Literature DB >> 21579981

Bis{[μ-bis-(diphenyl-arsino)methane-1:2κAs:As']nona-carbonyl-1κC,2κC,3κC-[tris-(4-chloro-phen-yl)phosphine-3κP]-triangulo-triruthenium(0)} chloro-form monosolvate.

Omar Bin Shawkataly, Imthyaz Ahmed Khan, Chin Sing Yeap, Hoong-Kun Fun.   

Abstract

The asymmetric unit of the title triangulo-triruthenium compound, 2[Ru(3)(C(25)H(22)As(2))(C(18)H(12)Cl(3)P)(CO)(9)]·CHCl(3), consists of two mol-ecules (A and B) of the triangulo-triruthenium complex and one mol-ecule of chloro-form solvent. The bis-(diphenyl-arsino)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 Ru(3) 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 mol-ecule A, while these angles are 60.7 (3), 86.8 (3) and 54.9 (3)° in mol-ecule B. The dihedral angles between the two benzene rings are 87.3 (3) and 89.6 (3)° for the two diphenyl-arsino groups in mol-ecule A and 85.6 (3) and 87.7 (3)° in mol-ecule B. In the crystal packing, the mol-ecules are linked into a three-dimensional framework via inter-molecular C-H⋯O and C-H⋯Cl hydrogen bonds. Weak inter-molecular C-H⋯π inter-actions 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).

Entities:  

Year:  2009        PMID: 21579981      PMCID: PMC2980153          DOI: 10.1107/S1600536809053884

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

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

Experimental

Crystal data

2[Ru3(C25H22As2)(C18H12Cl3P)(CO)9]·CHCl3 M = 2905.69 Orthorhombic, 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 ▶) 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 ▶), 12139 Friedel pairs Flack parameter: 0.480 (7) Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: SAINT (Bruker, 2005 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009 ▶). 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
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
Bruker SMART APEXII CCD area-detector diffractometer27898 independent reflections
Radiation source: fine-focus sealed tube22534 reflections with I > 2σ(I)
graphiteRint = 0.052
φ 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 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)
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.
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*
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)
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)
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
Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯ADAD—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—H4AACg1iii0.932.863.560 (7)133
C4B—H4BACg2iv0.932.683.314 (7)126
C16A—H16ACg3v0.932.853.629 (7)142
C16B—H16BCg2vi0.932.943.591 (7)128
C24A—H24ACg1vii0.932.903.582 (7)131

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) . Cg1 Cg2 and Cg3 are the centroids of the C14A–C19A, C20B–C25B and C1A–C6A benzene rings, respectively.

  3 in total

1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

2.  [μ-Bis(diphenyl-arsino)methane-1:2κAs:As']nona-carbonyl-1κC,2κC,3κC-[tris-(4-fluoro-phen-yl)phosphine-3κP]-triangulo-triruthenium(0).

Authors:  Omar Bin Shawkataly; Imthyaz Ahmed Khan; Chin Sing Yeap; Hoong-Kun Fun
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-11-21

3.  Structure validation in chemical crystallography.

Authors:  Anthony L Spek
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-01-20
  3 in total
  3 in total

1.  Nonacarbonyl-1κC,2κC,3κC-μ-bis-(diphenyl-arsino)methane-1:2κAs:As'-[tris-(2-chloro-eth-yl) phosphite-3κP]-triangulo-triruthenium(0).

Authors:  Omar Bin Shawkataly; Imthyaz Ahmed Khan; Siti Syaida Sirat; Chin Sing Yeap; Hoong-Kun Fun
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-07-14

2.  Undeca-carbonyl-1κC,2κC,3κC-{tris-[4-(methyl-sulfanyl)-phen-yl]arsine-1κAs}-triangulo-triruthenium(0).

Authors:  Omar Bin Shawkataly; Imthyaz Ahmed Khan; Siti Syaida Sirat; Chin Sing Yeap; Hoong-Kun Fun
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-08-04

3.  Dicarbonyl-chlorido(phen-oxy-thio-carbonyl-κC,S)bis-(triphenyl-phosphane-κP)molybdenum(II).

Authors:  Gene-Hsiang Lee; Hsiao-Fen Wang; Kuang-Hway Yih; Shou-Ling Huang
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-12-24
  3 in total

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