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Acta Crystallogr Sect E Struct Rep Online. 2010 January 1; 66(Pt 1): m90–m91.
Published online 2009 December 24. doi:  10.1107/S1600536809053884
PMCID: PMC2980153

Bis{[μ-bis­(diphenyl­arsino)methane-1:2κ2 As:As′]nona­carbonyl-1κ3 C,2κ3 C,3κ3 C-[tris­(4-chloro­phen­yl)phosphine-3κP]-triangulo-triruthenium(0)} chloro­form monosolvate

Abstract

The asymmetric unit of the title triangulo-triruthenium compound, 2[Ru3(C25H22As2)(C18H12Cl3P)(CO)9]·CHCl3, consists of two mol­ecules (A and B) of the triangulo-triruthenium complex and one mol­ecule of chloro­form solvent. The bis­(diphenyl­arsino)methane ligand bridges an Ru—Ru bond and the monodentate phosphine ligand bonds to the third Ru atom. Both the phosphine and arsine ligands are equatorial with respect to the Ru3 triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three phosphine-substituted benzene rings make dihedral angles of 73.5 (3), 57.2 (3) and 75.7 (3)° with each other in mol­ecule A, while these angles are 60.7 (3), 86.8 (3) and 54.9 (3)° in mol­ecule B. The dihedral angles between the two benzene rings are 87.3 (3) and 89.6 (3)° for the two diphenyl­arsino groups in mol­ecule A and 85.6 (3) and 87.7 (3)° in mol­ecule B. In the crystal packing, the mol­ecules are linked into a three-dimensional framework via inter­molecular C—H(...)O and C—H(...)Cl hydrogen bonds. Weak inter­molecular C—H(...)π inter­actions furture stabilize the crystal structure. The crystal studied was an inversion twin, the refined ratio of twin components being 0.480 (7):0.520 (7).

Related literature

For general background to triangulo-triruthenium derivatives, see: Bruce et al. (1985 [triangle], 1988a [triangle],b [triangle]). For related structures, see: Shawkataly et al. (1998 [triangle], 2004 [triangle], 2009 [triangle]). For the synthesis of μ-bis­(diphenyl­arsino)methane­deca­carbonyl­triruthenium(0), see: Bruce et al. (1983 [triangle]). For stability of the temperature controller used for the data collection, see: Cosier & Glazer (1986 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-66-00m90-scheme1.jpg

Experimental

Crystal data

  • 2[Ru3(C25H22As2)(C18H12Cl3P)(CO)9]·CHCl3
  • M r = 2905.69
  • Orthorhombic, An external file that holds a picture, illustration, etc.
Object name is e-66-00m90-efi1.jpg
  • a = 15.4916 (6) Å
  • b = 32.0500 (11) Å
  • c = 21.1332 (8) Å
  • V = 10492.8 (7) Å3
  • Z = 4
  • Mo Kα radiation
  • μ = 2.42 mm−1
  • T = 100 K
  • 0.19 × 0.19 × 0.10 mm

Data collection

  • Bruker SMART APEXII CCD area-detector diffractometer
  • Absorption correction: multi-scan (SADABS; Bruker, 2005 [triangle]) T min = 0.654, T max = 0.790
  • 73964 measured reflections
  • 27898 independent reflections
  • 22534 reflections with I > 2σ(I)
  • R int = 0.052

Refinement

  • R[F 2 > 2σ(F 2)] = 0.043
  • wR(F 2) = 0.092
  • S = 1.03
  • 27898 reflections
  • 1298 parameters
  • 1 restraint
  • H-atom parameters constrained
  • Δρmax = 1.24 e Å−3
  • Δρmin = −0.77 e Å−3
  • Absolute structure: Flack (1983 [triangle]), 12139 Friedel pairs
  • Flack parameter: 0.480 (7)

Data collection: APEX2 (Bruker, 2005 [triangle]); cell refinement: SAINT (Bruker, 2005 [triangle]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009 [triangle]).

Table 1
Hydrogen-bond geometry (Å, °)

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809053884/sj2702sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809053884/sj2702Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Acknowledgments

The authors would like to thank the Malaysian Government and Universiti Sains Malaysia (USM) for the Research grant 1001/PJJAUH/811115. IAK is grateful to USM for a Postdoctoral Fellowship and to Gokhale Centenary College, Ankola, Karnataka, India, for postdoctoral study leave. HKF thanks USM for the Research University Golden Goose grant 1001/PFIZIK/811012. CSY thanks USM for the award of a USM Fellowship.

supplementary crystallographic information

Comment

Triangulo-triruthenium clusters are known for their interesting structural variations and related catalytic activity. A large number of substituted derivatives, Ru3(CO)12-nLn (L = group 15 ligand) have been reported (Bruce et al., 1985, 1988a,b). As part of our study on the substitution of transition metal-carbonyl clusters with mixed-ligand complexes, we have published several structures of triangulo-triruthenium-carbonyl clusters containing mixed P/As and P/Sb ligands (Shawkataly et al., 1998, 2004, 2009). Herein we report the synthesis and structure of title compound.

The asymmetry unit consists of two molecules of triangulo-triruthenium complex (A and B) and one molecule of chloroform solvent (Fig. 1). The bond lengths and angles of title compound are comparable to its related structure (Shawkataly et al., 2009). The bis(diphenylarsino)methane ligand bridges the Ru1—Ru2 bond and the monodentate phosphine ligand bonds to the Ru3 atom. Both the phosphine and arsine ligands are equatorial with respect to the Ru3 triangle. Additionally, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three phosphine-substituted benzene rings make dihedral angles (C26–C31/C32–C37, C26–C31/C38–C43 and C32–C37/C38–C43) of 73.5 (3), 57.2 (3) and 75.7 (3)° with each other in molecule A whereas these angles are 60.7 (3), 86.8 (3) and 54.9 (3)° in molecule B. The dihedral angles between the two benzene rings (C1–C6/C7–C12 and C14–C19/C20–C25) are 87.3 (3) and 89.6 (3)° for the two diphenylarsino groups in molecule A whereas these angles are 85.6 (3) and 87.7 (3)° in molecule B. In the crystal packing, the molecules are linked together into three-dimensional framework via intermolecular C5B—H5BA···O4B, C40B—H40B···O3A and C23B—H23B···Cl1B hydrogen bonds (Fig 2). Weak intermolecular C—H···π interactions furture stabilize the crystal structure (Table 1).

Experimental

All manipulations were performed under a dry oxygen-free dinitrogen atmosphere using standard Schlenk techniques, all solvents were dried over sodium and distilled from sodium benzophenone ketyl under nitrogen. Tris(4-chlorophenyl)diphenylphosphine (Maybridge) was used as received and bis(diphenylarsino)methanedecacarbonyltriruthenium(0) (Bruce et al., 1983) was prepared by a reported procedure. The title compound was obtained by refluxing equimolar quantities of Ru3(CO)10(µ-Ph2AsCH2AsPh2) (105.5 mg, 0.1 mmol) and tris(4-chlorophenyl)phosphine (36.56 mg, 0.1 mmol) in hexane under a nitrogen atmosphere. Crystals suitable for X-ray diffraction were grown by slow solvent / solvent diffusion of C6H14 into CH2Cl2.

Refinement

All hydrogen atoms were positioned geometrically and refined using a riding model with C—H = 0.93–0.97 Å and Uiso(H) = 1.2 Ueq(C). The crystal studied is an inversion twin with the refined ratio of twin components being 0.480 (7):0.520 (7).

Figures

Fig. 1.
The molecular structure of the title compound with 50% probability ellipsoids for non-H atoms.
Fig. 2.
The crystal packing of the title compound, viewed down the a axis, showing the molecules linked into 3-D framework. Hydrogen atoms that not involved in the hydrogen-bonding (dashed lines) and the solvent molecules have been omitted for clarity.

Crystal data

2[Ru3(C25H22As2)(C18H12Cl3P)(CO)9]·CHCl3F(000) = 5688
Mr = 2905.69Dx = 1.839 Mg m3
Orthorhombic, Pca21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2c -2acCell parameters from 9880 reflections
a = 15.4916 (6) Åθ = 2.4–28.9°
b = 32.0500 (11) ŵ = 2.42 mm1
c = 21.1332 (8) ÅT = 100 K
V = 10492.8 (7) Å3Block, red
Z = 40.19 × 0.19 × 0.10 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer27898 independent reflections
Radiation source: fine-focus sealed tube22534 reflections with I > 2σ(I)
graphiteRint = 0.052
[var phi] and ω scansθmax = 30.1°, θmin = 1.8°
Absorption correction: multi-scan (SADABS; Bruker, 2005)h = −21→21
Tmin = 0.654, Tmax = 0.790k = −43→45
73964 measured reflectionsl = −25→29

Refinement

Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.043H-atom parameters constrained
wR(F2) = 0.092w = 1/[σ2(Fo2) + (0.040P)2 + 3.8533P] where P = (Fo2 + 2Fc2)/3
S = 1.03(Δ/σ)max = 0.001
27898 reflectionsΔρmax = 1.24 e Å3
1298 parametersΔρmin = −0.77 e Å3
1 restraintAbsolute structure: Flack (1983), 12139 Friedel pairs
Primary atom site location: structure-invariant direct methodsFlack parameter: 0.480 (7)

Special details

Experimental. The crystal was placed in the cold stream of an Oxford Cyrosystems Cobra open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K.
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)

xyzUiso*/Ueq
Ru1A0.71961 (3)0.902795 (13)0.74015 (2)0.01573 (9)
Ru2A0.76030 (3)0.889859 (13)0.87170 (2)0.01597 (9)
Ru3A0.66115 (3)0.829574 (13)0.80543 (2)0.01663 (9)
As1A0.79716 (3)0.968408 (16)0.73567 (3)0.01486 (11)
As2A0.86050 (3)0.947998 (17)0.87988 (3)0.01465 (11)
Cl1A0.43461 (12)0.65412 (5)0.93450 (8)0.0421 (4)
Cl2A0.25032 (11)0.84215 (5)0.58560 (9)0.0397 (4)
Cl3A0.79590 (12)0.69040 (5)0.52357 (8)0.0402 (4)
P1A0.58346 (9)0.78529 (4)0.73821 (7)0.0184 (3)
O1A0.5473 (3)0.94607 (14)0.7690 (2)0.0298 (10)
O2A0.6491 (3)0.88986 (16)0.6077 (2)0.0400 (12)
O3A0.8980 (3)0.86474 (16)0.7167 (3)0.0479 (14)
O4A0.9222 (3)0.83606 (14)0.8517 (2)0.0382 (12)
O5A0.7450 (4)0.85500 (17)1.0054 (2)0.0487 (14)
O6A0.6039 (3)0.94517 (15)0.9014 (2)0.0343 (11)
O7A0.4926 (3)0.87316 (13)0.8457 (2)0.0269 (9)
O8A0.6578 (3)0.77439 (13)0.9213 (2)0.0321 (10)
O9A0.8254 (3)0.78334 (13)0.7642 (2)0.0339 (10)
C1A0.8675 (4)0.98065 (18)0.6608 (3)0.0190 (12)
C2A0.9114 (4)1.01815 (18)0.6577 (3)0.0210 (12)
H2AA0.90631.03760.69010.025*
C3A0.9635 (4)1.0265 (2)0.6054 (3)0.0269 (14)
H3AA0.99331.05170.60310.032*
C4A0.9709 (4)0.99839 (19)0.5582 (3)0.0286 (14)
H4AA1.00491.00460.52320.034*
C5A0.9286 (4)0.96040 (19)0.5614 (3)0.0254 (13)
H5AA0.93530.94090.52910.030*
C6A0.8760 (4)0.95147 (19)0.6130 (3)0.0223 (12)
H6AA0.84680.92610.61530.027*
C7A0.7301 (3)1.01969 (17)0.7408 (3)0.0180 (11)
C8A0.7528 (4)1.05358 (18)0.7793 (3)0.0270 (13)
H8AA0.80051.05200.80590.032*
C9A0.7030 (5)1.0894 (2)0.7769 (3)0.0368 (17)
H9AA0.71821.11200.80200.044*
C10A0.6322 (5)1.0923 (2)0.7386 (4)0.0391 (17)
H10A0.59991.11670.73780.047*
C11A0.6084 (4)1.05847 (19)0.7008 (3)0.0285 (14)
H11A0.56011.06010.67480.034*
C12A0.6583 (4)1.02217 (19)0.7026 (3)0.0241 (13)
H12A0.64280.99940.67770.029*
C13A0.8905 (4)0.97306 (17)0.7977 (3)0.0189 (11)
H13A0.90421.00230.80390.023*
H13B0.94160.95940.78110.023*
C14A0.8387 (4)0.99512 (17)0.9355 (3)0.0194 (12)
C15A0.7887 (4)0.98787 (18)0.9887 (3)0.0218 (12)
H15A0.75990.96260.99360.026*
C16A0.7821 (4)1.0185 (2)1.0343 (3)0.0294 (14)
H16A0.74891.01371.07020.035*
C17A0.8239 (4)1.0565 (2)1.0274 (3)0.0292 (14)
H17A0.81961.07681.05860.035*
C18A0.8718 (4)1.06361 (19)0.9739 (3)0.0266 (14)
H18A0.89901.08920.96860.032*
C19A0.8803 (4)1.03319 (18)0.9274 (3)0.0223 (12)
H19A0.91341.03820.89140.027*
C20A0.9736 (3)0.93291 (17)0.9125 (3)0.0187 (11)
C21A0.9755 (4)0.90174 (17)0.9605 (3)0.0247 (13)
H21A0.92470.88940.97460.030*
C22A1.0539 (4)0.8904 (2)0.9856 (3)0.0358 (16)
H22A1.05530.87011.01700.043*
C23A1.1295 (4)0.9077 (2)0.9661 (3)0.0361 (16)
H23A1.18180.89870.98290.043*
C24A1.1274 (4)0.9389 (2)0.9212 (4)0.0417 (19)
H24A1.17850.95180.90900.050*
C25A1.0485 (4)0.9515 (2)0.8937 (3)0.0284 (14)
H25A1.04760.97230.86300.034*
C26A0.5353 (4)0.74395 (16)0.7869 (2)0.0194 (11)
C27A0.5848 (4)0.71001 (17)0.8077 (3)0.0274 (13)
H27A0.63970.70610.79090.033*
C28A0.5546 (4)0.68241 (18)0.8520 (3)0.0285 (13)
H28A0.58800.65980.86450.034*
C29A0.4731 (4)0.68876 (18)0.8778 (3)0.0257 (12)
C30A0.4237 (4)0.72151 (19)0.8587 (3)0.0288 (13)
H30A0.36880.72530.87560.035*
C31A0.4554 (4)0.74938 (18)0.8139 (3)0.0273 (13)
H31A0.42180.77210.80200.033*
C32A0.4898 (3)0.80376 (16)0.6923 (2)0.0188 (11)
C33A0.4661 (4)0.84513 (16)0.6901 (3)0.0224 (12)
H33A0.49990.86490.71060.027*
C34A0.3927 (5)0.8577 (2)0.6579 (3)0.0338 (15)
H34A0.37570.88560.65810.041*
C35A0.3450 (4)0.82813 (18)0.6256 (3)0.0268 (13)
C36A0.3686 (4)0.78665 (16)0.6257 (3)0.0225 (12)
H36A0.33600.76710.60360.027*
C37A0.4406 (3)0.77448 (16)0.6586 (3)0.0223 (12)
H37A0.45690.74660.65870.027*
C38A0.6430 (4)0.75671 (16)0.6761 (3)0.0190 (11)
C39A0.6216 (4)0.71621 (16)0.6575 (3)0.0233 (12)
H39A0.57660.70230.67760.028*
C40A0.6665 (4)0.69638 (17)0.6094 (3)0.0259 (13)
H40A0.65090.66960.59680.031*
C41A0.7348 (4)0.71658 (17)0.5801 (3)0.0279 (13)
C42A0.7567 (4)0.75708 (18)0.5968 (3)0.0294 (13)
H42A0.80170.77080.57640.035*
C43A0.7105 (4)0.77692 (16)0.6446 (3)0.0245 (12)
H43A0.72480.80410.65590.029*
C44A0.6112 (3)0.92893 (17)0.7615 (3)0.0169 (11)
C45A0.6775 (4)0.89446 (19)0.6566 (3)0.0258 (13)
C46A0.8294 (4)0.87641 (19)0.7277 (3)0.0268 (14)
C47A0.8602 (4)0.85520 (19)0.8551 (3)0.0264 (14)
C48A0.7537 (4)0.86776 (18)0.9554 (3)0.0244 (13)
C49A0.6608 (4)0.92373 (19)0.8869 (3)0.0225 (12)
C50A0.5572 (4)0.85929 (17)0.8307 (3)0.0209 (12)
C51A0.6575 (3)0.79496 (17)0.8782 (3)0.0224 (12)
C52A0.7664 (4)0.80307 (18)0.7795 (3)0.0240 (13)
Ru1B0.76562 (3)0.404684 (13)0.21133 (2)0.01615 (9)
Ru2B0.71762 (3)0.390935 (14)0.08150 (2)0.01571 (9)
Ru3B0.82420 (3)0.331820 (13)0.14264 (2)0.01630 (9)
As1B0.69289 (3)0.471718 (17)0.21422 (3)0.01617 (11)
As2B0.61823 (3)0.448989 (17)0.07413 (3)0.01516 (11)
Cl1B1.23194 (11)0.36598 (7)0.33938 (9)0.0486 (5)
Cl2B0.70877 (12)0.17846 (6)0.39212 (9)0.0480 (5)
Cl3B1.03218 (12)0.15085 (5)−0.00982 (8)0.0367 (4)
P1B0.91864 (9)0.28571 (5)0.19197 (7)0.0193 (3)
O1B0.5867 (3)0.37206 (15)0.2505 (2)0.0379 (12)
O2B0.8387 (3)0.40260 (16)0.3447 (2)0.0404 (12)
O3B0.9418 (3)0.44198 (13)0.1757 (2)0.0288 (10)
O4B0.8718 (3)0.44566 (15)0.0440 (2)0.0350 (11)
O5B0.7101 (3)0.35180 (16)−0.0490 (2)0.0439 (13)
O6B0.5676 (3)0.33425 (13)0.1214 (2)0.0340 (11)
O7B0.6812 (3)0.29361 (12)0.2249 (2)0.0312 (10)
O8B0.7804 (3)0.27596 (12)0.0315 (2)0.0344 (10)
O9B0.9868 (3)0.37323 (13)0.0875 (2)0.0298 (10)
C1B0.6292 (3)0.48489 (19)0.2911 (3)0.0202 (12)
C2B0.5829 (4)0.52199 (19)0.2950 (3)0.0287 (14)
H2BA0.58410.54090.26160.034*
C3B0.5350 (5)0.5308 (2)0.3490 (3)0.0315 (15)
H3BA0.50310.55530.35140.038*
C4B0.5346 (4)0.5034 (2)0.3989 (3)0.0322 (16)
H4BA0.50310.50950.43520.039*
C5B0.5810 (4)0.4665 (2)0.3954 (3)0.0269 (14)
H5BA0.58080.44810.42940.032*
C6B0.6275 (4)0.4571 (2)0.3414 (3)0.0245 (13)
H6BA0.65770.43210.33890.029*
C7B0.7590 (4)0.52269 (18)0.2058 (3)0.0219 (12)
C8B0.7296 (4)0.55764 (19)0.1754 (3)0.0303 (15)
H8BA0.67700.55660.15430.036*
C9B0.7772 (5)0.5950 (2)0.1753 (4)0.0412 (18)
H9BA0.75740.61840.15370.049*
C10B0.8549 (5)0.5958 (2)0.2083 (4)0.0389 (17)
H10B0.88680.62040.20960.047*
C11B0.8848 (4)0.5614 (2)0.2388 (3)0.0360 (16)
H11B0.93710.56260.26030.043*
C12B0.8379 (4)0.52451 (19)0.2380 (3)0.0259 (13)
H12B0.85880.50100.25890.031*
C13B0.5951 (3)0.47638 (18)0.1548 (2)0.0184 (11)
H13C0.54420.46400.17380.022*
H13D0.58280.50560.14720.022*
C14B0.5029 (4)0.43323 (18)0.0468 (3)0.0202 (12)
C15B0.4308 (4)0.4566 (2)0.0619 (3)0.0253 (13)
H15B0.43620.47980.08800.030*
C16B0.3502 (4)0.4457 (2)0.0382 (3)0.0330 (15)
H16B0.30260.46250.04680.040*
C17B0.3405 (4)0.4113 (2)0.0032 (3)0.0357 (16)
H17B0.28580.4037−0.01070.043*
C18B0.4118 (4)0.3865 (2)−0.0129 (3)0.0319 (14)
H18B0.40500.3626−0.03730.038*
C19B0.4932 (4)0.39849 (18)0.0085 (3)0.0253 (13)
H19B0.54150.3830−0.00300.030*
C20B0.6397 (3)0.49514 (18)0.0165 (3)0.0176 (11)
C21B0.6873 (4)0.48708 (19)−0.0379 (3)0.0232 (12)
H21B0.71450.4615−0.04340.028*
C22B0.6938 (4)0.5183 (2)−0.0849 (3)0.0300 (14)
H22B0.72630.5136−0.12120.036*
C23B0.6513 (4)0.55585 (19)−0.0764 (3)0.0279 (14)
H23B0.65280.5758−0.10840.034*
C24B0.6069 (4)0.56427 (19)−0.0217 (3)0.0254 (13)
H24B0.58230.5904−0.01560.030*
C25B0.5986 (4)0.53407 (17)0.0241 (3)0.0225 (12)
H25B0.56600.53930.06020.027*
C26B1.0114 (4)0.30885 (16)0.2309 (3)0.0222 (12)
C27B1.0950 (4)0.29864 (18)0.2171 (3)0.0269 (12)
H27B1.10590.27890.18580.032*
C28B1.1641 (4)0.31693 (19)0.2486 (3)0.0335 (14)
H28B1.22060.31000.23820.040*
C29B1.1470 (4)0.3453 (2)0.2951 (3)0.0304 (14)
C30B1.0650 (4)0.35748 (19)0.3093 (3)0.0332 (15)
H30B1.05480.37760.34020.040*
C31B0.9973 (4)0.3392 (2)0.2768 (3)0.0352 (16)
H31B0.94110.34750.28580.042*
C32B0.8686 (4)0.25350 (18)0.2524 (3)0.0239 (13)
C33B0.8762 (5)0.2596 (2)0.3172 (3)0.0425 (18)
H33B0.91370.27990.33250.051*
C34B0.8283 (5)0.2357 (3)0.3597 (3)0.049 (2)
H34B0.83550.23970.40300.059*
C35B0.7712 (4)0.2068 (2)0.3386 (3)0.0373 (16)
C36B0.7611 (4)0.19962 (18)0.2742 (3)0.0298 (13)
H36B0.72230.17970.25970.036*
C37B0.8098 (4)0.22274 (17)0.2322 (3)0.0286 (13)
H37B0.80350.21790.18910.034*
C38B0.9646 (4)0.24721 (17)0.1374 (3)0.0208 (11)
C39B0.9812 (4)0.20657 (19)0.1534 (3)0.0331 (14)
H39B0.97760.19880.19570.040*
C40B1.0030 (4)0.17686 (19)0.1093 (3)0.0329 (15)
H40B1.01250.14940.12150.039*
C41B1.0105 (4)0.18817 (18)0.0477 (3)0.0273 (14)
C42B1.0025 (4)0.22937 (18)0.0293 (3)0.0300 (13)
H42B1.01310.2371−0.01240.036*
C43B0.9788 (4)0.25862 (17)0.0732 (3)0.0260 (12)
H43B0.97190.28630.06090.031*
C44B0.6542 (4)0.38193 (18)0.2335 (3)0.0244 (12)
C45B0.8092 (4)0.40198 (19)0.2940 (3)0.0270 (13)
C46B0.8754 (4)0.42610 (18)0.1845 (3)0.0209 (12)
C47B0.8165 (4)0.42541 (19)0.0607 (3)0.0241 (13)
C48B0.7119 (4)0.3673 (2)0.0001 (3)0.0288 (14)
C49B0.6249 (4)0.35482 (18)0.1088 (3)0.0210 (12)
C50B0.7320 (4)0.31035 (18)0.1952 (3)0.0227 (12)
C51B0.7993 (4)0.29710 (17)0.0731 (3)0.0247 (12)
C52B0.9240 (4)0.35981 (18)0.1074 (3)0.0217 (12)
Cl40.92574 (16)0.79197 (6)1.01220 (10)0.0600 (6)
Cl50.87858 (17)0.73493 (7)0.91326 (12)0.0761 (8)
Cl61.03351 (14)0.72054 (7)0.98448 (11)0.0591 (6)
C530.9641 (5)0.7592 (2)0.9540 (3)0.0466 (19)
H53A0.99680.77600.92360.056*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Ru1A0.0220 (2)0.0141 (2)0.0111 (2)−0.00134 (15)−0.00042 (17)0.00084 (18)
Ru2A0.0187 (2)0.0162 (2)0.0130 (2)−0.00366 (16)−0.00208 (17)0.00232 (17)
Ru3A0.0217 (2)0.0133 (2)0.0148 (2)−0.00346 (16)−0.00155 (17)0.00089 (18)
As1A0.0200 (3)0.0148 (3)0.0098 (3)−0.0013 (2)0.0006 (2)0.0013 (2)
As2A0.0175 (2)0.0157 (3)0.0107 (3)−0.0025 (2)−0.0010 (2)0.0005 (2)
Cl1A0.0538 (11)0.0366 (9)0.0359 (9)0.0005 (8)0.0132 (8)0.0160 (7)
Cl2A0.0397 (9)0.0349 (8)0.0445 (10)0.0019 (7)−0.0166 (8)0.0117 (7)
Cl3A0.0551 (11)0.0297 (8)0.0357 (9)0.0026 (7)0.0142 (8)−0.0075 (7)
P1A0.0237 (7)0.0138 (6)0.0178 (7)−0.0018 (5)−0.0041 (6)0.0004 (6)
O1A0.024 (2)0.035 (3)0.030 (2)0.0037 (19)−0.0022 (18)0.006 (2)
O2A0.052 (3)0.052 (3)0.016 (2)0.000 (2)−0.006 (2)−0.010 (2)
O3A0.048 (3)0.045 (3)0.051 (3)0.020 (2)0.023 (3)0.013 (3)
O4A0.035 (3)0.030 (2)0.050 (3)0.004 (2)−0.009 (2)−0.014 (2)
O5A0.054 (3)0.072 (4)0.021 (3)−0.024 (3)−0.007 (2)0.018 (2)
O6A0.031 (2)0.048 (3)0.023 (2)0.004 (2)−0.0027 (19)−0.012 (2)
O7A0.027 (2)0.026 (2)0.028 (2)0.0024 (17)0.0017 (18)0.0024 (18)
O8A0.040 (3)0.032 (2)0.024 (2)−0.0026 (19)−0.0049 (19)0.0146 (19)
O9A0.033 (2)0.028 (2)0.040 (3)0.0027 (19)−0.002 (2)−0.011 (2)
C1A0.025 (3)0.019 (3)0.013 (3)0.004 (2)0.005 (2)0.004 (2)
C2A0.031 (3)0.018 (3)0.014 (3)−0.004 (2)−0.003 (2)0.001 (2)
C3A0.034 (3)0.025 (3)0.021 (3)−0.001 (3)0.001 (3)0.010 (3)
C4A0.032 (3)0.030 (3)0.024 (3)0.001 (3)0.011 (3)0.009 (3)
C5A0.036 (3)0.027 (3)0.013 (3)0.011 (2)0.004 (2)−0.001 (2)
C6A0.026 (3)0.024 (3)0.017 (3)−0.001 (2)0.000 (2)0.004 (2)
C7A0.027 (3)0.011 (2)0.015 (3)0.0003 (19)0.009 (2)0.003 (2)
C8A0.029 (3)0.025 (3)0.027 (3)0.003 (3)−0.003 (3)−0.002 (3)
C9A0.061 (5)0.018 (3)0.031 (4)0.001 (3)−0.002 (3)−0.004 (3)
C10A0.052 (4)0.029 (4)0.036 (4)0.014 (3)0.004 (4)0.003 (3)
C11A0.030 (3)0.024 (3)0.031 (4)0.007 (2)−0.001 (3)0.006 (3)
C12A0.034 (3)0.021 (3)0.017 (3)0.001 (2)0.004 (2)0.004 (2)
C13A0.022 (3)0.021 (3)0.013 (3)−0.004 (2)−0.001 (2)0.002 (2)
C14A0.024 (3)0.016 (3)0.018 (3)−0.003 (2)−0.007 (2)0.002 (2)
C15A0.028 (3)0.024 (3)0.014 (3)0.000 (2)0.003 (2)−0.004 (2)
C16A0.029 (3)0.038 (4)0.021 (3)0.005 (3)−0.003 (3)−0.011 (3)
C17A0.034 (3)0.028 (3)0.025 (3)0.007 (3)−0.007 (3)−0.009 (3)
C18A0.035 (3)0.016 (3)0.029 (4)0.003 (2)−0.009 (3)−0.009 (3)
C19A0.023 (3)0.026 (3)0.017 (3)−0.003 (2)−0.001 (2)−0.002 (2)
C20A0.017 (3)0.020 (3)0.018 (3)−0.001 (2)−0.001 (2)−0.005 (2)
C21A0.026 (3)0.023 (3)0.025 (3)0.000 (2)−0.009 (2)0.002 (2)
C22A0.044 (4)0.026 (3)0.037 (4)−0.003 (3)−0.023 (3)0.001 (3)
C23A0.025 (3)0.049 (4)0.034 (4)0.007 (3)−0.010 (3)−0.003 (3)
C24A0.027 (3)0.062 (5)0.037 (4)−0.013 (3)−0.005 (3)−0.011 (4)
C25A0.028 (3)0.033 (3)0.025 (3)−0.004 (3)−0.004 (3)−0.002 (3)
C26A0.025 (3)0.018 (3)0.015 (3)−0.006 (2)−0.003 (2)−0.001 (2)
C27A0.027 (3)0.023 (3)0.032 (3)−0.002 (2)0.007 (3)0.006 (3)
C28A0.036 (3)0.024 (3)0.026 (3)0.000 (3)−0.001 (3)0.011 (2)
C29A0.032 (3)0.023 (3)0.022 (3)−0.004 (2)−0.001 (3)0.007 (2)
C30A0.026 (3)0.038 (3)0.022 (3)0.001 (3)0.004 (2)0.001 (3)
C31A0.035 (3)0.023 (3)0.024 (3)−0.001 (2)0.000 (3)0.003 (2)
C32A0.022 (3)0.020 (3)0.015 (3)0.002 (2)−0.002 (2)−0.001 (2)
C33A0.035 (3)0.015 (3)0.017 (3)−0.006 (2)−0.004 (2)−0.003 (2)
C34A0.045 (4)0.024 (3)0.033 (4)0.008 (3)−0.002 (3)0.007 (3)
C35A0.029 (3)0.026 (3)0.026 (3)0.001 (2)−0.006 (2)0.008 (2)
C36A0.025 (3)0.020 (3)0.022 (3)−0.002 (2)−0.005 (2)−0.004 (2)
C37A0.022 (3)0.015 (2)0.030 (3)−0.003 (2)−0.006 (2)−0.003 (2)
C38A0.025 (3)0.012 (2)0.020 (3)0.003 (2)−0.001 (2)0.000 (2)
C39A0.028 (3)0.018 (3)0.024 (3)−0.003 (2)−0.007 (2)0.000 (2)
C40A0.039 (3)0.014 (3)0.025 (3)0.002 (2)−0.004 (3)−0.006 (2)
C41A0.043 (4)0.021 (3)0.020 (3)0.002 (2)0.000 (3)−0.002 (2)
C42A0.033 (3)0.024 (3)0.030 (3)0.004 (3)0.006 (3)0.002 (2)
C43A0.038 (3)0.012 (2)0.023 (3)−0.002 (2)−0.003 (3)−0.002 (2)
C44A0.020 (3)0.020 (3)0.011 (3)−0.003 (2)−0.003 (2)0.003 (2)
C45A0.039 (3)0.019 (3)0.020 (3)0.002 (2)0.002 (3)−0.009 (2)
C46A0.032 (3)0.022 (3)0.026 (3)0.005 (2)0.007 (3)0.005 (2)
C47A0.026 (3)0.020 (3)0.033 (4)−0.002 (2)−0.008 (3)−0.001 (3)
C48A0.028 (3)0.028 (3)0.017 (3)−0.016 (3)−0.005 (2)0.003 (2)
C49A0.026 (3)0.029 (3)0.012 (3)−0.001 (2)−0.007 (2)−0.006 (2)
C50A0.032 (3)0.012 (3)0.019 (3)−0.001 (2)−0.004 (2)0.001 (2)
C51A0.025 (3)0.019 (3)0.023 (3)−0.002 (2)0.002 (2)0.004 (2)
C52A0.025 (3)0.024 (3)0.023 (3)−0.009 (2)−0.002 (2)−0.002 (2)
Ru1B0.0216 (2)0.0152 (2)0.0117 (2)0.00039 (16)0.00004 (17)0.00054 (18)
Ru2B0.0201 (2)0.0162 (2)0.0108 (2)0.00123 (16)0.00079 (16)0.00046 (17)
Ru3B0.0188 (2)0.0151 (2)0.0151 (2)0.00133 (16)0.00044 (17)0.00062 (18)
As1B0.0215 (3)0.0158 (3)0.0112 (3)−0.0002 (2)0.0019 (2)−0.0004 (2)
As2B0.0191 (3)0.0155 (3)0.0109 (3)0.0010 (2)0.0008 (2)0.0007 (2)
Cl1B0.0334 (9)0.0691 (12)0.0433 (10)−0.0160 (8)−0.0034 (8)−0.0224 (9)
Cl2B0.0498 (11)0.0529 (11)0.0411 (10)−0.0019 (8)0.0086 (8)0.0171 (8)
Cl3B0.0533 (10)0.0245 (8)0.0321 (9)−0.0027 (7)0.0119 (7)−0.0108 (6)
P1B0.0207 (7)0.0173 (7)0.0199 (7)0.0037 (5)−0.0028 (5)−0.0021 (6)
O1B0.037 (3)0.038 (3)0.039 (3)−0.008 (2)0.019 (2)−0.003 (2)
O2B0.051 (3)0.052 (3)0.018 (2)0.008 (2)−0.006 (2)0.002 (2)
O3B0.029 (2)0.028 (2)0.029 (2)−0.0019 (18)0.0006 (19)−0.0055 (19)
O4B0.032 (3)0.043 (3)0.029 (3)−0.006 (2)0.001 (2)0.024 (2)
O5B0.059 (3)0.057 (3)0.015 (2)0.020 (3)−0.009 (2)−0.018 (2)
O6B0.032 (2)0.030 (2)0.040 (3)−0.0105 (19)−0.014 (2)0.011 (2)
O7B0.032 (2)0.024 (2)0.038 (3)0.0009 (17)0.0086 (19)0.0082 (19)
O8B0.051 (3)0.026 (2)0.027 (2)−0.002 (2)−0.005 (2)−0.0023 (19)
O9B0.030 (2)0.026 (2)0.034 (3)−0.0025 (17)0.007 (2)0.0031 (19)
C1B0.021 (3)0.028 (3)0.012 (3)−0.002 (2)0.000 (2)−0.003 (2)
C2B0.036 (3)0.026 (3)0.025 (3)−0.001 (3)0.006 (3)−0.003 (3)
C3B0.046 (4)0.022 (3)0.026 (4)0.000 (3)0.011 (3)−0.006 (3)
C4B0.041 (4)0.038 (4)0.018 (3)−0.009 (3)0.010 (3)−0.012 (3)
C5B0.035 (3)0.035 (4)0.011 (3)−0.004 (3)0.002 (2)0.002 (2)
C6B0.035 (3)0.021 (3)0.018 (3)−0.004 (2)−0.003 (2)0.004 (2)
C7B0.025 (3)0.023 (3)0.018 (3)0.004 (2)0.004 (2)−0.003 (2)
C8B0.039 (4)0.019 (3)0.033 (4)−0.003 (3)0.004 (3)−0.005 (3)
C9B0.059 (5)0.025 (3)0.039 (4)−0.001 (3)0.014 (4)0.007 (3)
C10B0.055 (4)0.024 (3)0.038 (4)−0.016 (3)0.005 (4)−0.009 (3)
C11B0.031 (3)0.042 (4)0.035 (4)−0.007 (3)0.012 (3)−0.014 (3)
C12B0.033 (3)0.022 (3)0.023 (3)−0.002 (2)0.007 (3)−0.002 (3)
C13B0.022 (3)0.023 (3)0.010 (3)−0.002 (2)0.000 (2)0.001 (2)
C14B0.024 (3)0.022 (3)0.015 (3)−0.005 (2)−0.008 (2)0.009 (2)
C15B0.025 (3)0.036 (3)0.015 (3)0.006 (2)0.004 (2)0.006 (2)
C16B0.025 (3)0.040 (4)0.034 (4)0.009 (3)−0.003 (3)0.012 (3)
C17B0.030 (3)0.039 (4)0.039 (4)−0.005 (3)−0.008 (3)0.016 (3)
C18B0.036 (3)0.025 (3)0.035 (4)−0.007 (3)−0.011 (3)0.000 (3)
C19B0.032 (3)0.021 (3)0.023 (3)0.002 (2)−0.005 (2)0.000 (2)
C20B0.014 (2)0.027 (3)0.012 (3)−0.003 (2)−0.005 (2)0.001 (2)
C21B0.024 (3)0.030 (3)0.016 (3)0.000 (2)0.000 (2)0.000 (2)
C22B0.029 (3)0.042 (4)0.019 (3)0.001 (3)0.005 (3)0.005 (3)
C23B0.030 (3)0.025 (3)0.028 (3)−0.006 (3)−0.003 (3)0.009 (3)
C24B0.028 (3)0.018 (3)0.030 (3)0.000 (2)−0.001 (3)0.003 (3)
C25B0.022 (3)0.020 (3)0.025 (3)0.000 (2)−0.004 (2)0.000 (2)
C26B0.026 (3)0.015 (3)0.026 (3)0.005 (2)−0.006 (2)−0.002 (2)
C27B0.028 (3)0.030 (3)0.023 (3)0.001 (2)0.001 (2)−0.004 (3)
C28B0.028 (3)0.032 (3)0.041 (4)0.006 (3)−0.004 (3)−0.006 (3)
C29B0.030 (3)0.033 (3)0.028 (3)−0.012 (3)−0.003 (3)−0.004 (3)
C30B0.035 (4)0.025 (3)0.040 (4)0.005 (3)−0.012 (3)−0.013 (3)
C31B0.029 (3)0.044 (4)0.032 (4)0.014 (3)−0.011 (3)−0.012 (3)
C32B0.025 (3)0.026 (3)0.021 (3)0.008 (2)−0.002 (2)0.006 (2)
C33B0.048 (4)0.053 (4)0.027 (4)−0.018 (3)−0.012 (3)0.010 (3)
C34B0.048 (4)0.076 (5)0.023 (3)−0.024 (4)−0.001 (3)−0.001 (4)
C35B0.035 (4)0.036 (4)0.040 (4)0.005 (3)0.008 (3)0.025 (3)
C36B0.036 (3)0.022 (3)0.031 (3)0.001 (2)−0.007 (3)0.003 (3)
C37B0.040 (3)0.021 (3)0.025 (3)0.000 (2)−0.001 (3)0.002 (2)
C38B0.023 (3)0.020 (3)0.019 (3)0.000 (2)−0.002 (2)−0.005 (2)
C39B0.047 (4)0.029 (3)0.023 (3)0.009 (3)0.002 (3)0.003 (3)
C40B0.045 (4)0.020 (3)0.034 (4)0.006 (3)−0.003 (3)0.003 (3)
C41B0.023 (3)0.022 (3)0.037 (4)−0.003 (2)0.004 (3)−0.009 (3)
C42B0.033 (3)0.029 (3)0.029 (3)0.005 (3)0.005 (3)−0.004 (3)
C43B0.029 (3)0.018 (3)0.031 (3)0.004 (2)0.007 (3)−0.001 (2)
C44B0.032 (3)0.019 (3)0.022 (3)0.000 (2)0.003 (3)0.001 (2)
C45B0.036 (3)0.025 (3)0.020 (3)0.004 (3)0.001 (3)0.000 (2)
C46B0.024 (3)0.019 (3)0.020 (3)−0.001 (2)0.000 (2)−0.007 (2)
C47B0.031 (3)0.030 (3)0.012 (3)0.010 (3)0.000 (2)0.006 (2)
C48B0.029 (3)0.038 (4)0.019 (3)0.011 (3)−0.003 (2)0.001 (3)
C49B0.026 (3)0.016 (3)0.021 (3)0.000 (2)−0.007 (2)0.001 (2)
C50B0.027 (3)0.022 (3)0.019 (3)0.000 (2)0.000 (2)0.002 (2)
C51B0.029 (3)0.019 (3)0.026 (3)−0.003 (2)0.006 (3)−0.005 (2)
C52B0.026 (3)0.019 (3)0.021 (3)0.007 (2)0.000 (2)−0.002 (2)
Cl40.0835 (16)0.0451 (11)0.0513 (12)−0.0001 (10)0.0160 (11)−0.0001 (9)
Cl50.0886 (18)0.0534 (13)0.0864 (18)0.0000 (12)−0.0485 (14)−0.0014 (12)
Cl60.0542 (12)0.0547 (13)0.0685 (14)0.0109 (10)−0.0023 (10)0.0252 (11)
C530.051 (5)0.050 (5)0.038 (4)0.011 (4)0.005 (3)0.006 (4)

Geometric parameters (Å, °)

Ru1A—C45A1.902 (6)Ru1B—C44B1.931 (6)
Ru1A—C46A1.917 (6)Ru1B—As1B2.4267 (7)
Ru1A—C44A1.930 (6)Ru1B—Ru2B2.8766 (7)
Ru1A—As1A2.4238 (7)Ru1B—Ru3B2.8956 (6)
Ru1A—Ru3A2.8688 (6)Ru2B—C48B1.881 (6)
Ru1A—Ru2A2.8807 (6)Ru2B—C49B1.932 (6)
Ru2A—C48A1.908 (6)Ru2B—C47B1.939 (6)
Ru2A—C49A1.913 (6)Ru2B—As2B2.4201 (7)
Ru2A—C47A1.937 (6)Ru2B—Ru3B2.8259 (6)
Ru2A—As2A2.4313 (7)Ru3B—C51B1.884 (6)
Ru2A—Ru3A2.8380 (6)Ru3B—C50B1.936 (6)
Ru3A—C51A1.896 (6)Ru3B—C52B1.936 (6)
Ru3A—C52A1.918 (6)Ru3B—P1B2.3262 (15)
Ru3A—C50A1.946 (6)As1B—C7B1.936 (6)
Ru3A—P1A2.3412 (15)As1B—C1B1.948 (6)
As1A—C7A1.948 (5)As1B—C13B1.974 (5)
As1A—C13A1.957 (5)As2B—C14B1.945 (5)
As1A—C1A1.960 (5)As2B—C20B1.945 (6)
As2A—C14A1.943 (6)As2B—C13B1.950 (5)
As2A—C20A1.944 (5)Cl1B—C29B1.744 (6)
As2A—C13A1.970 (5)Cl2B—C35B1.743 (6)
Cl1A—C29A1.738 (6)Cl3B—C41B1.738 (6)
Cl2A—C35A1.752 (6)P1B—C26B1.814 (6)
Cl3A—C41A1.740 (6)P1B—C32B1.816 (6)
P1A—C26A1.836 (5)P1B—C38B1.832 (6)
P1A—C32A1.843 (5)O1B—C44B1.151 (7)
P1A—C38A1.848 (6)O2B—C45B1.164 (8)
O1A—C44A1.143 (7)O3B—C46B1.162 (7)
O2A—C45A1.133 (7)O4B—C47B1.132 (7)
O3A—C46A1.151 (7)O5B—C48B1.151 (7)
O4A—C47A1.142 (7)O6B—C49B1.138 (7)
O5A—C48A1.141 (7)O7B—C50B1.141 (7)
O6A—C49A1.159 (7)O8B—C51B1.148 (7)
O7A—C50A1.140 (7)O9B—C52B1.144 (7)
O8A—C51A1.125 (6)C1B—C6B1.388 (8)
O9A—C52A1.159 (7)C1B—C2B1.391 (8)
C1A—C2A1.383 (8)C2B—C3B1.391 (9)
C1A—C6A1.383 (8)C2B—H2BA0.9300
C2A—C3A1.393 (8)C3B—C4B1.373 (9)
C2A—H2AA0.9300C3B—H3BA0.9300
C3A—C4A1.350 (9)C4B—C5B1.384 (9)
C3A—H3AA0.9300C4B—H4BA0.9300
C4A—C5A1.385 (9)C5B—C6B1.383 (8)
C4A—H4AA0.9300C5B—H5BA0.9300
C5A—C6A1.391 (8)C6B—H6BA0.9300
C5A—H5AA0.9300C7B—C8B1.369 (9)
C6A—H6AA0.9300C7B—C12B1.401 (8)
C7A—C12A1.376 (8)C8B—C9B1.406 (9)
C7A—C8A1.402 (8)C8B—H8BA0.9300
C8A—C9A1.383 (9)C9B—C10B1.392 (11)
C8A—H8AA0.9300C9B—H9BA0.9300
C9A—C10A1.367 (10)C10B—C11B1.358 (10)
C9A—H9AA0.9300C10B—H10B0.9300
C10A—C11A1.396 (9)C11B—C12B1.389 (8)
C10A—H10A0.9300C11B—H11B0.9300
C11A—C12A1.397 (8)C12B—H12B0.9300
C11A—H11A0.9300C13B—H13C0.9700
C12A—H12A0.9300C13B—H13D0.9700
C13A—H13A0.9700C14B—C15B1.382 (8)
C13A—H13B0.9700C14B—C19B1.384 (8)
C14A—C15A1.384 (8)C15B—C16B1.389 (9)
C14A—C19A1.391 (8)C15B—H15B0.9300
C15A—C16A1.380 (8)C16B—C17B1.337 (9)
C15A—H15A0.9300C16B—H16B0.9300
C16A—C17A1.386 (9)C17B—C18B1.403 (9)
C16A—H16A0.9300C17B—H17B0.9300
C17A—C18A1.372 (9)C18B—C19B1.394 (8)
C17A—H17A0.9300C18B—H18B0.9300
C18A—C19A1.390 (8)C19B—H19B0.9300
C18A—H18A0.9300C20B—C21B1.390 (8)
C19A—H19A0.9300C20B—C25B1.410 (8)
C20A—C25A1.362 (8)C21B—C22B1.413 (8)
C20A—C21A1.425 (8)C21B—H21B0.9300
C21A—C22A1.374 (8)C22B—C23B1.383 (9)
C21A—H21A0.9300C22B—H22B0.9300
C22A—C23A1.361 (10)C23B—C24B1.373 (9)
C22A—H22A0.9300C23B—H23B0.9300
C23A—C24A1.378 (10)C24B—C25B1.375 (8)
C23A—H23A0.9300C24B—H24B0.9300
C24A—C25A1.414 (9)C25B—H25B0.9300
C24A—H24A0.9300C26B—C27B1.367 (8)
C25A—H25A0.9300C26B—C31B1.392 (8)
C26A—C31A1.375 (8)C27B—C28B1.390 (8)
C26A—C27A1.401 (8)C27B—H27B0.9300
C27A—C28A1.370 (8)C28B—C29B1.366 (9)
C27A—H27A0.9300C28B—H28B0.9300
C28A—C29A1.391 (8)C29B—C30B1.362 (9)
C28A—H28A0.9300C30B—C31B1.383 (8)
C29A—C30A1.360 (8)C30B—H30B0.9300
C30A—C31A1.390 (8)C31B—H31B0.9300
C30A—H30A0.9300C32B—C33B1.388 (8)
C31A—H31A0.9300C32B—C37B1.409 (8)
C32A—C33A1.376 (7)C33B—C34B1.395 (9)
C32A—C37A1.403 (7)C33B—H33B0.9300
C33A—C34A1.386 (9)C34B—C35B1.358 (10)
C33A—H33A0.9300C34B—H34B0.9300
C34A—C35A1.383 (9)C35B—C36B1.389 (9)
C34A—H34A0.9300C36B—C37B1.380 (8)
C35A—C36A1.379 (8)C36B—H36B0.9300
C36A—C37A1.371 (7)C37B—H37B0.9300
C36A—H36A0.9300C38B—C39B1.370 (8)
C37A—H37A0.9300C38B—C43B1.422 (8)
C38A—C39A1.396 (7)C39B—C40B1.375 (8)
C38A—C43A1.398 (8)C39B—H39B0.9300
C39A—C40A1.386 (8)C40B—C41B1.355 (8)
C39A—H39A0.9300C40B—H40B0.9300
C40A—C41A1.386 (8)C41B—C42B1.382 (8)
C40A—H40A0.9300C42B—C43B1.369 (8)
C41A—C42A1.388 (8)C42B—H42B0.9300
C42A—C43A1.393 (8)C43B—H43B0.9300
C42A—H42A0.9300Cl4—C531.723 (7)
C43A—H43A0.9300Cl5—C531.761 (8)
Ru1B—C45B1.875 (6)Cl6—C531.763 (7)
Ru1B—C46B1.919 (6)C53—H53A0.9800
C45A—Ru1A—C46A96.6 (3)C45B—Ru1B—As1B100.63 (19)
C45A—Ru1A—C44A88.8 (2)C46B—Ru1B—As1B95.86 (17)
C46A—Ru1A—C44A174.4 (2)C44B—Ru1B—As1B85.03 (17)
C45A—Ru1A—As1A104.81 (19)C45B—Ru1B—Ru2B167.10 (19)
C46A—Ru1A—As1A86.42 (19)C46B—Ru1B—Ru2B90.12 (17)
C44A—Ru1A—As1A93.66 (16)C44B—Ru1B—Ru2B86.70 (19)
C45A—Ru1A—Ru3A102.91 (19)As1B—Ru1B—Ru2B92.27 (2)
C46A—Ru1A—Ru3A89.15 (18)C45B—Ru1B—Ru3B108.49 (19)
C44A—Ru1A—Ru3A88.17 (16)C46B—Ru1B—Ru3B82.11 (17)
As1A—Ru1A—Ru3A152.25 (2)C44B—Ru1B—Ru3B95.57 (17)
C45A—Ru1A—Ru2A162.03 (19)As1B—Ru1B—Ru3B150.71 (3)
C46A—Ru1A—Ru2A82.80 (19)Ru2B—Ru1B—Ru3B58.622 (15)
C44A—Ru1A—Ru2A91.58 (16)C48B—Ru2B—C49B89.8 (3)
As1A—Ru1A—Ru2A93.10 (2)C48B—Ru2B—C47B93.4 (3)
Ru3A—Ru1A—Ru2A59.156 (15)C49B—Ru2B—C47B174.8 (2)
C48A—Ru2A—C49A90.7 (3)C48B—Ru2B—As2B102.75 (18)
C48A—Ru2A—C47A89.9 (3)C49B—Ru2B—As2B90.40 (17)
C49A—Ru2A—C47A179.1 (3)C47B—Ru2B—As2B92.86 (17)
C48A—Ru2A—As2A104.65 (17)C48B—Ru2B—Ru3B100.12 (19)
C49A—Ru2A—As2A93.89 (17)C49B—Ru2B—Ru3B84.05 (17)
C47A—Ru2A—As2A86.69 (18)C47B—Ru2B—Ru3B91.38 (17)
C48A—Ru2A—Ru3A100.12 (17)As2B—Ru2B—Ru3B156.44 (3)
C49A—Ru2A—Ru3A91.88 (17)C48B—Ru2B—Ru1B161.05 (19)
C47A—Ru2A—Ru3A87.29 (18)C49B—Ru2B—Ru1B89.97 (17)
As2A—Ru2A—Ru3A154.47 (3)C47B—Ru2B—Ru1B85.67 (18)
C48A—Ru2A—Ru1A159.44 (17)As2B—Ru2B—Ru1B96.20 (2)
C49A—Ru2A—Ru1A84.48 (17)Ru3B—Ru2B—Ru1B61.024 (16)
C47A—Ru2A—Ru1A94.75 (19)C51B—Ru3B—C50B95.0 (2)
As2A—Ru2A—Ru1A95.62 (2)C51B—Ru3B—C52B97.8 (2)
Ru3A—Ru2A—Ru1A60.215 (16)C50B—Ru3B—C52B167.0 (2)
C51A—Ru3A—C52A89.9 (2)C51B—Ru3B—P1B95.91 (18)
C51A—Ru3A—C50A92.2 (2)C50B—Ru3B—P1B88.90 (17)
C52A—Ru3A—C50A177.0 (2)C52B—Ru3B—P1B87.99 (17)
C51A—Ru3A—P1A97.00 (17)C51B—Ru3B—Ru2B85.40 (18)
C52A—Ru3A—P1A89.73 (17)C50B—Ru3B—Ru2B94.01 (17)
C50A—Ru3A—P1A92.19 (17)C52B—Ru3B—Ru2B88.84 (17)
C51A—Ru3A—Ru2A90.83 (17)P1B—Ru3B—Ru2B176.70 (4)
C52A—Ru3A—Ru2A88.99 (17)C51B—Ru3B—Ru1B143.48 (18)
C50A—Ru3A—Ru2A88.79 (17)C50B—Ru3B—Ru1B76.58 (17)
P1A—Ru3A—Ru2A172.07 (4)C52B—Ru3B—Ru1B93.99 (16)
C51A—Ru3A—Ru1A151.36 (17)P1B—Ru3B—Ru1B119.00 (4)
C52A—Ru3A—Ru1A87.52 (17)Ru2B—Ru3B—Ru1B60.354 (16)
C50A—Ru3A—Ru1A89.60 (17)C7B—As1B—C1B99.3 (2)
P1A—Ru3A—Ru1A111.50 (4)C7B—As1B—C13B106.5 (2)
Ru2A—Ru3A—Ru1A60.630 (15)C1B—As1B—C13B97.2 (2)
C7A—As1A—C13A107.0 (2)C7B—As1B—Ru1B119.95 (17)
C7A—As1A—C1A99.9 (2)C1B—As1B—Ru1B116.63 (18)
C13A—As1A—C1A96.6 (2)C13B—As1B—Ru1B114.04 (16)
C7A—As1A—Ru1A117.73 (16)C14B—As2B—C20B99.7 (2)
C13A—As1A—Ru1A113.97 (16)C14B—As2B—C13B102.0 (2)
C1A—As1A—Ru1A118.72 (18)C20B—As2B—C13B103.7 (2)
C14A—As2A—C20A97.8 (2)C14B—As2B—Ru2B113.83 (17)
C14A—As2A—C13A104.9 (2)C20B—As2B—Ru2B121.07 (16)
C20A—As2A—C13A101.6 (2)C13B—As2B—Ru2B114.02 (16)
C14A—As2A—Ru2A121.84 (17)C26B—P1B—C32B104.6 (3)
C20A—As2A—Ru2A114.21 (17)C26B—P1B—C38B104.7 (2)
C13A—As2A—Ru2A113.60 (16)C32B—P1B—C38B103.0 (3)
C26A—P1A—C32A102.0 (3)C26B—P1B—Ru3B116.21 (18)
C26A—P1A—C38A104.1 (2)C32B—P1B—Ru3B114.07 (19)
C32A—P1A—C38A100.3 (2)C38B—P1B—Ru3B112.95 (19)
C26A—P1A—Ru3A107.82 (17)C6B—C1B—C2B119.6 (6)
C32A—P1A—Ru3A121.96 (18)C6B—C1B—As1B120.6 (5)
C38A—P1A—Ru3A118.36 (19)C2B—C1B—As1B119.7 (5)
C2A—C1A—C6A120.4 (5)C1B—C2B—C3B119.8 (6)
C2A—C1A—As1A119.1 (4)C1B—C2B—H2BA120.1
C6A—C1A—As1A120.5 (4)C3B—C2B—H2BA120.1
C1A—C2A—C3A119.4 (6)C4B—C3B—C2B120.2 (6)
C1A—C2A—H2AA120.3C4B—C3B—H3BA119.9
C3A—C2A—H2AA120.3C2B—C3B—H3BA119.9
C4A—C3A—C2A120.4 (6)C3B—C4B—C5B120.2 (6)
C4A—C3A—H3AA119.8C3B—C4B—H4BA119.9
C2A—C3A—H3AA119.8C5B—C4B—H4BA119.9
C3A—C4A—C5A120.8 (6)C6B—C5B—C4B120.1 (6)
C3A—C4A—H4AA119.6C6B—C5B—H5BA119.9
C5A—C4A—H4AA119.6C4B—C5B—H5BA119.9
C4A—C5A—C6A119.7 (6)C5B—C6B—C1B120.1 (6)
C4A—C5A—H5AA120.1C5B—C6B—H6BA120.0
C6A—C5A—H5AA120.1C1B—C6B—H6BA120.0
C1A—C6A—C5A119.3 (6)C8B—C7B—C12B119.0 (6)
C1A—C6A—H6AA120.3C8B—C7B—As1B123.9 (5)
C5A—C6A—H6AA120.3C12B—C7B—As1B116.8 (4)
C12A—C7A—C8A119.9 (5)C7B—C8B—C9B121.6 (7)
C12A—C7A—As1A116.6 (4)C7B—C8B—H8BA119.2
C8A—C7A—As1A123.5 (4)C9B—C8B—H8BA119.2
C9A—C8A—C7A118.8 (6)C10B—C9B—C8B117.9 (7)
C9A—C8A—H8AA120.6C10B—C9B—H9BA121.0
C7A—C8A—H8AA120.6C8B—C9B—H9BA121.0
C10A—C9A—C8A121.7 (6)C11B—C10B—C9B121.2 (6)
C10A—C9A—H9AA119.2C11B—C10B—H10B119.4
C8A—C9A—H9AA119.2C9B—C10B—H10B119.4
C9A—C10A—C11A119.9 (6)C10B—C11B—C12B120.5 (7)
C9A—C10A—H10A120.1C10B—C11B—H11B119.7
C11A—C10A—H10A120.1C12B—C11B—H11B119.7
C10A—C11A—C12A119.0 (6)C11B—C12B—C7B119.8 (6)
C10A—C11A—H11A120.5C11B—C12B—H12B120.1
C12A—C11A—H11A120.5C7B—C12B—H12B120.1
C7A—C12A—C11A120.7 (6)As2B—C13B—As1B112.4 (3)
C7A—C12A—H12A119.6As2B—C13B—H13C109.1
C11A—C12A—H12A119.6As1B—C13B—H13C109.1
As1A—C13A—As2A112.7 (3)As2B—C13B—H13D109.1
As1A—C13A—H13A109.1As1B—C13B—H13D109.1
As2A—C13A—H13A109.1H13C—C13B—H13D107.9
As1A—C13A—H13B109.1C15B—C14B—C19B118.9 (5)
As2A—C13A—H13B109.1C15B—C14B—As2B122.2 (4)
H13A—C13A—H13B107.8C19B—C14B—As2B118.8 (5)
C15A—C14A—C19A120.5 (5)C14B—C15B—C16B120.4 (6)
C15A—C14A—As2A117.2 (4)C14B—C15B—H15B119.8
C19A—C14A—As2A121.8 (4)C16B—C15B—H15B119.8
C16A—C15A—C14A119.3 (6)C17B—C16B—C15B120.5 (6)
C16A—C15A—H15A120.4C17B—C16B—H16B119.8
C14A—C15A—H15A120.4C15B—C16B—H16B119.8
C15A—C16A—C17A121.1 (6)C16B—C17B—C18B120.9 (6)
C15A—C16A—H16A119.4C16B—C17B—H17B119.6
C17A—C16A—H16A119.4C18B—C17B—H17B119.6
C18A—C17A—C16A119.1 (6)C19B—C18B—C17B118.5 (6)
C18A—C17A—H17A120.5C19B—C18B—H18B120.7
C16A—C17A—H17A120.5C17B—C18B—H18B120.7
C17A—C18A—C19A121.1 (6)C14B—C19B—C18B120.6 (6)
C17A—C18A—H18A119.4C14B—C19B—H19B119.7
C19A—C18A—H18A119.4C18B—C19B—H19B119.7
C18A—C19A—C14A119.0 (6)C21B—C20B—C25B119.9 (5)
C18A—C19A—H19A120.5C21B—C20B—As2B117.9 (4)
C14A—C19A—H19A120.5C25B—C20B—As2B121.6 (4)
C25A—C20A—C21A119.8 (5)C20B—C21B—C22B119.1 (6)
C25A—C20A—As2A123.7 (4)C20B—C21B—H21B120.4
C21A—C20A—As2A116.4 (4)C22B—C21B—H21B120.4
C22A—C21A—C20A118.5 (6)C23B—C22B—C21B119.4 (6)
C22A—C21A—H21A120.7C23B—C22B—H22B120.3
C20A—C21A—H21A120.7C21B—C22B—H22B120.3
C23A—C22A—C21A122.5 (6)C24B—C23B—C22B121.2 (6)
C23A—C22A—H22A118.8C24B—C23B—H23B119.4
C21A—C22A—H22A118.8C22B—C23B—H23B119.4
C22A—C23A—C24A118.9 (6)C23B—C24B—C25B120.1 (6)
C22A—C23A—H23A120.5C23B—C24B—H24B120.0
C24A—C23A—H23A120.5C25B—C24B—H24B120.0
C23A—C24A—C25A120.7 (6)C24B—C25B—C20B120.0 (6)
C23A—C24A—H24A119.6C24B—C25B—H25B120.0
C25A—C24A—H24A119.6C20B—C25B—H25B120.0
C20A—C25A—C24A119.4 (6)C27B—C26B—C31B117.7 (5)
C20A—C25A—H25A120.3C27B—C26B—P1B123.7 (4)
C24A—C25A—H25A120.3C31B—C26B—P1B118.6 (4)
C31A—C26A—C27A117.4 (5)C26B—C27B—C28B121.7 (6)
C31A—C26A—P1A120.5 (4)C26B—C27B—H27B119.1
C27A—C26A—P1A120.9 (4)C28B—C27B—H27B119.1
C28A—C27A—C26A121.9 (6)C29B—C28B—C27B118.5 (6)
C28A—C27A—H27A119.0C29B—C28B—H28B120.8
C26A—C27A—H27A119.0C27B—C28B—H28B120.8
C27A—C28A—C29A118.9 (5)C30B—C29B—C28B122.0 (6)
C27A—C28A—H28A120.5C30B—C29B—Cl1B118.5 (5)
C29A—C28A—H28A120.5C28B—C29B—Cl1B119.5 (5)
C30A—C29A—C28A120.4 (5)C29B—C30B—C31B118.4 (6)
C30A—C29A—Cl1A120.3 (5)C29B—C30B—H30B120.8
C28A—C29A—Cl1A119.2 (4)C31B—C30B—H30B120.8
C29A—C30A—C31A120.0 (6)C30B—C31B—C26B121.6 (6)
C29A—C30A—H30A120.0C30B—C31B—H31B119.2
C31A—C30A—H30A120.0C26B—C31B—H31B119.2
C26A—C31A—C30A121.3 (5)C33B—C32B—C37B116.9 (6)
C26A—C31A—H31A119.4C33B—C32B—P1B125.3 (5)
C30A—C31A—H31A119.4C37B—C32B—P1B117.5 (4)
C33A—C32A—C37A118.8 (5)C32B—C33B—C34B120.9 (6)
C33A—C32A—P1A122.5 (4)C32B—C33B—H33B119.6
C37A—C32A—P1A118.7 (4)C34B—C33B—H33B119.6
C32A—C33A—C34A121.1 (5)C35B—C34B—C33B120.6 (6)
C32A—C33A—H33A119.5C35B—C34B—H34B119.7
C34A—C33A—H33A119.5C33B—C34B—H34B119.7
C35A—C34A—C33A118.7 (5)C34B—C35B—C36B120.6 (6)
C35A—C34A—H34A120.6C34B—C35B—Cl2B120.2 (6)
C33A—C34A—H34A120.6C36B—C35B—Cl2B119.2 (6)
C36A—C35A—C34A121.3 (5)C37B—C36B—C35B118.7 (6)
C36A—C35A—Cl2A118.0 (4)C37B—C36B—H36B120.7
C34A—C35A—Cl2A120.6 (5)C35B—C36B—H36B120.7
C37A—C36A—C35A119.4 (5)C36B—C37B—C32B122.3 (6)
C37A—C36A—H36A120.3C36B—C37B—H37B118.8
C35A—C36A—H36A120.3C32B—C37B—H37B118.8
C36A—C37A—C32A120.6 (5)C39B—C38B—C43B116.8 (5)
C36A—C37A—H37A119.7C39B—C38B—P1B123.9 (5)
C32A—C37A—H37A119.7C43B—C38B—P1B119.2 (4)
C39A—C38A—C43A118.3 (5)C38B—C39B—C40B122.5 (6)
C39A—C38A—P1A122.9 (4)C38B—C39B—H39B118.8
C43A—C38A—P1A118.8 (4)C40B—C39B—H39B118.8
C40A—C39A—C38A120.9 (5)C41B—C40B—C39B119.1 (6)
C40A—C39A—H39A119.5C41B—C40B—H40B120.4
C38A—C39A—H39A119.5C39B—C40B—H40B120.4
C41A—C40A—C39A119.8 (5)C40B—C41B—C42B121.2 (6)
C41A—C40A—H40A120.1C40B—C41B—Cl3B120.3 (5)
C39A—C40A—H40A120.1C42B—C41B—Cl3B118.5 (5)
C40A—C41A—C42A120.7 (6)C43B—C42B—C41B119.2 (6)
C40A—C41A—Cl3A119.8 (4)C43B—C42B—H42B120.4
C42A—C41A—Cl3A119.5 (5)C41B—C42B—H42B120.4
C41A—C42A—C43A119.1 (6)C42B—C43B—C38B120.8 (5)
C41A—C42A—H42A120.5C42B—C43B—H43B119.6
C43A—C42A—H42A120.5C38B—C43B—H43B119.6
C42A—C43A—C38A121.2 (5)O1B—C44B—Ru1B172.8 (5)
C42A—C43A—H43A119.4O2B—C45B—Ru1B175.9 (6)
C38A—C43A—H43A119.4O3B—C46B—Ru1B171.0 (5)
O1A—C44A—Ru1A174.0 (5)O4B—C47B—Ru2B174.7 (5)
O2A—C45A—Ru1A177.2 (6)O5B—C48B—Ru2B177.8 (6)
O3A—C46A—Ru1A172.1 (5)O6B—C49B—Ru2B175.6 (5)
O4A—C47A—Ru2A172.5 (6)O7B—C50B—Ru3B172.8 (5)
O5A—C48A—Ru2A176.2 (6)O8B—C51B—Ru3B176.9 (5)
O6A—C49A—Ru2A173.7 (5)O9B—C52B—Ru3B174.1 (5)
O7A—C50A—Ru3A173.6 (5)Cl4—C53—Cl5111.0 (4)
O8A—C51A—Ru3A178.0 (5)Cl4—C53—Cl6112.2 (4)
O9A—C52A—Ru3A173.1 (5)Cl5—C53—Cl6109.1 (4)
C45B—Ru1B—C46B88.4 (3)Cl4—C53—H53A108.1
C45B—Ru1B—C44B94.5 (3)Cl5—C53—H53A108.1
C46B—Ru1B—C44B176.7 (3)Cl6—C53—H53A108.1
C45A—Ru1A—Ru2A—C48A−22.4 (8)C45B—Ru1B—Ru2B—C48B−9.0 (11)
C46A—Ru1A—Ru2A—C48A−111.6 (6)C46B—Ru1B—Ru2B—C48B74.6 (7)
C44A—Ru1A—Ru2A—C48A68.7 (6)C44B—Ru1B—Ru2B—C48B−104.7 (7)
As1A—Ru1A—Ru2A—C48A162.4 (6)As1B—Ru1B—Ru2B—C48B170.4 (6)
Ru3A—Ru1A—Ru2A—C48A−18.2 (6)Ru3B—Ru1B—Ru2B—C48B−6.1 (6)
C45A—Ru1A—Ru2A—C49A−99.5 (6)C45B—Ru1B—Ru2B—C49B80.3 (9)
C46A—Ru1A—Ru2A—C49A171.3 (3)C46B—Ru1B—Ru2B—C49B163.9 (2)
C44A—Ru1A—Ru2A—C49A−8.4 (2)C44B—Ru1B—Ru2B—C49B−15.4 (2)
As1A—Ru1A—Ru2A—C49A85.32 (18)As1B—Ru1B—Ru2B—C49B−100.25 (17)
Ru3A—Ru1A—Ru2A—C49A−95.36 (18)Ru3B—Ru1B—Ru2B—C49B83.21 (17)
C45A—Ru1A—Ru2A—C47A80.0 (6)C45B—Ru1B—Ru2B—C47B−96.9 (9)
C46A—Ru1A—Ru2A—C47A−9.2 (3)C46B—Ru1B—Ru2B—C47B−13.3 (2)
C44A—Ru1A—Ru2A—C47A171.1 (2)C44B—Ru1B—Ru2B—C47B167.4 (2)
As1A—Ru1A—Ru2A—C47A−95.18 (18)As1B—Ru1B—Ru2B—C47B82.56 (17)
Ru3A—Ru1A—Ru2A—C47A84.14 (18)Ru3B—Ru1B—Ru2B—C47B−93.99 (17)
C45A—Ru1A—Ru2A—As2A167.1 (6)C45B—Ru1B—Ru2B—As2B170.7 (9)
C46A—Ru1A—Ru2A—As2A77.94 (19)C46B—Ru1B—Ru2B—As2B−105.72 (18)
C44A—Ru1A—Ru2A—As2A−101.81 (16)C44B—Ru1B—Ru2B—As2B75.03 (17)
As1A—Ru1A—Ru2A—As2A−8.05 (2)As1B—Ru1B—Ru2B—As2B−9.85 (2)
Ru3A—Ru1A—Ru2A—As2A171.27 (2)Ru3B—Ru1B—Ru2B—As2B173.60 (2)
C45A—Ru1A—Ru2A—Ru3A−4.1 (6)C45B—Ru1B—Ru2B—Ru3B−2.9 (9)
C46A—Ru1A—Ru2A—Ru3A−93.32 (19)C46B—Ru1B—Ru2B—Ru3B80.67 (17)
C44A—Ru1A—Ru2A—Ru3A86.92 (16)C44B—Ru1B—Ru2B—Ru3B−98.57 (17)
As1A—Ru1A—Ru2A—Ru3A−179.32 (2)As1B—Ru1B—Ru2B—Ru3B176.54 (2)
C48A—Ru2A—Ru3A—C51A−8.8 (3)C48B—Ru2B—Ru3B—C51B−15.2 (3)
C49A—Ru2A—Ru3A—C51A−99.9 (2)C49B—Ru2B—Ru3B—C51B73.5 (2)
C47A—Ru2A—Ru3A—C51A80.5 (3)C47B—Ru2B—Ru3B—C51B−108.9 (2)
As2A—Ru2A—Ru3A—C51A157.05 (17)As2B—Ru2B—Ru3B—C51B150.70 (18)
Ru1A—Ru2A—Ru3A—C51A177.58 (17)Ru1B—Ru2B—Ru3B—C51B166.79 (17)
C48A—Ru2A—Ru3A—C52A−98.7 (3)C48B—Ru2B—Ru3B—C50B−109.9 (3)
C49A—Ru2A—Ru3A—C52A170.3 (2)C49B—Ru2B—Ru3B—C50B−21.2 (2)
C47A—Ru2A—Ru3A—C52A−9.3 (3)C47B—Ru2B—Ru3B—C50B156.4 (2)
As2A—Ru2A—Ru3A—C52A67.20 (19)As2B—Ru2B—Ru3B—C50B56.00 (18)
Ru1A—Ru2A—Ru3A—C52A87.73 (18)Ru1B—Ru2B—Ru3B—C50B72.08 (17)
C48A—Ru2A—Ru3A—C50A83.4 (3)C48B—Ru2B—Ru3B—C52B82.7 (3)
C49A—Ru2A—Ru3A—C50A−7.7 (2)C49B—Ru2B—Ru3B—C52B171.5 (2)
C47A—Ru2A—Ru3A—C50A172.7 (3)C47B—Ru2B—Ru3B—C52B−11.0 (2)
As2A—Ru2A—Ru3A—C50A−110.74 (17)As2B—Ru2B—Ru3B—C52B−111.34 (18)
Ru1A—Ru2A—Ru3A—C50A−90.22 (17)Ru1B—Ru2B—Ru3B—C52B−95.25 (17)
C48A—Ru2A—Ru3A—Ru1A173.6 (2)C48B—Ru2B—Ru3B—Ru1B178.0 (2)
C49A—Ru2A—Ru3A—Ru1A82.55 (18)C49B—Ru2B—Ru3B—Ru1B−93.27 (18)
C47A—Ru2A—Ru3A—Ru1A−97.04 (19)C47B—Ru2B—Ru3B—Ru1B84.28 (18)
As2A—Ru2A—Ru3A—Ru1A−20.53 (5)As2B—Ru2B—Ru3B—Ru1B−16.08 (6)
C45A—Ru1A—Ru3A—C51A173.6 (4)C45B—Ru1B—Ru3B—C51B156.8 (4)
C46A—Ru1A—Ru3A—C51A77.1 (4)C46B—Ru1B—Ru3B—C51B−117.5 (3)
C44A—Ru1A—Ru3A—C51A−98.0 (4)C44B—Ru1B—Ru3B—C51B60.2 (3)
As1A—Ru1A—Ru3A—C51A−3.6 (4)As1B—Ru1B—Ru3B—C51B−29.6 (3)
Ru2A—Ru1A—Ru3A—C51A−5.1 (4)Ru2B—Ru1B—Ru3B—C51B−22.5 (3)
C45A—Ru1A—Ru3A—C52A88.5 (3)C45B—Ru1B—Ru3B—C50B76.7 (3)
C46A—Ru1A—Ru3A—C52A−8.1 (3)C46B—Ru1B—Ru3B—C50B162.4 (3)
C44A—Ru1A—Ru3A—C52A176.8 (2)C44B—Ru1B—Ru3B—C50B−19.9 (3)
As1A—Ru1A—Ru3A—C52A−88.78 (18)As1B—Ru1B—Ru3B—C50B−109.69 (18)
Ru2A—Ru1A—Ru3A—C52A−90.23 (18)Ru2B—Ru1B—Ru3B—C50B−102.62 (18)
C45A—Ru1A—Ru3A—C50A−92.5 (3)C45B—Ru1B—Ru3B—C52B−94.3 (3)
C46A—Ru1A—Ru3A—C50A171.0 (3)C46B—Ru1B—Ru3B—C52B−8.6 (2)
C44A—Ru1A—Ru3A—C50A−4.1 (2)C44B—Ru1B—Ru3B—C52B169.1 (3)
As1A—Ru1A—Ru3A—C50A90.30 (17)As1B—Ru1B—Ru3B—C52B79.31 (18)
Ru2A—Ru1A—Ru3A—C50A88.84 (17)Ru2B—Ru1B—Ru3B—C52B86.38 (17)
C45A—Ru1A—Ru3A—P1A−0.3 (2)C45B—Ru1B—Ru3B—P1B−4.4 (2)
C46A—Ru1A—Ru3A—P1A−96.8 (2)C46B—Ru1B—Ru3B—P1B81.30 (19)
C44A—Ru1A—Ru3A—P1A88.10 (17)C44B—Ru1B—Ru3B—P1B−101.02 (19)
As1A—Ru1A—Ru3A—P1A−177.51 (6)As1B—Ru1B—Ru3B—P1B169.22 (6)
Ru2A—Ru1A—Ru3A—P1A−178.96 (4)Ru2B—Ru1B—Ru3B—P1B176.29 (5)
C45A—Ru1A—Ru3A—Ru2A178.70 (19)C45B—Ru1B—Ru3B—Ru2B179.3 (2)
C46A—Ru1A—Ru3A—Ru2A82.1 (2)C46B—Ru1B—Ru3B—Ru2B−94.99 (18)
C44A—Ru1A—Ru3A—Ru2A−92.94 (16)C44B—Ru1B—Ru3B—Ru2B82.69 (18)
As1A—Ru1A—Ru3A—Ru2A1.45 (5)As1B—Ru1B—Ru3B—Ru2B−7.08 (5)
C45A—Ru1A—As1A—C7A81.1 (3)C45B—Ru1B—As1B—C7B79.3 (3)
C46A—Ru1A—As1A—C7A177.0 (3)C46B—Ru1B—As1B—C7B−10.2 (3)
C44A—Ru1A—As1A—C7A−8.6 (3)C44B—Ru1B—As1B—C7B173.0 (3)
Ru3A—Ru1A—As1A—C7A−101.6 (2)Ru2B—Ru1B—As1B—C7B−100.5 (2)
Ru2A—Ru1A—As1A—C7A−100.4 (2)Ru3B—Ru1B—As1B—C7B−94.5 (2)
C45A—Ru1A—As1A—C13A−152.3 (3)C45B—Ru1B—As1B—C1B−40.5 (3)
C46A—Ru1A—As1A—C13A−56.4 (3)C46B—Ru1B—As1B—C1B−130.0 (3)
C44A—Ru1A—As1A—C13A118.0 (2)C44B—Ru1B—As1B—C1B53.1 (3)
Ru3A—Ru1A—As1A—C13A24.9 (2)Ru2B—Ru1B—As1B—C1B139.59 (18)
Ru2A—Ru1A—As1A—C13A26.17 (19)Ru3B—Ru1B—As1B—C1B145.64 (18)
C45A—Ru1A—As1A—C1A−39.6 (3)C45B—Ru1B—As1B—C13B−152.7 (3)
C46A—Ru1A—As1A—C1A56.3 (3)C46B—Ru1B—As1B—C13B117.8 (2)
C44A—Ru1A—As1A—C1A−129.3 (2)C44B—Ru1B—As1B—C13B−59.1 (3)
Ru3A—Ru1A—As1A—C1A137.67 (19)Ru2B—Ru1B—As1B—C13B27.43 (17)
Ru2A—Ru1A—As1A—C1A138.92 (19)Ru3B—Ru1B—As1B—C13B33.47 (18)
C48A—Ru2A—As2A—C14A−59.7 (3)C48B—Ru2B—As2B—C14B55.3 (3)
C49A—Ru2A—As2A—C14A32.1 (3)C49B—Ru2B—As2B—C14B−34.6 (2)
C47A—Ru2A—As2A—C14A−148.7 (3)C47B—Ru2B—As2B—C14B149.4 (3)
Ru3A—Ru2A—As2A—C14A134.68 (19)Ru3B—Ru2B—As2B—C14B−110.52 (19)
Ru1A—Ru2A—As2A—C14A116.88 (19)Ru1B—Ru2B—As2B—C14B−124.63 (18)
C48A—Ru2A—As2A—C20A57.3 (3)C48B—Ru2B—As2B—C20B−63.5 (3)
C49A—Ru2A—As2A—C20A149.1 (2)C49B—Ru2B—As2B—C20B−153.4 (3)
C47A—Ru2A—As2A—C20A−31.6 (3)C47B—Ru2B—As2B—C20B30.6 (3)
Ru3A—Ru2A—As2A—C20A−108.28 (19)Ru3B—Ru2B—As2B—C20B130.70 (19)
Ru1A—Ru2A—As2A—C20A−126.09 (18)Ru1B—Ru2B—As2B—C20B116.59 (18)
C48A—Ru2A—As2A—C13A173.3 (3)C48B—Ru2B—As2B—C13B171.7 (3)
C49A—Ru2A—As2A—C13A−95.0 (3)C49B—Ru2B—As2B—C13B81.8 (2)
C47A—Ru2A—As2A—C13A84.3 (3)C47B—Ru2B—As2B—C13B−94.2 (3)
Ru3A—Ru2A—As2A—C13A7.65 (19)Ru3B—Ru2B—As2B—C13B5.88 (19)
Ru1A—Ru2A—As2A—C13A−10.16 (18)Ru1B—Ru2B—As2B—C13B−8.23 (18)
C51A—Ru3A—P1A—C26A11.5 (3)C51B—Ru3B—P1B—C26B142.9 (3)
C52A—Ru3A—P1A—C26A101.3 (3)C50B—Ru3B—P1B—C26B−122.2 (3)
C50A—Ru3A—P1A—C26A−81.0 (3)C52B—Ru3B—P1B—C26B45.2 (3)
Ru1A—Ru3A—P1A—C26A−171.44 (19)Ru1B—Ru3B—P1B—C26B−48.2 (2)
C51A—Ru3A—P1A—C32A128.7 (3)C51B—Ru3B—P1B—C32B−95.3 (3)
C52A—Ru3A—P1A—C32A−141.4 (3)C50B—Ru3B—P1B—C32B−0.4 (3)
C50A—Ru3A—P1A—C32A36.2 (3)C52B—Ru3B—P1B—C32B167.0 (3)
Ru1A—Ru3A—P1A—C32A−54.2 (2)Ru1B—Ru3B—P1B—C32B73.6 (2)
C51A—Ru3A—P1A—C38A−106.2 (3)C51B—Ru3B—P1B—C38B21.9 (3)
C52A—Ru3A—P1A—C38A−16.3 (3)C50B—Ru3B—P1B—C38B116.8 (3)
C50A—Ru3A—P1A—C38A161.3 (3)C52B—Ru3B—P1B—C38B−75.7 (3)
Ru1A—Ru3A—P1A—C38A70.9 (2)Ru1B—Ru3B—P1B—C38B−169.19 (19)
C7A—As1A—C1A—C2A50.1 (5)C7B—As1B—C1B—C6B−129.5 (5)
C13A—As1A—C1A—C2A−58.5 (5)C13B—As1B—C1B—C6B122.5 (5)
Ru1A—As1A—C1A—C2A179.5 (4)Ru1B—As1B—C1B—C6B1.0 (5)
C7A—As1A—C1A—C6A−132.6 (5)C7B—As1B—C1B—C2B52.3 (5)
C13A—As1A—C1A—C6A118.8 (5)C13B—As1B—C1B—C2B−55.8 (5)
Ru1A—As1A—C1A—C6A−3.2 (5)Ru1B—As1B—C1B—C2B−177.3 (4)
C6A—C1A—C2A—C3A0.9 (9)C6B—C1B—C2B—C3B−0.5 (9)
As1A—C1A—C2A—C3A178.2 (4)As1B—C1B—C2B—C3B177.8 (5)
C1A—C2A—C3A—C4A0.1 (9)C1B—C2B—C3B—C4B1.3 (10)
C2A—C3A—C4A—C5A−1.4 (10)C2B—C3B—C4B—C5B−0.8 (10)
C3A—C4A—C5A—C6A1.7 (10)C3B—C4B—C5B—C6B−0.4 (10)
C2A—C1A—C6A—C5A−0.6 (9)C4B—C5B—C6B—C1B1.2 (9)
As1A—C1A—C6A—C5A−177.8 (4)C2B—C1B—C6B—C5B−0.8 (9)
C4A—C5A—C6A—C1A−0.7 (9)As1B—C1B—C6B—C5B−179.0 (5)
C13A—As1A—C7A—C12A−177.3 (4)C1B—As1B—C7B—C8B−86.9 (6)
C1A—As1A—C7A—C12A82.6 (5)C13B—As1B—C7B—C8B13.5 (6)
Ru1A—As1A—C7A—C12A−47.4 (5)Ru1B—As1B—C7B—C8B144.9 (5)
C13A—As1A—C7A—C8A4.6 (5)C1B—As1B—C7B—C12B87.0 (5)
C1A—As1A—C7A—C8A−95.5 (5)C13B—As1B—C7B—C12B−172.5 (4)
Ru1A—As1A—C7A—C8A134.5 (4)Ru1B—As1B—C7B—C12B−41.2 (5)
C12A—C7A—C8A—C9A−1.3 (9)C12B—C7B—C8B—C9B0.7 (10)
As1A—C7A—C8A—C9A176.7 (5)As1B—C7B—C8B—C9B174.5 (5)
C7A—C8A—C9A—C10A0.6 (11)C7B—C8B—C9B—C10B−1.3 (11)
C8A—C9A—C10A—C11A0.2 (11)C8B—C9B—C10B—C11B1.3 (11)
C9A—C10A—C11A—C12A−0.4 (10)C9B—C10B—C11B—C12B−0.5 (11)
C8A—C7A—C12A—C11A1.2 (9)C10B—C11B—C12B—C7B−0.2 (10)
As1A—C7A—C12A—C11A−177.0 (5)C8B—C7B—C12B—C11B0.1 (9)
C10A—C11A—C12A—C7A−0.3 (9)As1B—C7B—C12B—C11B−174.1 (5)
C7A—As1A—C13A—As2A93.7 (3)C14B—As2B—C13B—As1B151.6 (3)
C1A—As1A—C13A—As2A−163.8 (3)C20B—As2B—C13B—As1B−105.2 (3)
Ru1A—As1A—C13A—As2A−38.3 (3)Ru2B—As2B—C13B—As1B28.5 (3)
C14A—As2A—C13A—As1A−105.4 (3)C7B—As1B—C13B—As2B96.1 (3)
C20A—As2A—C13A—As1A153.2 (3)C1B—As1B—C13B—As2B−161.9 (3)
Ru2A—As2A—C13A—As1A30.0 (3)Ru1B—As1B—C13B—As2B−38.5 (3)
C20A—As2A—C14A—C15A−97.4 (5)C20B—As2B—C14B—C15B−74.7 (5)
C13A—As2A—C14A—C15A158.3 (4)C13B—As2B—C14B—C15B31.6 (5)
Ru2A—As2A—C14A—C15A27.5 (5)Ru2B—As2B—C14B—C15B154.9 (4)
C20A—As2A—C14A—C19A74.3 (5)C20B—As2B—C14B—C19B102.2 (5)
C13A—As2A—C14A—C19A−30.0 (5)C13B—As2B—C14B—C19B−151.4 (4)
Ru2A—As2A—C14A—C19A−160.8 (4)Ru2B—As2B—C14B—C19B−28.2 (5)
C19A—C14A—C15A—C16A−1.3 (9)C19B—C14B—C15B—C16B−0.9 (9)
As2A—C14A—C15A—C16A170.5 (4)As2B—C14B—C15B—C16B176.0 (5)
C14A—C15A—C16A—C17A0.5 (9)C14B—C15B—C16B—C17B3.4 (9)
C15A—C16A—C17A—C18A0.8 (9)C15B—C16B—C17B—C18B−3.0 (10)
C16A—C17A—C18A—C19A−1.4 (9)C16B—C17B—C18B—C19B0.1 (10)
C17A—C18A—C19A—C14A0.6 (9)C15B—C14B—C19B—C18B−2.0 (9)
C15A—C14A—C19A—C18A0.8 (9)As2B—C14B—C19B—C18B−179.0 (5)
As2A—C14A—C19A—C18A−170.6 (4)C17B—C18B—C19B—C14B2.4 (9)
C14A—As2A—C20A—C25A−83.7 (5)C14B—As2B—C20B—C21B−97.5 (4)
C13A—As2A—C20A—C25A23.4 (5)C13B—As2B—C20B—C21B157.5 (4)
Ru2A—As2A—C20A—C25A146.1 (5)Ru2B—As2B—C20B—C21B28.0 (5)
C14A—As2A—C20A—C21A93.6 (4)C14B—As2B—C20B—C25B73.5 (5)
C13A—As2A—C20A—C21A−159.3 (4)C13B—As2B—C20B—C25B−31.5 (5)
Ru2A—As2A—C20A—C21A−36.6 (5)Ru2B—As2B—C20B—C25B−161.0 (4)
C25A—C20A—C21A—C22A−1.8 (9)C25B—C20B—C21B—C22B0.1 (8)
As2A—C20A—C21A—C22A−179.2 (5)As2B—C20B—C21B—C22B171.3 (4)
C20A—C21A—C22A—C23A−0.1 (10)C20B—C21B—C22B—C23B−1.4 (9)
C21A—C22A—C23A—C24A2.4 (11)C21B—C22B—C23B—C24B3.7 (10)
C22A—C23A—C24A—C25A−2.8 (11)C22B—C23B—C24B—C25B−4.8 (9)
C21A—C20A—C25A—C24A1.4 (9)C23B—C24B—C25B—C20B3.4 (9)
As2A—C20A—C25A—C24A178.6 (5)C21B—C20B—C25B—C24B−1.1 (8)
C23A—C24A—C25A—C20A0.9 (10)As2B—C20B—C25B—C24B−171.9 (4)
C32A—P1A—C26A—C31A−41.0 (5)C32B—P1B—C26B—C27B110.3 (5)
C38A—P1A—C26A—C31A−144.9 (5)C38B—P1B—C26B—C27B2.3 (6)
Ru3A—P1A—C26A—C31A88.5 (4)Ru3B—P1B—C26B—C27B−123.0 (5)
C32A—P1A—C26A—C27A151.6 (5)C32B—P1B—C26B—C31B−70.8 (5)
C38A—P1A—C26A—C27A47.7 (5)C38B—P1B—C26B—C31B−178.8 (5)
Ru3A—P1A—C26A—C27A−78.9 (5)Ru3B—P1B—C26B—C31B55.9 (5)
C31A—C26A—C27A—C28A1.7 (9)C31B—C26B—C27B—C28B1.7 (9)
P1A—C26A—C27A—C28A169.5 (5)P1B—C26B—C27B—C28B−179.4 (5)
C26A—C27A—C28A—C29A−1.2 (9)C26B—C27B—C28B—C29B1.0 (10)
C27A—C28A—C29A—C30A1.0 (9)C27B—C28B—C29B—C30B−3.1 (10)
C27A—C28A—C29A—Cl1A−179.5 (5)C27B—C28B—C29B—Cl1B175.4 (5)
C28A—C29A—C30A—C31A−1.3 (9)C28B—C29B—C30B—C31B2.3 (10)
Cl1A—C29A—C30A—C31A179.2 (5)Cl1B—C29B—C30B—C31B−176.2 (5)
C27A—C26A—C31A—C30A−2.0 (8)C29B—C30B—C31B—C26B0.6 (10)
P1A—C26A—C31A—C30A−169.8 (4)C27B—C26B—C31B—C30B−2.5 (10)
C29A—C30A—C31A—C26A1.8 (9)P1B—C26B—C31B—C30B178.5 (5)
C26A—P1A—C32A—C33A126.7 (5)C26B—P1B—C32B—C33B24.8 (6)
C38A—P1A—C32A—C33A−126.3 (5)C38B—P1B—C32B—C33B134.0 (6)
Ru3A—P1A—C32A—C33A6.7 (6)Ru3B—P1B—C32B—C33B−103.2 (6)
C26A—P1A—C32A—C37A−52.8 (5)C26B—P1B—C32B—C37B−162.7 (4)
C38A—P1A—C32A—C37A54.1 (5)C38B—P1B—C32B—C37B−53.5 (5)
Ru3A—P1A—C32A—C37A−172.9 (4)Ru3B—P1B—C32B—C37B69.3 (5)
C37A—C32A—C33A—C34A3.1 (9)C37B—C32B—C33B—C34B0.9 (10)
P1A—C32A—C33A—C34A−176.5 (5)P1B—C32B—C33B—C34B173.5 (6)
C32A—C33A—C34A—C35A−2.6 (9)C32B—C33B—C34B—C35B−2.0 (12)
C33A—C34A—C35A—C36A0.9 (10)C33B—C34B—C35B—C36B1.7 (12)
C33A—C34A—C35A—Cl2A178.6 (5)C33B—C34B—C35B—Cl2B−177.6 (6)
C34A—C35A—C36A—C37A0.2 (9)C34B—C35B—C36B—C37B−0.5 (10)
Cl2A—C35A—C36A—C37A−177.5 (5)Cl2B—C35B—C36B—C37B178.9 (5)
C35A—C36A—C37A—C32A0.3 (9)C35B—C36B—C37B—C32B−0.5 (9)
C33A—C32A—C37A—C36A−1.9 (8)C33B—C32B—C37B—C36B0.3 (9)
P1A—C32A—C37A—C36A177.7 (4)P1B—C32B—C37B—C36B−172.8 (5)
C26A—P1A—C38A—C39A24.5 (5)C26B—P1B—C38B—C39B89.1 (6)
C32A—P1A—C38A—C39A−80.8 (5)C32B—P1B—C38B—C39B−20.0 (6)
Ru3A—P1A—C38A—C39A144.1 (4)Ru3B—P1B—C38B—C39B−143.6 (5)
C26A—P1A—C38A—C43A−157.9 (4)C26B—P1B—C38B—C43B−95.6 (5)
C32A—P1A—C38A—C43A96.9 (5)C32B—P1B—C38B—C43B155.3 (5)
Ru3A—P1A—C38A—C43A−38.2 (5)Ru3B—P1B—C38B—C43B31.8 (5)
C43A—C38A—C39A—C40A0.5 (8)C43B—C38B—C39B—C40B−5.8 (10)
P1A—C38A—C39A—C40A178.1 (4)P1B—C38B—C39B—C40B169.7 (5)
C38A—C39A—C40A—C41A1.3 (9)C38B—C39B—C40B—C41B1.6 (11)
C39A—C40A—C41A—C42A−2.3 (9)C39B—C40B—C41B—C42B4.5 (10)
C39A—C40A—C41A—Cl3A175.5 (4)C39B—C40B—C41B—Cl3B−176.5 (5)
C40A—C41A—C42A—C43A1.5 (9)C40B—C41B—C42B—C43B−6.0 (10)
Cl3A—C41A—C42A—C43A−176.4 (5)Cl3B—C41B—C42B—C43B174.9 (5)
C41A—C42A—C43A—C38A0.4 (9)C41B—C42B—C43B—C38B1.6 (9)
C39A—C38A—C43A—C42A−1.3 (8)C39B—C38B—C43B—C42B4.1 (9)
P1A—C38A—C43A—C42A−179.1 (5)P1B—C38B—C43B—C42B−171.6 (5)

Hydrogen-bond geometry (Å, °)

Cg1 Cg2 and Cg3 are the centroids of the C14A–C19A, C20B–C25B and C1A–C6A benzene rings, respectively.
D—H···AD—HH···AD···AD—H···A
C5B—H5BA···O4Bi0.932.533.293 (8)139
C23B—H23B···Cl1Bii0.932.813.566 (7)139
C40B—H40B···O3Aii0.932.493.047 (8)119
C4A—H4AA···Cg1iii0.932.863.560 (7)133
C4B—H4BA···Cg2iv0.932.683.314 (7)126
C16A—H16A···Cg3v0.932.853.629 (7)142
C16B—H16B···Cg2vi0.932.943.591 (7)128
C24A—H24A···Cg1vii0.932.903.582 (7)131

Symmetry codes: (i) −x+3/2, y, z+1/2; (ii) −x+2, −y+1, z−1/2; (iii) −x+2, −y+2, z−1/2; (iv) −x+1, −y+1, z+1/2; (v) x+3/2, −y, z; (vi) −x−1/2, y+1, z+1/2; (vii) −x+1/2, y+2, z+1/2.

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SJ2702).

References

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