racemic twin and yields a volume ratio of 0.725: 0.275.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ru10.90716 (2)0.101994 (11)0.299378 (14)0.01444 (7)
Ru20.83548 (2)0.204760 (11)0.213142 (13)0.01618 (7)
Cl10.97385 (9)0.13916 (4)0.20977 (5)0.0333 (3)
Cl20.74810 (8)0.12432 (4)0.24390 (5)0.0294 (2)
Cl30.89236 (8)0.19581 (4)0.31697 (4)0.0300 (2)
P10.84146 (7)0.08406 (4)0.38574 (4)0.0177 (2)
P20.89468 (7)0.01497 (4)0.28107 (4)0.0164 (2)
P31.06636 (7)0.08545 (4)0.33854 (4)0.0177 (2)
P40.68196 (8)0.24561 (4)0.21222 (4)0.0181 (2)
P50.82749 (8)0.20699 (4)0.11452 (4)0.0203 (2)
P60.91334 (8)0.28366 (4)0.21085 (4)0.0193 (2)
P70.31361 (9)0.01463 (5)0.01538 (5)0.0363 (3)
F10.4256 (2)0.03052 (13)0.00022 (15)0.0662 (9)
F20.2726 (2)0.03213 (13)0.04727 (14)0.0654 (9)
F30.2953 (3)0.07073 (16)0.0385 (2)0.1154 (17)
F40.3330 (3)0.04211 (12)0.00917 (15)0.0724 (10)
F50.2020 (2)0.00248 (18)0.03012 (16)0.0929 (13)
F60.3545 (3)0.00436 (17)0.07785 (13)0.0831 (12)
O10.9653 (3)0.37704 (16)0.03907 (19)0.0713 (12)
H10.95480.34950.02150.107*
C1A1.0686 (4)0.3861 (2)0.0446 (2)0.0569 (15)
H1AA1.09640.38640.00620.068*
H1AB1.10100.35780.06660.068*
C10.9824 (3)0.00164 (15)0.39652 (16)0.0200 (9)
C2A1.0943 (5)0.4364 (2)0.0743 (3)0.0742 (18)
H2AC1.08120.46480.04770.089*
H2AB1.16540.43640.08690.089*
H2AA1.05300.44040.10740.089*
C21.0132 (3)0.04669 (16)0.43697 (19)0.0297 (10)
H2A1.07470.06260.42400.036*
H2B0.95920.07210.43650.036*
H2C1.02520.03370.47590.036*
C30.9728 (3)0.02418 (14)0.33356 (16)0.0191 (8)
H3A0.94330.05890.33530.023*
H3B1.04100.02770.31910.023*
C41.0656 (3)0.04056 (15)0.40147 (16)0.0218 (9)
H4A1.13190.02370.40580.026*
H4B1.05600.06090.43640.026*
C50.8789 (3)0.01990 (14)0.41624 (16)0.0199 (9)
H5A0.88230.02260.45840.024*
H5B0.82560.00510.40550.024*
C60.7581 (3)0.31442 (15)0.12339 (18)0.0238 (10)
C70.7722 (3)0.26783 (15)0.08220 (17)0.0255 (9)
H7A0.81590.27910.05160.031*
H7B0.70590.25940.06400.031*
C80.8588 (3)0.32969 (15)0.15548 (17)0.0253 (9)
H8A0.84840.36300.17440.030*
H8B0.90950.33510.12660.030*
C90.6715 (3)0.30444 (13)0.16498 (17)0.0235 (9)
H9A0.60770.30200.14180.028*
H9B0.66650.33480.19000.028*
C100.7237 (4)0.36121 (16)0.08515 (19)0.0325 (11)
H10A0.77760.37060.06010.039*
H10B0.70860.39040.10960.039*
H10C0.66350.35190.06190.039*
C11A0.7013 (3)0.08610 (15)0.38720 (16)0.0212 (9)
C11B0.8720 (3)0.12824 (15)0.44801 (16)0.0223 (9)
C12A0.6562 (3)0.13493 (18)0.37883 (18)0.0316 (10)
H12A0.69700.16390.37230.038*
C12B0.8198 (4)0.12136 (18)0.49782 (18)0.0346 (11)
H12B0.77350.09390.49970.042*
C13A0.5515 (3)0.1408 (2)0.3802 (2)0.0396 (12)
H13A0.52200.17360.37540.048*
C13B0.8338 (4)0.1538 (2)0.5447 (2)0.0450 (13)
H13B0.79590.14880.57740.054*
C14A0.4903 (3)0.0975 (2)0.3887 (2)0.0424 (12)
H14A0.41950.10110.38860.051*
C14B0.9031 (4)0.1934 (2)0.5437 (2)0.0473 (13)
H14B0.91150.21590.57530.057*
C15A0.5344 (3)0.0496 (2)0.3971 (2)0.0426 (13)
H15A0.49310.02070.40320.051*
C15B0.9602 (4)0.1998 (2)0.4958 (2)0.0481 (14)
H15B1.01000.22570.49550.058*
C16A0.6388 (3)0.04338 (17)0.39657 (19)0.0299 (10)
H16A0.66760.01050.40250.036*
C16B0.9435 (4)0.16731 (18)0.4473 (2)0.0366 (12)
H16B0.98120.17230.41440.044*
C21A0.9268 (3)0.00966 (15)0.20933 (16)0.0222 (9)
C21B0.7674 (3)0.01477 (14)0.28391 (16)0.0193 (8)
C22A0.9703 (3)0.05854 (16)0.20211 (19)0.0320 (10)
H22A0.98500.07980.23420.038*
C22B0.7441 (3)0.05770 (16)0.31862 (19)0.0321 (10)
H22B0.79570.07300.34210.039*
C23A0.9916 (4)0.0753 (2)0.1467 (2)0.0494 (14)
H23A1.02150.10790.14180.059*
C23B0.6474 (4)0.0774 (2)0.3186 (2)0.0427 (12)
H23B0.63390.10580.34240.051*
C24A0.9691 (4)0.0446 (2)0.0992 (2)0.0481 (14)
H24A0.98590.05570.06230.058*
C24B0.5696 (4)0.0562 (2)0.2843 (3)0.0470 (14)
H24B0.50350.06940.28580.056*
C25A0.9226 (4)0.00182 (19)0.1060 (2)0.0436 (13)
H25A0.90420.02200.07360.052*
C25B0.5894 (3)0.0163 (2)0.2484 (2)0.0452 (13)
H25B0.53690.00230.22450.054*
C26A0.9018 (3)0.01968 (17)0.16111 (17)0.0308 (10)
H26A0.87060.05200.16530.037*
C26B0.6893 (3)0.00458 (18)0.2468 (2)0.0373 (11)
H26B0.70290.03130.22100.045*
C31A1.1484 (3)0.13973 (15)0.36416 (17)0.0215 (9)
C31B1.1597 (3)0.05372 (14)0.29157 (17)0.0201 (9)
C32A1.2091 (3)0.13792 (17)0.41579 (18)0.0295 (10)
H32A1.20330.11000.44130.035*
C32B1.1420 (3)0.04843 (19)0.23168 (19)0.0334 (11)
H32B1.08100.06040.21400.040*
C33A1.2772 (4)0.17752 (18)0.42868 (19)0.0359 (11)
H33A1.31840.17580.46270.043*
C33B1.2149 (4)0.0254 (2)0.1986 (2)0.0467 (13)
H33B1.20270.02240.15860.056*
C34A1.2857 (4)0.21958 (18)0.3922 (2)0.0412 (12)
H34A1.33140.24640.40160.049*
C34B1.3029 (4)0.0071 (2)0.2230 (2)0.0490 (14)
H34B1.35070.00900.20020.059*
C35A1.2259 (4)0.22149 (19)0.3418 (2)0.0470 (13)
H35A1.23140.24990.31690.056*
C35B1.3216 (4)0.0125 (2)0.2811 (2)0.0471 (13)
H35B1.38330.00070.29810.057*
C36A1.1583 (3)0.18237 (17)0.3276 (2)0.0360 (11)
H36A1.11840.18430.29310.043*
C36B1.2510 (3)0.03505 (18)0.3153 (2)0.0343 (11)
H36B1.26500.03780.35520.041*
C41A0.6276 (3)0.27088 (15)0.27855 (18)0.0244 (9)
C41B0.5740 (3)0.20461 (16)0.18605 (18)0.0250 (9)
C42A0.6786 (4)0.26903 (17)0.33218 (18)0.0332 (11)
H42A0.74360.25430.33590.040*
C42B0.5277 (4)0.17226 (18)0.2259 (2)0.0402 (12)
H42B0.55020.17280.26480.048*
C43A0.6334 (5)0.2891 (2)0.3808 (2)0.0518 (14)
H43A0.66880.28740.41680.062*
C43B0.4486 (4)0.1394 (2)0.2080 (3)0.0516 (14)
H43B0.41860.11790.23510.062*
C44A0.5394 (5)0.31115 (19)0.3773 (2)0.0562 (16)
H44A0.51060.32480.41030.067*
C44B0.4135 (4)0.1378 (2)0.1506 (3)0.0531 (14)
H44B0.36110.11500.13870.064*
C45A0.4871 (5)0.3130 (2)0.3241 (3)0.0554 (15)
H45A0.42210.32780.32120.067*
C45B0.4565 (4)0.1701 (2)0.1113 (2)0.0440 (13)
H45B0.43220.16980.07260.053*
C46A0.5299 (3)0.29332 (19)0.2750 (2)0.0418 (12)
H46A0.49360.29500.23930.050*
C46B0.5371 (3)0.20363 (18)0.12878 (19)0.0343 (10)
H46B0.56590.22540.10160.041*
C51A0.9522 (3)0.20103 (17)0.08136 (16)0.0262 (9)
C51B0.7578 (3)0.15728 (16)0.07079 (18)0.0273 (10)
C52A0.9963 (3)0.15151 (18)0.0781 (2)0.0344 (11)
H52A0.96030.12260.09040.041*
C52B0.7042 (4)0.11782 (17)0.0952 (2)0.0415 (12)
H52B0.70320.11460.13550.050*
C53A1.0910 (4)0.1448 (2)0.0571 (2)0.0442 (13)
H53A1.11900.11150.05550.053*
C53B0.6508 (4)0.0823 (2)0.0589 (3)0.0617 (17)
H53B0.61330.05560.07520.074*
C54A1.1452 (4)0.1866 (2)0.0386 (2)0.0470 (14)
H54A1.21080.18210.02550.056*
C54B0.6529 (5)0.0863 (3)0.0002 (3)0.0649 (17)
H54B0.61630.06260.02340.078*
C55A1.1030 (4)0.2349 (2)0.0396 (2)0.0461 (13)
H55A1.13930.26290.02520.055*
C55B0.7074 (5)0.1241 (3)0.0239 (3)0.0694 (18)
H55B0.71030.12590.06420.083*
C56A1.0066 (3)0.24368 (17)0.06150 (18)0.0322 (10)
H56A0.97940.27720.06280.039*
C56B0.7594 (4)0.1607 (2)0.0104 (2)0.0492 (13)
H56B0.79540.18750.00680.059*
C61A1.0518 (3)0.28902 (17)0.19975 (16)0.0266 (9)
C61B0.9073 (3)0.32007 (15)0.27978 (17)0.0248 (10)
C62A1.1137 (3)0.24683 (19)0.19267 (19)0.0386 (11)
H62A1.08670.21320.19190.046*
C62B0.9747 (4)0.30707 (17)0.32586 (18)0.0333 (11)
H62B1.02460.28180.32060.040*
C63A1.2194 (4)0.2551 (2)0.1865 (2)0.0533 (15)
H63A1.26260.22670.18200.064*
C63B0.9690 (4)0.3309 (2)0.3792 (2)0.0475 (14)
H63B1.01530.32190.40950.057*
C64A1.2591 (4)0.3050 (3)0.1872 (2)0.0593 (18)
H64A1.32890.31000.18320.071*
C64B0.8949 (5)0.3679 (2)0.3880 (2)0.0527 (16)
H64B0.89050.38340.42440.063*
C65A1.1973 (4)0.3463 (3)0.1934 (2)0.0536 (15)
H65A1.22410.38000.19380.064*
C65B0.8274 (4)0.38208 (18)0.3429 (2)0.0467 (14)
H65B0.77840.40770.34850.056*
C66A1.0948 (4)0.33857 (19)0.1992 (2)0.0401 (12)
H66A1.05250.36750.20290.048*
C66B0.8329 (4)0.35795 (17)0.2893 (2)0.0352 (11)
H66B0.78640.36710.25920.042*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru10.01471 (15)0.01383 (14)0.01470 (14)0.00060 (14)0.00021 (12)0.00210 (13)
Ru20.01867 (17)0.01274 (15)0.01687 (16)0.00091 (15)0.00185 (13)0.00067 (14)
Cl10.0387 (6)0.0285 (6)0.0322 (6)0.0013 (5)0.0044 (5)0.0067 (5)
Cl20.0320 (6)0.0230 (5)0.0328 (6)0.0029 (4)0.0037 (5)0.0025 (4)
Cl30.0337 (6)0.0250 (5)0.0311 (6)0.0021 (5)0.0021 (5)0.0059 (4)
P10.0176 (5)0.0186 (5)0.0169 (5)0.0015 (4)0.0019 (4)0.0017 (4)
P20.0166 (5)0.0163 (5)0.0164 (5)0.0007 (4)0.0008 (4)0.0009 (4)
P30.0165 (5)0.0196 (5)0.0168 (5)0.0019 (4)0.0013 (4)0.0031 (4)
P40.0204 (5)0.0148 (5)0.0190 (5)0.0011 (4)0.0003 (4)0.0007 (4)
P50.0233 (6)0.0179 (5)0.0196 (5)0.0014 (5)0.0020 (4)0.0013 (4)
P60.0225 (5)0.0176 (5)0.0180 (5)0.0019 (4)0.0020 (4)0.0001 (4)
P70.0305 (7)0.0469 (7)0.0312 (7)0.0028 (6)0.0018 (5)0.0073 (6)
F10.0344 (17)0.077 (2)0.087 (3)0.0128 (16)0.0034 (16)0.0018 (19)
F20.062 (2)0.078 (2)0.0545 (19)0.0260 (18)0.0248 (16)0.0264 (17)
F30.113 (4)0.088 (3)0.142 (4)0.048 (3)0.030 (3)0.073 (3)
F40.091 (3)0.0432 (18)0.083 (3)0.0047 (18)0.001 (2)0.0184 (17)
F50.0322 (18)0.171 (4)0.076 (2)0.002 (2)0.0100 (17)0.039 (3)
F60.063 (2)0.145 (3)0.0396 (19)0.023 (2)0.0137 (16)0.008 (2)
O10.067 (3)0.065 (3)0.082 (3)0.013 (2)0.005 (2)0.014 (2)
C1A0.049 (4)0.070 (4)0.052 (3)0.004 (3)0.011 (3)0.005 (3)
C10.020 (2)0.022 (2)0.018 (2)0.0041 (18)0.0016 (16)0.0066 (17)
C2A0.076 (5)0.060 (4)0.086 (5)0.008 (4)0.004 (4)0.007 (4)
C20.031 (2)0.027 (2)0.030 (2)0.000 (2)0.001 (2)0.0088 (19)
C30.018 (2)0.0168 (19)0.022 (2)0.0029 (16)0.0012 (16)0.0043 (16)
C40.023 (2)0.028 (2)0.0140 (19)0.0028 (18)0.0011 (16)0.0067 (17)
C50.023 (2)0.017 (2)0.019 (2)0.0012 (17)0.0017 (17)0.0069 (16)
C60.027 (2)0.022 (2)0.023 (2)0.0076 (18)0.0060 (18)0.0059 (18)
C70.026 (2)0.027 (2)0.023 (2)0.0059 (18)0.0043 (18)0.0047 (18)
C80.034 (3)0.0175 (19)0.025 (2)0.0011 (18)0.0091 (19)0.0060 (17)
C90.028 (2)0.0123 (19)0.030 (2)0.0053 (17)0.0005 (18)0.0024 (16)
C100.037 (3)0.028 (2)0.033 (3)0.008 (2)0.003 (2)0.008 (2)
C11A0.017 (2)0.031 (2)0.0155 (19)0.0015 (17)0.0041 (16)0.0021 (16)
C11B0.024 (2)0.024 (2)0.019 (2)0.0012 (18)0.0023 (17)0.0054 (17)
C12A0.029 (3)0.036 (3)0.031 (2)0.002 (2)0.006 (2)0.008 (2)
C12B0.045 (3)0.038 (3)0.022 (2)0.014 (2)0.006 (2)0.0001 (19)
C13A0.031 (3)0.047 (3)0.041 (3)0.013 (2)0.006 (2)0.012 (2)
C13B0.050 (3)0.056 (3)0.029 (3)0.011 (3)0.006 (2)0.016 (2)
C14A0.018 (2)0.067 (4)0.043 (3)0.001 (3)0.004 (2)0.004 (3)
C14B0.051 (3)0.058 (4)0.033 (3)0.005 (3)0.004 (2)0.022 (2)
C15A0.028 (3)0.057 (3)0.045 (3)0.013 (2)0.016 (2)0.008 (3)
C15B0.048 (3)0.047 (3)0.049 (3)0.019 (3)0.002 (3)0.015 (3)
C16A0.022 (2)0.031 (2)0.037 (3)0.001 (2)0.005 (2)0.003 (2)
C16B0.038 (3)0.038 (3)0.034 (3)0.005 (2)0.009 (2)0.010 (2)
C21A0.022 (2)0.024 (2)0.020 (2)0.0005 (17)0.0009 (17)0.0020 (17)
C21B0.017 (2)0.018 (2)0.023 (2)0.0060 (16)0.0024 (17)0.0040 (16)
C22A0.041 (3)0.027 (2)0.028 (2)0.010 (2)0.003 (2)0.0003 (19)
C22B0.033 (3)0.027 (2)0.035 (3)0.013 (2)0.000 (2)0.003 (2)
C23A0.061 (4)0.048 (3)0.040 (3)0.026 (3)0.006 (3)0.015 (2)
C23B0.041 (3)0.045 (3)0.042 (3)0.020 (2)0.002 (2)0.003 (2)
C24A0.061 (4)0.059 (4)0.025 (3)0.014 (3)0.009 (2)0.011 (2)
C24B0.031 (3)0.041 (3)0.070 (4)0.020 (2)0.013 (3)0.025 (3)
C25A0.071 (4)0.040 (3)0.020 (2)0.002 (3)0.003 (2)0.003 (2)
C25B0.018 (2)0.052 (3)0.065 (4)0.006 (2)0.010 (2)0.009 (3)
C26A0.042 (3)0.029 (2)0.022 (2)0.010 (2)0.002 (2)0.0022 (19)
C26B0.023 (2)0.038 (3)0.051 (3)0.003 (2)0.000 (2)0.001 (2)
C31A0.0124 (19)0.026 (2)0.026 (2)0.0071 (16)0.0010 (16)0.0026 (17)
C31B0.013 (2)0.021 (2)0.027 (2)0.0009 (16)0.0037 (17)0.0039 (17)
C32A0.036 (3)0.031 (2)0.021 (2)0.006 (2)0.0035 (19)0.0023 (18)
C32B0.018 (2)0.061 (3)0.021 (2)0.004 (2)0.0013 (19)0.005 (2)
C33A0.039 (3)0.045 (3)0.023 (2)0.006 (2)0.004 (2)0.011 (2)
C33B0.036 (3)0.080 (4)0.024 (2)0.016 (3)0.010 (2)0.014 (3)
C34A0.041 (3)0.042 (3)0.041 (3)0.015 (2)0.001 (2)0.009 (2)
C34B0.031 (3)0.065 (4)0.053 (3)0.004 (3)0.020 (3)0.014 (3)
C35A0.051 (3)0.038 (3)0.051 (3)0.021 (2)0.012 (3)0.013 (2)
C35B0.028 (3)0.062 (4)0.052 (3)0.014 (2)0.005 (2)0.000 (3)
C36A0.036 (3)0.034 (3)0.037 (3)0.015 (2)0.013 (2)0.015 (2)
C36B0.029 (3)0.043 (3)0.031 (2)0.010 (2)0.001 (2)0.001 (2)
C41A0.028 (2)0.018 (2)0.029 (2)0.0029 (18)0.0088 (19)0.0012 (17)
C41B0.018 (2)0.020 (2)0.037 (2)0.0053 (18)0.0053 (17)0.0012 (19)
C42A0.038 (3)0.032 (2)0.030 (3)0.002 (2)0.008 (2)0.003 (2)
C42B0.036 (3)0.035 (3)0.049 (3)0.012 (2)0.001 (2)0.003 (2)
C43A0.075 (4)0.054 (3)0.028 (3)0.019 (3)0.012 (3)0.002 (2)
C43B0.040 (3)0.043 (3)0.071 (4)0.019 (3)0.006 (3)0.008 (3)
C44A0.082 (5)0.036 (3)0.054 (4)0.012 (3)0.041 (3)0.015 (3)
C44B0.038 (3)0.044 (3)0.075 (4)0.013 (3)0.017 (3)0.010 (3)
C45A0.054 (3)0.046 (3)0.069 (4)0.012 (3)0.031 (3)0.002 (3)
C45B0.036 (3)0.043 (3)0.051 (3)0.004 (2)0.020 (2)0.014 (3)
C46A0.033 (3)0.044 (3)0.049 (3)0.013 (2)0.010 (2)0.000 (2)
C46B0.036 (3)0.035 (2)0.032 (2)0.003 (2)0.006 (2)0.001 (2)
C51A0.027 (2)0.033 (2)0.019 (2)0.003 (2)0.0040 (17)0.0048 (18)
C51B0.024 (2)0.027 (2)0.030 (2)0.0003 (18)0.0066 (19)0.0136 (19)
C52A0.035 (3)0.030 (3)0.038 (3)0.007 (2)0.003 (2)0.001 (2)
C52B0.049 (3)0.031 (3)0.045 (3)0.002 (2)0.001 (2)0.017 (2)
C53A0.040 (3)0.046 (3)0.047 (3)0.024 (3)0.007 (2)0.006 (3)
C53B0.057 (4)0.038 (3)0.090 (5)0.018 (3)0.003 (3)0.020 (3)
C54A0.032 (3)0.075 (4)0.035 (3)0.013 (3)0.011 (2)0.002 (3)
C54B0.053 (4)0.069 (4)0.072 (4)0.002 (3)0.008 (3)0.044 (4)
C55A0.052 (3)0.053 (3)0.036 (3)0.006 (3)0.019 (2)0.006 (2)
C55B0.062 (4)0.099 (5)0.046 (3)0.002 (4)0.013 (3)0.032 (3)
C56A0.037 (3)0.033 (2)0.027 (2)0.001 (2)0.006 (2)0.0027 (19)
C56B0.058 (3)0.058 (3)0.031 (3)0.006 (3)0.010 (2)0.013 (2)
C61A0.021 (2)0.043 (3)0.016 (2)0.002 (2)0.0012 (16)0.0011 (19)
C61B0.031 (2)0.022 (2)0.022 (2)0.0162 (19)0.011 (2)0.0025 (17)
C62A0.034 (3)0.049 (3)0.033 (3)0.003 (2)0.002 (2)0.005 (2)
C62B0.042 (3)0.032 (3)0.026 (2)0.016 (2)0.004 (2)0.0001 (19)
C63A0.035 (3)0.084 (4)0.041 (3)0.027 (3)0.004 (2)0.005 (3)
C63B0.061 (4)0.056 (3)0.026 (3)0.034 (3)0.001 (2)0.004 (2)
C64A0.029 (3)0.119 (6)0.030 (3)0.018 (4)0.001 (2)0.019 (3)
C64B0.082 (4)0.043 (3)0.036 (3)0.032 (3)0.024 (3)0.021 (3)
C65A0.032 (3)0.088 (4)0.041 (3)0.020 (3)0.007 (2)0.004 (3)
C65B0.058 (4)0.028 (3)0.056 (3)0.015 (2)0.029 (3)0.019 (2)
C66A0.036 (3)0.045 (3)0.040 (3)0.016 (2)0.009 (2)0.009 (2)
C66B0.042 (3)0.027 (2)0.038 (3)0.012 (2)0.016 (2)0.012 (2)
Geometric parameters (Å, º) top
Ru1—P12.2469 (11)C23A—H23A0.9300
Ru1—P32.2682 (12)C23B—C24B1.369 (7)
Ru1—P22.2719 (11)C23B—H23B0.9300
Ru1—Cl32.4449 (12)C24A—C25A1.348 (7)
Ru1—Cl22.4553 (13)C24A—H24A0.9300
Ru1—Cl12.4650 (12)C24B—C25B1.348 (7)
Ru1—Ru23.3997 (7)C24B—H24B0.9300
Ru2—P42.2617 (12)C25A—C26A1.385 (6)
Ru2—P62.2635 (11)C25A—H25A0.9300
Ru2—P52.2657 (11)C25B—C26B1.413 (6)
Ru2—Cl12.4717 (12)C25B—H25B0.9300
Ru2—Cl22.4738 (11)C26A—H26A0.9300
Ru2—Cl32.4776 (12)C26B—H26B0.9300
P1—C11A1.835 (4)C31A—C36A1.387 (5)
P1—C51.843 (4)C31A—C32A1.397 (6)
P1—C11B1.853 (4)C31B—C36B1.374 (6)
P2—C21A1.833 (4)C31B—C32B1.392 (6)
P2—C21B1.834 (4)C32A—C33A1.373 (6)
P2—C31.841 (4)C32A—H32A0.9300
P3—C31A1.836 (4)C32B—C33B1.379 (6)
P3—C41.848 (4)C32B—H32B0.9300
P3—C31B1.854 (4)C33A—C34A1.372 (6)
P4—C41A1.830 (4)C33A—H33A0.9300
P4—C41B1.837 (4)C33B—C34B1.340 (7)
P4—C91.858 (4)C33B—H33B0.9300
P5—C51B1.837 (4)C34A—C35A1.368 (7)
P5—C51A1.837 (4)C34A—H34A0.9300
P5—C71.857 (4)C34B—C35B1.355 (7)
P6—C61B1.844 (4)C34B—H34B0.9300
P6—C61A1.845 (4)C35A—C36A1.365 (6)
P6—C81.853 (4)C35A—H35A0.9300
P7—F31.554 (4)C35B—C36B1.366 (6)
P7—F11.574 (3)C35B—H35B0.9300
P7—F51.575 (3)C36A—H36A0.9300
P7—F21.578 (3)C36B—H36B0.9300
P7—F41.583 (3)C41A—C42A1.375 (6)
P7—F61.585 (3)C41A—C46A1.399 (6)
O1—C1A1.371 (6)C41B—C46B1.381 (6)
O1—H10.8200C41B—C42B1.394 (6)
C1A—C2A1.487 (8)C42A—C43A1.387 (6)
C1A—H1AA0.9700C42A—H42A0.9300
C1A—H1AB0.9700C42B—C43B1.381 (6)
C1—C21.524 (5)C42B—H42B0.9300
C1—C41.533 (5)C43A—C44A1.350 (8)
C1—C51.549 (5)C43A—H43A0.9300
C1—C31.558 (5)C43B—C44B1.378 (8)
C2A—H2AC0.9600C43B—H43B0.9300
C2A—H2AB0.9600C44A—C45A1.374 (8)
C2A—H2AA0.9600C44A—H44A0.9300
C2—H2A0.9600C44B—C45B1.364 (7)
C2—H2B0.9600C44B—H44B0.9300
C2—H2C0.9600C45A—C46A1.378 (7)
C3—H3A0.9700C45A—H45A0.9300
C3—H3B0.9700C45B—C46B1.404 (6)
C4—H4A0.9700C45B—H45B0.9300
C4—H4B0.9700C46A—H46A0.9300
C5—H5A0.9700C46B—H46B0.9300
C5—H5B0.9700C51A—C56A1.392 (6)
C6—C81.529 (6)C51A—C52A1.397 (6)
C6—C91.536 (5)C51B—C52B1.365 (6)
C6—C71.539 (6)C51B—C56B1.392 (6)
C6—C101.541 (6)C52A—C53A1.359 (6)
C7—H7A0.9700C52A—H52A0.9300
C7—H7B0.9700C52B—C53B1.399 (7)
C8—H8A0.9700C52B—H52B0.9300
C8—H8B0.9700C53A—C54A1.363 (7)
C9—H9A0.9700C53A—H53A0.9300
C9—H9B0.9700C53B—C54B1.354 (8)
C10—H10A0.9600C53B—H53B0.9300
C10—H10B0.9600C54A—C55A1.352 (7)
C10—H10C0.9600C54A—H54A0.9300
C11A—C16A1.388 (6)C54B—C55B1.339 (9)
C11A—C12A1.392 (6)C54B—H54B0.9300
C11B—C16B1.369 (6)C55A—C56A1.398 (6)
C11B—C12B1.371 (5)C55A—H55A0.9300
C12A—C13A1.378 (6)C55B—C56B1.384 (7)
C12A—H12A0.9300C55B—H55B0.9300
C12B—C13B1.366 (6)C56A—H56A0.9300
C12B—H12B0.9300C56B—H56B0.9300
C13A—C14A1.385 (7)C61A—C62A1.363 (6)
C13A—H13A0.9300C61A—C66A1.388 (6)
C13B—C14B1.359 (7)C61B—C62B1.387 (6)
C13B—H13B0.9300C61B—C66B1.398 (6)
C14A—C15A1.365 (7)C62A—C63A1.412 (7)
C14A—H14A0.9300C62A—H62A0.9300
C14B—C15B1.367 (7)C62B—C63B1.374 (6)
C14B—H14B0.9300C62B—H62B0.9300
C15A—C16A1.375 (6)C63A—C64A1.378 (8)
C15A—H15A0.9300C63A—H63A0.9300
C15B—C16B1.401 (6)C63B—C64B1.376 (7)
C15B—H15B0.9300C63B—H63B0.9300
C16A—H16A0.9300C64A—C65A1.343 (8)
C16B—H16B0.9300C64A—H64A0.9300
C21A—C26A1.366 (6)C64B—C65B1.378 (8)
C21A—C22A1.388 (5)C64B—H64B0.9300
C21B—C26B1.390 (6)C65A—C66A1.367 (7)
C21B—C22B1.400 (5)C65A—H65A0.9300
C22A—C23A1.384 (6)C65B—C66B1.383 (6)
C22A—H22A0.9300C65B—H65B0.9300
C22B—C23B1.361 (6)C66A—H66A0.9300
C22B—H22B0.9300C66B—H66B0.9300
C23A—C24A1.368 (7)
P1—Ru1—P389.55 (4)C14A—C15A—C16A121.0 (4)
P1—Ru1—P286.35 (4)C14A—C15A—H15A119.5
P3—Ru1—P286.97 (4)C16A—C15A—H15A119.5
P1—Ru1—Cl391.04 (4)C14B—C15B—C16B119.8 (5)
P3—Ru1—Cl3101.30 (4)C14B—C15B—H15B120.1
P2—Ru1—Cl3171.32 (4)C16B—C15B—H15B120.1
P1—Ru1—Cl299.06 (4)C15A—C16A—C11A120.1 (4)
P3—Ru1—Cl2171.32 (4)C15A—C16A—H16A119.9
P2—Ru1—Cl294.61 (4)C11A—C16A—H16A119.9
Cl3—Ru1—Cl277.62 (4)C11B—C16B—C15B120.4 (4)
P1—Ru1—Cl1169.07 (4)C11B—C16B—H16B119.8
P3—Ru1—Cl192.89 (4)C15B—C16B—H16B119.8
P2—Ru1—Cl1104.41 (4)C26A—C21A—C22A118.8 (4)
Cl3—Ru1—Cl178.04 (4)C26A—C21A—P2119.0 (3)
Cl2—Ru1—Cl178.44 (4)C22A—C21A—P2122.0 (3)
P1—Ru1—Ru2124.55 (3)C26B—C21B—C22B117.2 (4)
P3—Ru1—Ru2126.79 (3)C26B—C21B—P2118.1 (3)
P2—Ru1—Ru2129.45 (3)C22B—C21B—P2124.6 (3)
Cl3—Ru1—Ru246.72 (3)C23A—C22A—C21A119.4 (4)
Cl2—Ru1—Ru246.62 (3)C23A—C22A—H22A120.3
Cl1—Ru1—Ru246.56 (3)C21A—C22A—H22A120.3
P4—Ru2—P689.24 (4)C23B—C22B—C21B121.2 (5)
P4—Ru2—P588.82 (5)C23B—C22B—H22B119.4
P6—Ru2—P587.37 (4)C21B—C22B—H22B119.4
P4—Ru2—Cl1164.54 (4)C24A—C23A—C22A120.8 (4)
P6—Ru2—Cl1105.98 (4)C24A—C23A—H23A119.6
P5—Ru2—Cl189.17 (4)C22A—C23A—H23A119.6
P4—Ru2—Cl288.08 (4)C22B—C23B—C24B121.1 (5)
P6—Ru2—Cl2164.47 (4)C22B—C23B—H23B119.4
P5—Ru2—Cl2107.86 (4)C24B—C23B—H23B119.4
Cl1—Ru2—Cl277.96 (4)C25A—C24A—C23A119.6 (4)
P4—Ru2—Cl3106.14 (4)C25A—C24A—H24A120.2
P6—Ru2—Cl389.42 (4)C23A—C24A—H24A120.2
P5—Ru2—Cl3164.66 (4)C25B—C24B—C23B119.7 (5)
Cl1—Ru2—Cl377.31 (4)C25B—C24B—H24B120.1
Cl2—Ru2—Cl376.67 (4)C23B—C24B—H24B120.1
P4—Ru2—Ru1125.70 (3)C24A—C25A—C26A120.5 (5)
P6—Ru2—Ru1126.31 (3)C24A—C25A—H25A119.8
P5—Ru2—Ru1127.00 (3)C26A—C25A—H25A119.8
Cl1—Ru2—Ru146.39 (3)C24B—C25B—C26B120.4 (5)
Cl2—Ru2—Ru146.17 (3)C24B—C25B—H25B119.8
Cl3—Ru2—Ru145.92 (3)C26B—C25B—H25B119.8
Ru1—Cl1—Ru287.05 (4)C21A—C26A—C25A120.7 (4)
Ru1—Cl2—Ru287.21 (4)C21A—C26A—H26A119.6
Ru1—Cl3—Ru287.36 (4)C25A—C26A—H26A119.6
C11A—P1—C5105.42 (17)C21B—C26B—C25B120.2 (4)
C11A—P1—C11B98.50 (18)C21B—C26B—H26B119.9
C5—P1—C11B101.90 (18)C25B—C26B—H26B119.9
C11A—P1—Ru1115.68 (13)C36A—C31A—C32A118.4 (4)
C5—P1—Ru1114.38 (12)C36A—C31A—P3118.1 (3)
C11B—P1—Ru1118.72 (13)C32A—C31A—P3123.2 (3)
C21A—P2—C21B97.78 (17)C36B—C31B—C32B117.4 (4)
C21A—P2—C3105.05 (17)C36B—C31B—P3120.3 (3)
C21B—P2—C3103.11 (18)C32B—C31B—P3122.3 (3)
C21A—P2—Ru1119.13 (13)C33A—C32A—C31A119.7 (4)
C21B—P2—Ru1117.26 (12)C33A—C32A—H32A120.1
C3—P2—Ru1112.31 (13)C31A—C32A—H32A120.1
C31A—P3—C4104.12 (18)C33B—C32B—C31B119.9 (4)
C31A—P3—C31B97.36 (17)C33B—C32B—H32B120.0
C4—P3—C31B102.20 (18)C31B—C32B—H32B120.0
C31A—P3—Ru1119.84 (13)C34A—C33A—C32A121.2 (4)
C4—P3—Ru1112.86 (13)C34A—C33A—H33A119.4
C31B—P3—Ru1117.83 (13)C32A—C33A—H33A119.4
C41A—P4—C41B98.82 (18)C34B—C33B—C32B121.4 (5)
C41A—P4—C9100.36 (18)C34B—C33B—H33B119.3
C41B—P4—C9103.72 (18)C32B—C33B—H33B119.3
C41A—P4—Ru2122.27 (15)C35A—C34A—C33A119.1 (4)
C41B—P4—Ru2113.97 (13)C35A—C34A—H34A120.4
C9—P4—Ru2114.91 (13)C33A—C34A—H34A120.4
C51B—P5—C51A98.15 (19)C33B—C34B—C35B119.2 (4)
C51B—P5—C7100.87 (19)C33B—C34B—H34B120.4
C51A—P5—C7103.86 (19)C35B—C34B—H34B120.4
C51B—P5—Ru2121.93 (15)C36A—C35A—C34A121.0 (4)
C51A—P5—Ru2114.37 (14)C36A—C35A—H35A119.5
C7—P5—Ru2114.87 (13)C34A—C35A—H35A119.5
C61B—P6—C61A99.37 (19)C34B—C35B—C36B121.0 (5)
C61B—P6—C8103.80 (19)C34B—C35B—H35B119.5
C61A—P6—C8101.92 (18)C36B—C35B—H35B119.5
C61B—P6—Ru2113.20 (12)C35A—C36A—C31A120.6 (4)
C61A—P6—Ru2120.97 (15)C35A—C36A—H36A119.7
C8—P6—Ru2115.11 (13)C31A—C36A—H36A119.7
F3—P7—F189.8 (2)C35B—C36B—C31B121.1 (4)
F3—P7—F591.4 (3)C35B—C36B—H36B119.5
F1—P7—F5178.8 (2)C31B—C36B—H36B119.5
F3—P7—F289.9 (2)C42A—C41A—C46A118.0 (4)
F1—P7—F290.27 (18)C42A—C41A—P4123.0 (3)
F5—P7—F289.79 (18)C46A—C41A—P4119.0 (3)
F3—P7—F4179.0 (3)C46B—C41B—C42B118.2 (4)
F1—P7—F489.58 (19)C46B—C41B—P4123.5 (3)
F5—P7—F489.2 (2)C42B—C41B—P4118.3 (3)
F2—P7—F489.3 (2)C41A—C42A—C43A120.2 (5)
F3—P7—F691.4 (2)C41A—C42A—H42A119.9
F1—P7—F690.11 (19)C43A—C42A—H42A119.9
F5—P7—F689.8 (2)C43B—C42B—C41B120.6 (5)
F2—P7—F6178.6 (2)C43B—C42B—H42B119.7
F4—P7—F689.4 (2)C41B—C42B—H42B119.7
C1A—O1—H1109.5C44A—C43A—C42A121.9 (5)
O1—C1A—C2A113.0 (5)C44A—C43A—H43A119.1
O1—C1A—H1AA109.0C42A—C43A—H43A119.1
C2A—C1A—H1AA109.0C44B—C43B—C42B121.0 (5)
O1—C1A—H1AB109.0C44B—C43B—H43B119.5
C2A—C1A—H1AB109.0C42B—C43B—H43B119.5
H1AA—C1A—H1AB107.8C43A—C44A—C45A118.7 (5)
C2—C1—C4108.8 (3)C43A—C44A—H44A120.6
C2—C1—C5107.5 (3)C45A—C44A—H44A120.6
C4—C1—C5110.7 (3)C45B—C44B—C43B119.2 (5)
C2—C1—C3107.1 (3)C45B—C44B—H44B120.4
C4—C1—C3110.9 (3)C43B—C44B—H44B120.4
C5—C1—C3111.7 (3)C44A—C45A—C46A120.8 (5)
C1A—C2A—H2AC109.5C44A—C45A—H45A119.6
C1A—C2A—H2AB109.5C46A—C45A—H45A119.6
H2AC—C2A—H2AB109.5C44B—C45B—C46B120.5 (5)
C1A—C2A—H2AA109.5C44B—C45B—H45B119.8
H2AC—C2A—H2AA109.5C46B—C45B—H45B119.8
H2AB—C2A—H2AA109.5C45A—C46A—C41A120.5 (5)
C1—C2—H2A109.5C45A—C46A—H46A119.8
C1—C2—H2B109.5C41A—C46A—H46A119.8
H2A—C2—H2B109.5C41B—C46B—C45B120.6 (4)
C1—C2—H2C109.5C41B—C46B—H46B119.7
H2A—C2—H2C109.5C45B—C46B—H46B119.7
H2B—C2—H2C109.5C56A—C51A—C52A118.4 (4)
C1—C3—P2115.2 (3)C56A—C51A—P5123.2 (3)
C1—C3—H3A108.5C52A—C51A—P5118.4 (3)
P2—C3—H3A108.5C52B—C51B—C56B119.2 (4)
C1—C3—H3B108.5C52B—C51B—P5122.6 (3)
P2—C3—H3B108.5C56B—C51B—P5118.2 (4)
H3A—C3—H3B107.5C53A—C52A—C51A121.3 (4)
C1—C4—P3114.2 (3)C53A—C52A—H52A119.4
C1—C4—H4A108.7C51A—C52A—H52A119.4
P3—C4—H4A108.7C51B—C52B—C53B119.1 (5)
C1—C4—H4B108.7C51B—C52B—H52B120.4
P3—C4—H4B108.7C53B—C52B—H52B120.4
H4A—C4—H4B107.6C52A—C53A—C54A120.4 (5)
C1—C5—P1115.2 (2)C52A—C53A—H53A119.8
C1—C5—H5A108.5C54A—C53A—H53A119.8
P1—C5—H5A108.5C54B—C53B—C52B120.9 (5)
C1—C5—H5B108.5C54B—C53B—H53B119.5
P1—C5—H5B108.5C52B—C53B—H53B119.5
H5A—C5—H5B107.5C55A—C54A—C53A119.6 (4)
C8—C6—C9112.6 (3)C55A—C54A—H54A120.2
C8—C6—C7111.7 (3)C53A—C54A—H54A120.2
C9—C6—C7111.5 (3)C55B—C54B—C53B120.2 (5)
C8—C6—C10107.4 (3)C55B—C54B—H54B119.9
C9—C6—C10106.3 (3)C53B—C54B—H54B119.9
C7—C6—C10107.0 (3)C54A—C55A—C56A121.9 (5)
C6—C7—P5117.3 (3)C54A—C55A—H55A119.1
C6—C7—H7A108.0C56A—C55A—H55A119.1
P5—C7—H7A108.0C54B—C55B—C56B120.7 (6)
C6—C7—H7B108.0C54B—C55B—H55B119.6
P5—C7—H7B108.0C56B—C55B—H55B119.6
H7A—C7—H7B107.2C51A—C56A—C55A118.3 (4)
C6—C8—P6117.7 (3)C51A—C56A—H56A120.8
C6—C8—H8A107.9C55A—C56A—H56A120.8
P6—C8—H8A107.9C55B—C56B—C51B119.8 (5)
C6—C8—H8B107.9C55B—C56B—H56B120.1
P6—C8—H8B107.9C51B—C56B—H56B120.1
H8A—C8—H8B107.2C62A—C61A—C66A118.7 (4)
C6—C9—P4117.5 (3)C62A—C61A—P6123.3 (3)
C6—C9—H9A107.9C66A—C61A—P6118.0 (3)
P4—C9—H9A107.9C62B—C61B—C66B117.9 (4)
C6—C9—H9B107.9C62B—C61B—P6119.0 (3)
P4—C9—H9B107.9C66B—C61B—P6122.9 (3)
H9A—C9—H9B107.2C61A—C62A—C63A118.8 (5)
C6—C10—H10A109.5C61A—C62A—H62A120.6
C6—C10—H10B109.5C63A—C62A—H62A120.6
H10A—C10—H10B109.5C63B—C62B—C61B121.1 (5)
C6—C10—H10C109.5C63B—C62B—H62B119.5
H10A—C10—H10C109.5C61B—C62B—H62B119.5
H10B—C10—H10C109.5C64A—C63A—C62A120.6 (5)
C16A—C11A—C12A118.7 (4)C64A—C63A—H63A119.7
C16A—C11A—P1125.1 (3)C62A—C63A—H63A119.7
C12A—C11A—P1116.1 (3)C62B—C63B—C64B120.4 (5)
C16B—C11B—C12B118.0 (4)C62B—C63B—H63B119.8
C16B—C11B—P1124.0 (3)C64B—C63B—H63B119.8
C12B—C11B—P1118.0 (3)C65A—C64A—C63A120.2 (5)
C13A—C12A—C11A120.6 (4)C65A—C64A—H64A119.9
C13A—C12A—H12A119.7C63A—C64A—H64A119.9
C11A—C12A—H12A119.7C63B—C64B—C65B120.0 (5)
C13B—C12B—C11B121.8 (4)C63B—C64B—H64B120.0
C13B—C12B—H12B119.1C65B—C64B—H64B120.0
C11B—C12B—H12B119.1C64A—C65A—C66A119.6 (5)
C12A—C13A—C14A119.8 (4)C64A—C65A—H65A120.2
C12A—C13A—H13A120.1C66A—C65A—H65A120.2
C14A—C13A—H13A120.1C64B—C65B—C66B119.6 (5)
C14B—C13B—C12B120.3 (4)C64B—C65B—H65B120.2
C14B—C13B—H13B119.8C66B—C65B—H65B120.2
C12B—C13B—H13B119.8C65A—C66A—C61A122.2 (5)
C15A—C14A—C13A119.7 (4)C65A—C66A—H66A118.9
C15A—C14A—H14A120.1C61A—C66A—H66A118.9
C13A—C14A—H14A120.1C65B—C66B—C61B121.0 (5)
C13B—C14B—C15B119.5 (4)C65B—C66B—H66B119.5
C13B—C14B—H14B120.2C61B—C66B—H66B119.5
C15B—C14B—H14B120.2
P1—Ru1—Ru2—P425.53 (5)Ru1—P1—C5—C126.6 (3)
P3—Ru1—Ru2—P4145.74 (5)C8—C6—C7—P556.3 (4)
P2—Ru1—Ru2—P492.27 (5)C9—C6—C7—P570.7 (4)
Cl3—Ru1—Ru2—P477.34 (5)C10—C6—C7—P5173.5 (3)
Cl2—Ru1—Ru2—P441.66 (5)C51B—P5—C7—C6145.2 (3)
Cl1—Ru1—Ru2—P4162.67 (5)C51A—P5—C7—C6113.5 (3)
P1—Ru1—Ru2—P694.99 (5)Ru2—P5—C7—C612.1 (4)
P3—Ru1—Ru2—P625.22 (5)C9—C6—C8—P657.4 (4)
P2—Ru1—Ru2—P6147.21 (5)C7—C6—C8—P669.0 (4)
Cl3—Ru1—Ru2—P643.18 (5)C10—C6—C8—P6174.1 (3)
Cl2—Ru1—Ru2—P6162.18 (5)C61B—P6—C8—C6115.0 (3)
Cl1—Ru1—Ru2—P676.81 (5)C61A—P6—C8—C6142.1 (3)
P1—Ru1—Ru2—P5146.17 (5)Ru2—P6—C8—C69.3 (3)
P3—Ru1—Ru2—P593.62 (5)C8—C6—C9—P469.2 (4)
P2—Ru1—Ru2—P528.37 (5)C7—C6—C9—P457.3 (4)
Cl3—Ru1—Ru2—P5162.02 (5)C10—C6—C9—P4173.5 (3)
Cl2—Ru1—Ru2—P578.98 (5)C41A—P4—C9—C6143.6 (3)
Cl1—Ru1—Ru2—P542.03 (5)C41B—P4—C9—C6114.6 (3)
P1—Ru1—Ru2—Cl1171.80 (5)Ru2—P4—C9—C610.5 (4)
P3—Ru1—Ru2—Cl151.59 (5)C5—P1—C11A—C16A13.4 (4)
P2—Ru1—Ru2—Cl170.40 (5)C11B—P1—C11A—C16A118.3 (4)
Cl3—Ru1—Ru2—Cl1119.99 (5)Ru1—P1—C11A—C16A114.1 (3)
Cl2—Ru1—Ru2—Cl1121.01 (5)C5—P1—C11A—C12A165.8 (3)
P1—Ru1—Ru2—Cl267.19 (5)C11B—P1—C11A—C12A60.9 (3)
P3—Ru1—Ru2—Cl2172.60 (5)Ru1—P1—C11A—C12A66.7 (3)
P2—Ru1—Ru2—Cl250.61 (5)C11A—P1—C11B—C16B134.9 (4)
Cl3—Ru1—Ru2—Cl2119.00 (5)C5—P1—C11B—C16B117.2 (4)
Cl1—Ru1—Ru2—Cl2121.01 (5)Ru1—P1—C11B—C16B9.4 (4)
P1—Ru1—Ru2—Cl351.80 (5)C11A—P1—C11B—C12B45.0 (4)
P3—Ru1—Ru2—Cl368.40 (5)C5—P1—C11B—C12B62.8 (4)
P2—Ru1—Ru2—Cl3169.61 (5)Ru1—P1—C11B—C12B170.6 (3)
Cl2—Ru1—Ru2—Cl3119.00 (5)C16A—C11A—C12A—C13A0.4 (6)
Cl1—Ru1—Ru2—Cl3119.99 (5)P1—C11A—C12A—C13A178.8 (3)
P1—Ru1—Cl1—Ru238.3 (2)C16B—C11B—C12B—C13B3.3 (7)
P3—Ru1—Cl1—Ru2141.07 (4)P1—C11B—C12B—C13B176.7 (4)
P2—Ru1—Cl1—Ru2131.32 (4)C11A—C12A—C13A—C14A1.4 (7)
Cl3—Ru1—Cl1—Ru240.13 (4)C11B—C12B—C13B—C14B1.8 (8)
Cl2—Ru1—Cl1—Ru239.48 (3)C12A—C13A—C14A—C15A1.6 (7)
P4—Ru2—Cl1—Ru165.14 (15)C12B—C13B—C14B—C15B1.4 (8)
P6—Ru2—Cl1—Ru1125.31 (4)C13A—C14A—C15A—C16A0.8 (7)
P5—Ru2—Cl1—Ru1147.67 (4)C13B—C14B—C15B—C16B3.1 (8)
Cl2—Ru2—Cl1—Ru139.21 (4)C14A—C15A—C16A—C11A0.3 (7)
Cl3—Ru2—Cl1—Ru139.63 (3)C12A—C11A—C16A—C15A0.5 (6)
P1—Ru1—Cl2—Ru2129.75 (3)P1—C11A—C16A—C15A179.6 (3)
P3—Ru1—Cl2—Ru243.1 (3)C12B—C11B—C16B—C15B1.5 (7)
P2—Ru1—Cl2—Ru2143.22 (3)P1—C11B—C16B—C15B178.5 (4)
Cl3—Ru1—Cl2—Ru240.69 (3)C14B—C15B—C16B—C11B1.6 (8)
Cl1—Ru1—Cl2—Ru239.43 (3)C21B—P2—C21A—C26A90.6 (4)
P4—Ru2—Cl2—Ru1147.31 (4)C3—P2—C21A—C26A163.5 (3)
P6—Ru2—Cl2—Ru167.11 (15)Ru1—P2—C21A—C26A36.7 (4)
P5—Ru2—Cl2—Ru1124.55 (4)C21B—P2—C21A—C22A85.6 (4)
Cl1—Ru2—Cl2—Ru139.39 (4)C3—P2—C21A—C22A20.3 (4)
Cl3—Ru2—Cl2—Ru140.22 (4)Ru1—P2—C21A—C22A147.1 (3)
P1—Ru1—Cl3—Ru2139.66 (4)C21A—P2—C21B—C26B69.9 (3)
P3—Ru1—Cl3—Ru2130.59 (4)C3—P2—C21B—C26B177.4 (3)
P2—Ru1—Cl3—Ru267.3 (3)Ru1—P2—C21B—C26B58.7 (3)
Cl2—Ru1—Cl3—Ru240.60 (4)C21A—P2—C21B—C22B106.4 (4)
Cl1—Ru1—Cl3—Ru240.00 (4)C3—P2—C21B—C22B1.1 (4)
P4—Ru2—Cl3—Ru1124.43 (4)Ru1—P2—C21B—C22B125.0 (3)
P6—Ru2—Cl3—Ru1146.53 (4)C26A—C21A—C22A—C23A2.9 (7)
P5—Ru2—Cl3—Ru168.69 (15)P2—C21A—C22A—C23A179.1 (4)
Cl1—Ru2—Cl3—Ru140.00 (3)C26B—C21B—C22B—C23B4.1 (6)
Cl2—Ru2—Cl3—Ru140.42 (3)P2—C21B—C22B—C23B179.6 (3)
P3—Ru1—P1—C11A176.72 (15)C21A—C22A—C23A—C24A0.8 (8)
P2—Ru1—P1—C11A89.73 (15)C21B—C22B—C23B—C24B0.5 (7)
Cl3—Ru1—P1—C11A81.99 (15)C22A—C23A—C24A—C25A2.3 (9)
Cl2—Ru1—P1—C11A4.36 (15)C22B—C23B—C24B—C25B2.3 (8)
Cl1—Ru1—P1—C11A80.2 (3)C23A—C24A—C25A—C26A3.1 (8)
Ru2—Ru1—P1—C11A47.08 (15)C23B—C24B—C25B—C26B1.4 (7)
P3—Ru1—P1—C553.92 (15)C22A—C21A—C26A—C25A2.1 (7)
P2—Ru1—P1—C533.08 (15)P2—C21A—C26A—C25A178.4 (4)
Cl3—Ru1—P1—C5155.21 (15)C24A—C25A—C26A—C21A0.9 (8)
Cl2—Ru1—P1—C5127.16 (15)C22B—C21B—C26B—C25B4.9 (6)
Cl1—Ru1—P1—C5157.0 (2)P2—C21B—C26B—C25B178.6 (3)
Ru2—Ru1—P1—C5169.89 (14)C24B—C25B—C26B—C21B2.3 (7)
P3—Ru1—P1—C11B66.51 (15)C4—P3—C31A—C36A175.3 (3)
P2—Ru1—P1—C11B153.50 (15)C31B—P3—C31A—C36A80.1 (4)
Cl3—Ru1—P1—C11B34.78 (15)Ru1—P3—C31A—C36A48.0 (4)
Cl2—Ru1—P1—C11B112.41 (15)C4—P3—C31A—C32A11.3 (4)
Cl1—Ru1—P1—C11B36.5 (3)C31B—P3—C31A—C32A93.3 (4)
Ru2—Ru1—P1—C11B69.69 (15)Ru1—P3—C31A—C32A138.6 (3)
P1—Ru1—P2—C21A175.35 (15)C31A—P3—C31B—C36B61.2 (4)
P3—Ru1—P2—C21A94.91 (15)C4—P3—C31B—C36B45.0 (4)
Cl3—Ru1—P2—C21A102.7 (3)Ru1—P3—C31B—C36B169.3 (3)
Cl2—Ru1—P2—C21A76.53 (15)C31A—P3—C31B—C32B117.8 (4)
Cl1—Ru1—P2—C21A2.70 (15)C4—P3—C31B—C32B136.0 (4)
Ru2—Ru1—P2—C21A42.23 (16)Ru1—P3—C31B—C32B11.7 (4)
P1—Ru1—P2—C21B57.87 (15)C36A—C31A—C32A—C33A0.9 (6)
P3—Ru1—P2—C21B147.62 (15)P3—C31A—C32A—C33A172.5 (3)
Cl3—Ru1—P2—C21B14.8 (3)C36B—C31B—C32B—C33B0.3 (6)
Cl2—Ru1—P2—C21B40.94 (15)P3—C31B—C32B—C33B178.8 (4)
Cl1—Ru1—P2—C21B120.17 (15)C31A—C32A—C33A—C34A1.3 (7)
Ru2—Ru1—P2—C21B75.24 (15)C31B—C32B—C33B—C34B0.8 (8)
P1—Ru1—P2—C361.29 (13)C32A—C33A—C34A—C35A0.9 (7)
P3—Ru1—P2—C328.45 (13)C32B—C33B—C34B—C35B1.4 (8)
Cl3—Ru1—P2—C3134.0 (3)C33A—C34A—C35A—C36A0.2 (8)
Cl2—Ru1—P2—C3160.11 (13)C33B—C34B—C35B—C36B1.5 (8)
Cl1—Ru1—P2—C3120.66 (13)C34A—C35A—C36A—C31A0.2 (8)
Ru2—Ru1—P2—C3165.59 (12)C32A—C31A—C36A—C35A0.2 (7)
P1—Ru1—P3—C31A97.72 (14)P3—C31A—C36A—C35A173.5 (4)
P2—Ru1—P3—C31A175.91 (14)C34B—C35B—C36B—C31B1.1 (8)
Cl3—Ru1—P3—C31A6.75 (15)C32B—C31B—C36B—C35B0.4 (7)
Cl2—Ru1—P3—C31A75.2 (3)P3—C31B—C36B—C35B178.7 (4)
Cl1—Ru1—P3—C31A71.63 (15)C41B—P4—C41A—C42A129.2 (4)
Ru2—Ru1—P3—C31A36.90 (15)C9—P4—C41A—C42A125.0 (4)
P1—Ru1—P3—C425.44 (14)Ru2—P4—C41A—C42A3.4 (4)
P2—Ru1—P3—C460.92 (14)C41B—P4—C41A—C46A51.0 (4)
Cl3—Ru1—P3—C4116.41 (14)C9—P4—C41A—C46A54.8 (4)
Cl2—Ru1—P3—C4161.6 (3)Ru2—P4—C41A—C46A176.8 (3)
Cl1—Ru1—P3—C4165.21 (14)C41A—P4—C41B—C46B135.2 (4)
Ru2—Ru1—P3—C4160.06 (14)C9—P4—C41B—C46B32.1 (4)
P1—Ru1—P3—C31B144.25 (14)Ru2—P4—C41B—C46B93.5 (4)
P2—Ru1—P3—C31B57.89 (14)C41A—P4—C41B—C42B45.7 (4)
Cl3—Ru1—P3—C31B124.78 (14)C9—P4—C41B—C42B148.7 (3)
Cl2—Ru1—P3—C31B42.8 (3)Ru2—P4—C41B—C42B85.6 (3)
Cl1—Ru1—P3—C31B46.40 (14)C46A—C41A—C42A—C43A0.2 (6)
Ru2—Ru1—P3—C31B81.13 (14)P4—C41A—C42A—C43A179.6 (3)
P6—Ru2—P4—C41A83.43 (15)C46B—C41B—C42B—C43B1.4 (7)
P5—Ru2—P4—C41A170.81 (15)P4—C41B—C42B—C43B177.7 (4)
Cl1—Ru2—P4—C41A106.6 (2)C41A—C42A—C43A—C44A0.3 (7)
Cl2—Ru2—P4—C41A81.28 (15)C41B—C42B—C43B—C44B0.2 (8)
Cl3—Ru2—P4—C41A5.75 (16)C42A—C43A—C44A—C45A0.7 (8)
Ru1—Ru2—P4—C41A52.61 (16)C42B—C43B—C44B—C45B1.3 (8)
P6—Ru2—P4—C41B157.94 (15)C43A—C44A—C45A—C46A0.6 (8)
P5—Ru2—P4—C41B70.56 (15)C43B—C44B—C45B—C46B1.5 (8)
Cl1—Ru2—P4—C41B12.0 (2)C44A—C45A—C46A—C41A0.2 (8)
Cl2—Ru2—P4—C41B37.35 (15)C42A—C41A—C46A—C45A0.2 (7)
Cl3—Ru2—P4—C41B112.88 (15)P4—C41A—C46A—C45A179.6 (4)
Ru1—Ru2—P4—C41B66.02 (15)C42B—C41B—C46B—C45B1.3 (6)
P6—Ru2—P4—C938.43 (15)P4—C41B—C46B—C45B177.9 (3)
P5—Ru2—P4—C948.95 (15)C44B—C45B—C46B—C41B0.2 (7)
Cl1—Ru2—P4—C9131.53 (19)C51B—P5—C51A—C56A130.2 (4)
Cl2—Ru2—P4—C9156.87 (15)C7—P5—C51A—C56A26.8 (4)
Cl3—Ru2—P4—C9127.60 (15)Ru2—P5—C51A—C56A99.2 (4)
Ru1—Ru2—P4—C9174.46 (14)C51B—P5—C51A—C52A52.5 (4)
P4—Ru2—P5—C51B83.87 (16)C7—P5—C51A—C52A155.9 (3)
P6—Ru2—P5—C51B173.17 (16)Ru2—P5—C51A—C52A78.2 (3)
Cl1—Ru2—P5—C51B80.80 (16)C51A—P5—C51B—C52B128.1 (4)
Cl2—Ru2—P5—C51B3.73 (17)C7—P5—C51B—C52B126.0 (4)
Cl3—Ru2—P5—C51B108.7 (2)Ru2—P5—C51B—C52B2.7 (4)
Ru1—Ru2—P5—C51B51.79 (17)C51A—P5—C51B—C56B52.6 (4)
P4—Ru2—P5—C51A158.37 (16)C7—P5—C51B—C56B53.3 (4)
P6—Ru2—P5—C51A69.08 (16)Ru2—P5—C51B—C56B178.1 (3)
Cl1—Ru2—P5—C51A36.96 (16)C56A—C51A—C52A—C53A1.3 (7)
Cl2—Ru2—P5—C51A114.02 (16)P5—C51A—C52A—C53A176.1 (4)
Cl3—Ru2—P5—C51A9.0 (2)C56B—C51B—C52B—C53B1.0 (7)
Ru1—Ru2—P5—C51A65.96 (16)P5—C51B—C52B—C53B178.2 (4)
P4—Ru2—P5—C738.39 (16)C51A—C52A—C53A—C54A0.2 (7)
P6—Ru2—P5—C750.90 (16)C51B—C52B—C53B—C54B0.9 (8)
Cl1—Ru2—P5—C7156.94 (16)C52A—C53A—C54A—C55A2.0 (8)
Cl2—Ru2—P5—C7125.99 (15)C52B—C53B—C54B—C55B0.7 (9)
Cl3—Ru2—P5—C7129.01 (19)C53A—C54A—C55A—C56A3.0 (8)
Ru1—Ru2—P5—C7174.06 (15)C53B—C54B—C55B—C56B2.2 (9)
P4—Ru2—P6—C61B71.35 (17)C52A—C51A—C56A—C55A0.4 (6)
P5—Ru2—P6—C61B160.20 (17)P5—C51A—C56A—C55A177.0 (3)
Cl1—Ru2—P6—C61B111.42 (17)C54A—C55A—C56A—C51A1.8 (7)
Cl2—Ru2—P6—C61B8.7 (2)C54B—C55B—C56B—C51B2.0 (9)
Cl3—Ru2—P6—C61B34.81 (17)C52B—C51B—C56B—C55B0.4 (7)
Ru1—Ru2—P6—C61B64.26 (17)P5—C51B—C56B—C55B179.6 (4)
P4—Ru2—P6—C61A171.01 (15)C61B—P6—C61A—C62A124.2 (4)
P5—Ru2—P6—C61A82.16 (15)C8—P6—C61A—C62A129.5 (4)
Cl1—Ru2—P6—C61A6.22 (15)Ru2—P6—C61A—C62A0.2 (4)
Cl2—Ru2—P6—C61A108.95 (19)C61B—P6—C61A—C66A55.2 (4)
Cl3—Ru2—P6—C61A82.83 (15)C8—P6—C61A—C66A51.2 (4)
Ru1—Ru2—P6—C61A53.38 (15)Ru2—P6—C61A—C66A179.6 (3)
P4—Ru2—P6—C847.83 (14)C61A—P6—C61B—C62B50.6 (3)
P5—Ru2—P6—C841.02 (14)C8—P6—C61B—C62B155.4 (3)
Cl1—Ru2—P6—C8129.40 (14)Ru2—P6—C61B—C62B79.1 (3)
Cl2—Ru2—P6—C8127.87 (19)C61A—P6—C61B—C66B134.0 (3)
Cl3—Ru2—P6—C8153.98 (14)C8—P6—C61B—C66B29.2 (4)
Ru1—Ru2—P6—C8176.57 (13)Ru2—P6—C61B—C66B96.3 (3)
C2—C1—C3—P2159.4 (3)C66A—C61A—C62A—C63A1.6 (6)
C4—C1—C3—P282.0 (3)P6—C61A—C62A—C63A177.8 (3)
C5—C1—C3—P242.0 (4)C66B—C61B—C62B—C63B0.3 (6)
C21A—P2—C3—C1164.3 (3)P6—C61B—C62B—C63B175.9 (3)
C21B—P2—C3—C193.8 (3)C61A—C62A—C63A—C64A0.6 (7)
Ru1—P2—C3—C133.3 (3)C61B—C62B—C63B—C64B0.7 (7)
C2—C1—C4—P3158.9 (3)C62A—C63A—C64A—C65A0.3 (8)
C5—C1—C4—P383.2 (3)C62B—C63B—C64B—C65B1.3 (7)
C3—C1—C4—P341.3 (4)C63A—C64A—C65A—C66A0.1 (8)
C31A—P3—C4—C1166.2 (3)C63B—C64B—C65B—C66B1.6 (7)
C31B—P3—C4—C192.9 (3)C64A—C65A—C66A—C61A1.0 (8)
Ru1—P3—C4—C134.7 (3)C62A—C61A—C66A—C65A1.8 (7)
C2—C1—C5—P1165.8 (3)P6—C61A—C66A—C65A177.5 (4)
C4—C1—C5—P147.1 (4)C64B—C65B—C66B—C61B1.2 (7)
C3—C1—C5—P177.0 (4)C62B—C61B—C66B—C65B0.6 (6)
C11A—P1—C5—C1154.8 (3)P6—C61B—C66B—C65B176.0 (3)
C11B—P1—C5—C1102.8 (3)

Experimental details

Crystal data
Chemical formula[Ru2Cl3(C41H39P3)2]PF6·C2H6O
Mr1748.79
Crystal system, space groupMonoclinic, Cc
Temperature (K)293
a, b, c (Å)13.069 (3), 25.602 (5), 22.991 (5)
β (°) 92.66 (3)
V3)7684 (3)
Z4
Radiation typeMo Kα
µ (mm1)0.71
Crystal size (mm)0.20 × 0.12 × 0.09
Data collection
DiffractometerStoe IPDS area-detector
diffractometer
Absorption correctionNumerical
(X-RED; Stoe & Cie, 1997)
Tmin, Tmax0.908, 0.959
No. of measured, independent and
observed [I > 2σ(I)] reflections
26982, 14149, 11740
Rint0.039
(sin θ/λ)max1)0.613
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.033, 0.057, 0.89
No. of reflections14149
No. of parameters933
No. of restraints3
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.39, 0.59
Absolute structureFlack (1983), with 6746 Friedel pairs
Absolute structure parameter0.725 (17)

Computer programs: IPDS (Stoe & Cie, 1997), IPDS, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), DIAMOND (Brandenburg, 1996).

Selected geometric parameters (Å, º) top
Ru1—P12.2469 (11)Ru2—P42.2617 (12)
Ru1—P32.2682 (12)Ru2—P62.2635 (11)
Ru1—P22.2719 (11)Ru2—P52.2657 (11)
Ru1—Cl32.4449 (12)Ru2—Cl12.4717 (12)
Ru1—Cl22.4553 (13)Ru2—Cl22.4738 (11)
Ru1—Cl12.4650 (12)Ru2—Cl32.4776 (12)
Ru1—Ru23.3997 (7)
P1—Ru1—P389.55 (4)P6—Ru2—P587.37 (4)
P1—Ru1—P286.35 (4)Cl1—Ru2—Cl277.96 (4)
P3—Ru1—P286.97 (4)Cl1—Ru2—Cl377.31 (4)
Cl3—Ru1—Cl277.62 (4)Cl2—Ru2—Cl376.67 (4)
Cl3—Ru1—Cl178.04 (4)Ru1—Cl1—Ru287.05 (4)
Cl2—Ru1—Cl178.44 (4)Ru1—Cl2—Ru287.21 (4)
P4—Ru2—P689.24 (4)Ru1—Cl3—Ru287.36 (4)
P4—Ru2—P588.82 (5)
 

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