Literature DB >> 21579968

(Benzyl-diphenyl-phosphine-3κP)[μ-bis(diphenyl-arsino)methane-1:2κAs:As']nona-carbonyl-1κC,2κC,3κC-triangulo-triruthenium(0).

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

Abstract

The asymmetric unit of the title triangulo-triruthenium compound, [Ru(3)(C(25)H(22)As(2))(C(19)H(17)P)(CO)(9)], consists of two crystallographically independent mol-ecules of the triangulo-triruthenium complex, A and B. 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. With regard to the three phosphine-substituted rings, the benzyl ring makes dihedral angles of 41.0 (3) and 43.9 (3)° with the other two benzene rings in mol-ecule A; these angles are 49.8 (3) and 56.8 (3)° in mol-ecule B. The dihedral angles between the two benzene rings are 76.1 (3) and 88.2 (3)° for the two diphenyl-arsino groups in mol-ecule A and 71.3 (3) and 78.1 (3)° in mol-ecule B. In the crystal packing, mol-ecules are linked into chains via inter-molecular C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π inter-actions further stabilize the crystal structure.

Entities:  

Year:  2009        PMID: 21579968      PMCID: PMC2980180          DOI: 10.1107/S1600536809053045

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 ▶, 1988 ▶). 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

[Ru3(C25H22As2)(C19H17P)(CO)9] M = 1303.86 Monoclinic, a = 13.4824 (2) Å b = 35.5978 (6) Å c = 23.3473 (4) Å β = 117.597 (1)° V = 9930.5 (3) Å3 Z = 8 Mo Kα radiation μ = 2.31 mm−1 T = 100 K 0.48 × 0.16 × 0.03 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2005 ▶) T min = 0.402, T max = 0.945 131198 measured reflections 29004 independent reflections 18757 reflections with I > 2σ(I) R int = 0.071

Refinement

R[F 2 > 2σ(F 2)] = 0.062 wR(F 2) = 0.112 S = 1.05 29004 reflections 1226 parameters H-atom parameters constrained Δρmax = 2.08 e Å−3 Δρmin = −1.19 e Å−3 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/S1600536809053045/sj2709sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536809053045/sj2709Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Ru3(C25H22As2)(C19H17P)(CO)9]F(000) = 5136
Mr = 1303.86Dx = 1.744 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 9933 reflections
a = 13.4824 (2) Åθ = 2.3–29.2°
b = 35.5978 (6) ŵ = 2.31 mm1
c = 23.3473 (4) ÅT = 100 K
β = 117.597 (1)°Plate, red
V = 9930.5 (3) Å30.48 × 0.16 × 0.03 mm
Z = 8
Bruker SMART APEXII CCD area-detector diffractometer29004 independent reflections
Radiation source: fine-focus sealed tube18757 reflections with I > 2σ(I)
graphiteRint = 0.071
φ and ω scansθmax = 30.0°, θmin = 1.1°
Absorption correction: multi-scan (SADABS; Bruker, 2005)h = −18→18
Tmin = 0.402, Tmax = 0.945k = −50→44
131198 measured reflectionsl = −32→22
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.062Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.112H-atom parameters constrained
S = 1.05w = 1/[σ2(Fo2) + (0.0284P)2 + 35.7105P] where P = (Fo2 + 2Fc2)/3
29004 reflections(Δ/σ)max = 0.002
1226 parametersΔρmax = 2.08 e Å3
0 restraintsΔρmin = −1.19 e Å3
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
Ru1A0.76373 (3)0.886190 (11)0.500136 (19)0.01238 (9)
Ru2A0.65234 (3)0.851053 (11)0.375632 (19)0.01265 (9)
Ru3A0.88866 (3)0.859273 (11)0.436070 (19)0.01141 (8)
As1A0.59031 (4)0.886381 (14)0.50761 (2)0.01318 (11)
As2A0.46232 (4)0.864590 (14)0.35505 (2)0.01289 (11)
P1A1.07682 (10)0.86564 (4)0.51268 (6)0.0133 (3)
O1A0.7068 (3)0.96100 (10)0.4261 (2)0.0276 (9)
O2A0.9059 (3)0.92692 (11)0.62601 (19)0.0306 (10)
O3A0.8498 (3)0.81485 (10)0.58225 (18)0.0223 (8)
O4A0.6528 (3)0.78247 (10)0.45562 (18)0.0237 (9)
O5A0.6323 (3)0.80072 (11)0.26561 (19)0.0305 (10)
O6A0.6353 (3)0.92231 (11)0.29746 (19)0.0277 (9)
O7A0.8800 (3)0.93986 (10)0.38671 (17)0.0179 (8)
O8A0.9127 (3)0.83289 (10)0.3200 (2)0.0262 (9)
O9A0.8950 (3)0.77640 (10)0.47621 (18)0.0223 (8)
C1A0.5646 (4)0.92845 (14)0.5528 (2)0.0165 (11)
C2A0.6195 (4)0.96206 (14)0.5569 (2)0.0172 (11)
H10.67000.96350.54020.021*
C3A0.6007 (5)0.99346 (14)0.5852 (3)0.0205 (12)
H20.63881.01570.58810.025*
C4A0.5245 (4)0.99142 (16)0.6092 (3)0.0223 (12)
H30.51111.01240.62830.027*
C5A0.4685 (4)0.95852 (16)0.6050 (3)0.0231 (12)
H40.41700.95750.62100.028*
C6A0.4878 (4)0.92695 (16)0.5773 (3)0.0229 (12)
H50.44970.90470.57490.027*
C7A0.5601 (4)0.84357 (14)0.5489 (3)0.0172 (11)
C8A0.6318 (4)0.83769 (14)0.6143 (3)0.0204 (12)
H60.69050.85430.63690.025*
C9A0.6155 (5)0.80729 (16)0.6456 (3)0.0282 (14)
H70.66240.80360.68950.034*
C10A0.5294 (5)0.78217 (16)0.6117 (3)0.0282 (14)
H10A0.51860.76170.63290.034*
C11A0.4599 (5)0.78746 (15)0.5468 (3)0.0264 (13)
H11A0.40320.77020.52430.032*
C12A0.4733 (4)0.81818 (14)0.5147 (3)0.0209 (12)
H12A0.42520.82190.47110.025*
C13A0.4541 (4)0.89210 (13)0.4250 (2)0.0149 (10)
H13A0.39040.88310.42990.018*
H13B0.44220.91850.41390.018*
C14A0.3564 (4)0.82396 (14)0.3375 (2)0.0166 (11)
C15A0.3831 (4)0.78765 (13)0.3276 (2)0.0152 (11)
H15A0.45310.78260.33070.018*
C16A0.3058 (4)0.75911 (14)0.3130 (2)0.0188 (11)
H16A0.32440.73470.30740.023*
C17A0.2004 (4)0.76683 (15)0.3067 (3)0.0221 (12)
H17A0.14820.74760.29670.026*
C18A0.1729 (5)0.80301 (15)0.3154 (3)0.0277 (14)
H18A0.10240.80820.31130.033*
C19A0.2504 (4)0.83151 (15)0.3301 (3)0.0259 (13)
H19A0.23130.85590.33510.031*
C20A0.3729 (4)0.89564 (14)0.2808 (2)0.0171 (11)
C21A0.3098 (4)0.92572 (15)0.2820 (3)0.0224 (12)
H21A0.31000.93270.32050.027*
C22A0.2450 (5)0.94595 (16)0.2250 (3)0.0303 (14)
H22A0.20360.96660.22620.036*
C23A0.2424 (5)0.93566 (17)0.1681 (3)0.0290 (14)
H23A0.20030.94940.13070.035*
C24A0.3029 (5)0.90466 (16)0.1664 (3)0.0274 (13)
H24A0.29930.89710.12740.033*
C25A0.3686 (4)0.88493 (16)0.2222 (3)0.0243 (12)
H25A0.41020.86440.22070.029*
C26A1.1224 (4)0.90445 (13)0.5703 (2)0.0140 (10)
C27A1.2271 (4)0.90382 (15)0.6253 (3)0.0196 (11)
H27A1.27020.88210.63550.024*
C28A1.2671 (4)0.93504 (15)0.6644 (3)0.0231 (12)
H28A1.33640.93400.70100.028*
C29A1.2053 (4)0.96770 (15)0.6498 (3)0.0214 (12)
H29A1.23340.98880.67600.026*
C30A1.1011 (5)0.96911 (14)0.5959 (3)0.0214 (12)
H30A1.05880.99100.58590.026*
C31A1.0604 (4)0.93770 (13)0.5570 (2)0.0165 (11)
H31A0.99010.93870.52120.020*
C32A1.1319 (4)0.82436 (13)0.5641 (3)0.0162 (11)
C33A1.1788 (4)0.79435 (14)0.5468 (3)0.0232 (12)
H33A1.18930.79620.51030.028*
C34A1.2098 (5)0.76191 (16)0.5831 (3)0.0294 (14)
H34A1.24130.74220.57100.035*
C35A1.1942 (5)0.75856 (15)0.6374 (3)0.0285 (14)
H35A1.21520.73660.66180.034*
C36A1.1470 (4)0.78813 (15)0.6554 (3)0.0230 (12)
H36A1.13620.78610.69180.028*
C37A1.1163 (4)0.82044 (14)0.6186 (3)0.0204 (12)
H37A1.08440.84010.63060.024*
C38A1.1753 (4)0.87114 (14)0.4783 (3)0.0174 (11)
H38A1.25130.87110.51330.021*
H38B1.16760.84970.45080.021*
C39A1.1569 (4)0.90676 (14)0.4392 (3)0.0174 (11)
C40A1.1878 (4)0.94205 (15)0.4688 (3)0.0215 (12)
H40A1.22720.94380.51360.026*
C41A1.1596 (5)0.97433 (15)0.4316 (3)0.0264 (13)
H41A1.17740.99770.45180.032*
C42A1.1057 (5)0.97248 (16)0.3650 (3)0.0270 (13)
H42A1.08620.99440.34050.032*
C43A1.0811 (5)0.93808 (16)0.3351 (3)0.0266 (13)
H43A1.04870.93670.29020.032*
C44A1.1044 (4)0.90529 (15)0.3716 (3)0.0198 (12)
H44A1.08480.88210.35080.024*
C45A0.7269 (4)0.93195 (15)0.4502 (3)0.0190 (12)
C46A0.8544 (4)0.91159 (15)0.5775 (3)0.0185 (11)
C47A0.8161 (4)0.83991 (15)0.5474 (3)0.0170 (11)
C48A0.6587 (4)0.80877 (15)0.4286 (3)0.0193 (12)
C49A0.6364 (4)0.82009 (15)0.3053 (3)0.0197 (12)
C50A0.6473 (4)0.89623 (15)0.3288 (3)0.0198 (12)
C51A0.8788 (4)0.91046 (14)0.4065 (2)0.0137 (10)
C52A0.9062 (4)0.84217 (13)0.3651 (3)0.0161 (11)
C53A0.8882 (4)0.80748 (15)0.4629 (2)0.0161 (11)
Ru1B0.42063 (3)0.640248 (11)0.520022 (19)0.01315 (9)
Ru2B0.30365 (3)0.605718 (11)0.395962 (19)0.01302 (9)
Ru3B0.18372 (3)0.637768 (11)0.460014 (19)0.01191 (8)
As1B0.47520 (4)0.605726 (14)0.38588 (2)0.01345 (11)
As2B0.60936 (4)0.625216 (14)0.53966 (2)0.01376 (11)
P1B−0.00699 (10)0.63514 (4)0.38705 (6)0.0135 (3)
O1B0.4252 (3)0.70809 (10)0.43994 (18)0.0231 (9)
O2B0.4427 (3)0.68995 (11)0.6308 (2)0.0325 (10)
O3B0.4406 (3)0.56760 (11)0.59609 (19)0.0288 (10)
O4B0.3627 (4)0.53067 (11)0.4695 (2)0.0338 (10)
O5B0.1563 (3)0.56302 (11)0.27274 (19)0.0287 (9)
O6B0.2145 (3)0.67645 (10)0.31295 (18)0.0206 (8)
O7B0.1899 (3)0.72067 (10)0.42444 (19)0.0235 (9)
O8B0.1584 (3)0.66850 (10)0.57293 (19)0.0258 (9)
O9B0.1874 (3)0.55697 (10)0.50761 (18)0.0217 (8)
C1B0.4941 (4)0.56427 (14)0.3373 (2)0.0156 (11)
C2B0.4412 (4)0.53019 (14)0.3351 (3)0.0199 (12)
H80.39590.52810.35520.024*
C3B0.4553 (4)0.49962 (14)0.3036 (3)0.0199 (12)
H90.41950.47710.30250.024*
C4B0.5229 (4)0.50231 (15)0.2733 (3)0.0221 (12)
H100.53300.48160.25210.027*
C5B0.5748 (4)0.53597 (15)0.2749 (3)0.0229 (12)
H110.61950.53790.25440.027*
C6B0.5612 (4)0.56703 (14)0.3067 (3)0.0185 (11)
H120.59680.58950.30760.022*
C7B0.5030 (4)0.64876 (13)0.3448 (2)0.0141 (10)
C8B0.4311 (4)0.65480 (15)0.2796 (3)0.0217 (12)
H130.37210.63830.25760.026*
C9B0.4457 (5)0.68492 (15)0.2470 (3)0.0249 (13)
H140.39720.68860.20340.030*
C10B0.5342 (5)0.70981 (15)0.2803 (3)0.0279 (14)
H10B0.54540.73000.25860.033*
C11B0.6051 (5)0.70449 (15)0.3454 (3)0.0299 (14)
H11B0.66300.72140.36760.036*
C12B0.5899 (4)0.67398 (14)0.3777 (3)0.0203 (12)
H12B0.63790.67040.42150.024*
C13B0.6145 (4)0.60009 (14)0.4663 (2)0.0157 (11)
H13C0.67570.61050.46040.019*
H13D0.62940.57360.47600.019*
C14B0.7160 (4)0.66613 (13)0.5608 (2)0.0143 (10)
C15B0.8239 (4)0.65883 (17)0.5704 (3)0.0290 (14)
H15B0.84460.63450.56630.035*
C16B0.9001 (5)0.68764 (16)0.5862 (3)0.0333 (15)
H16B0.97150.68280.59120.040*
C17B0.8714 (5)0.72387 (16)0.5945 (3)0.0262 (13)
H17B0.92320.74330.60520.031*
C18B0.7661 (4)0.73080 (14)0.5868 (3)0.0190 (11)
H18B0.74660.75500.59280.023*
C19B0.6876 (4)0.70188 (14)0.5702 (3)0.0183 (11)
H19B0.61650.70680.56550.022*
C20B0.6949 (4)0.59094 (15)0.6106 (2)0.0172 (11)
C21B0.7132 (5)0.55357 (14)0.6023 (3)0.0232 (12)
H21B0.68620.54380.56090.028*
C22B0.7715 (5)0.53071 (16)0.6554 (3)0.0273 (14)
H22B0.78330.50560.64920.033*
C23B0.8123 (5)0.54455 (17)0.7169 (3)0.0295 (14)
H23B0.85140.52910.75250.035*
C24B0.7941 (5)0.58221 (17)0.7253 (3)0.0321 (15)
H24B0.82150.59190.76680.038*
C25B0.7365 (5)0.60513 (15)0.6732 (3)0.0272 (13)
H25B0.72500.63020.67960.033*
C26B−0.0677 (4)0.59789 (14)0.3264 (2)0.0148 (10)
C27B−0.1726 (4)0.60277 (16)0.2732 (3)0.0217 (12)
H27B−0.20980.62560.26720.026*
C28B−0.2215 (4)0.57395 (15)0.2294 (3)0.0218 (12)
H28B−0.29160.57740.19420.026*
C29B−0.1667 (5)0.54020 (16)0.2378 (3)0.0243 (13)
H29B−0.19950.52100.20790.029*
C30B−0.0630 (4)0.53481 (15)0.2905 (3)0.0220 (12)
H30B−0.02640.51190.29650.026*
C31B−0.0134 (4)0.56385 (14)0.3346 (3)0.0183 (11)
H31B0.05670.56030.36990.022*
C32B−0.0570 (4)0.67746 (14)0.3375 (2)0.0171 (11)
C33B−0.0476 (4)0.68106 (15)0.2808 (3)0.0191 (11)
H33B−0.01940.66110.26710.023*
C34B−0.0793 (4)0.71365 (14)0.2446 (3)0.0216 (12)
H34B−0.07280.71550.20680.026*
C35B−0.1208 (5)0.74337 (15)0.2649 (3)0.0269 (14)
H35B−0.14250.76530.24060.032*
C36B−0.1305 (5)0.74073 (15)0.3214 (3)0.0254 (13)
H36B−0.15840.76090.33490.030*
C37B−0.0985 (4)0.70808 (14)0.3577 (3)0.0213 (12)
H37B−0.10470.70640.39570.026*
C38B−0.1007 (4)0.63267 (14)0.4252 (3)0.0179 (11)
H38C−0.08120.65290.45640.021*
H38D−0.17690.63700.39210.021*
C39B−0.0973 (4)0.59617 (13)0.4590 (2)0.0137 (10)
C40B−0.0375 (4)0.59257 (14)0.5254 (3)0.0205 (12)
H40B0.00640.61250.54990.025*
C41B−0.0420 (5)0.55975 (15)0.5562 (3)0.0257 (13)
H41B−0.00150.55800.60090.031*
C42B−0.1057 (5)0.52972 (16)0.5211 (3)0.0296 (14)
H42B−0.10840.50780.54200.036*
C43B−0.1655 (5)0.53243 (15)0.4546 (3)0.0281 (14)
H43B−0.20900.51230.43060.034*
C44B−0.1606 (4)0.56521 (15)0.4236 (3)0.0231 (12)
H44B−0.19970.56660.37870.028*
C45B0.4183 (4)0.68217 (15)0.4670 (3)0.0171 (11)
C46B0.4380 (4)0.67100 (15)0.5898 (3)0.0194 (12)
C47B0.4260 (4)0.59422 (16)0.5656 (3)0.0207 (12)
C48B0.3413 (4)0.55982 (15)0.4451 (3)0.0205 (12)
C49B0.2097 (4)0.57950 (14)0.3192 (3)0.0196 (12)
C50B0.2496 (4)0.65152 (15)0.3488 (3)0.0169 (11)
C51B0.1914 (4)0.68920 (15)0.4352 (3)0.0174 (11)
C52B0.1674 (4)0.65675 (14)0.5298 (3)0.0167 (11)
C53B0.1895 (4)0.58647 (15)0.4877 (2)0.0167 (11)
U11U22U33U12U13U23
Ru1A0.01086 (18)0.0139 (2)0.0140 (2)−0.00043 (15)0.00720 (16)−0.00093 (16)
Ru2A0.01012 (18)0.0146 (2)0.0134 (2)−0.00005 (15)0.00555 (16)−0.00049 (16)
Ru3A0.00996 (17)0.01185 (19)0.0137 (2)0.00005 (15)0.00659 (16)−0.00070 (16)
As1A0.0117 (2)0.0154 (3)0.0143 (3)−0.00028 (19)0.0076 (2)−0.0005 (2)
As2A0.0106 (2)0.0142 (3)0.0142 (3)−0.00051 (19)0.0059 (2)−0.0009 (2)
P1A0.0112 (6)0.0133 (6)0.0154 (7)0.0002 (5)0.0062 (5)0.0008 (5)
O1A0.038 (2)0.022 (2)0.036 (3)0.0070 (18)0.028 (2)0.0072 (18)
O2A0.031 (2)0.038 (2)0.026 (2)−0.0107 (19)0.016 (2)−0.0140 (19)
O3A0.023 (2)0.020 (2)0.025 (2)0.0014 (16)0.0112 (18)0.0045 (17)
O4A0.023 (2)0.023 (2)0.021 (2)−0.0037 (16)0.0071 (17)0.0047 (17)
O5A0.030 (2)0.039 (2)0.021 (2)0.0047 (19)0.0100 (19)−0.0093 (19)
O6A0.021 (2)0.028 (2)0.030 (2)−0.0028 (17)0.0085 (18)0.0119 (19)
O7A0.0189 (18)0.0174 (19)0.023 (2)−0.0007 (15)0.0141 (17)0.0001 (16)
O8A0.034 (2)0.023 (2)0.032 (2)−0.0047 (17)0.024 (2)−0.0072 (18)
O9A0.026 (2)0.0147 (19)0.029 (2)0.0000 (16)0.0147 (18)0.0019 (16)
C1A0.018 (2)0.015 (3)0.015 (3)0.003 (2)0.006 (2)0.005 (2)
C2A0.019 (3)0.018 (3)0.018 (3)0.005 (2)0.011 (2)0.001 (2)
C3A0.029 (3)0.015 (3)0.020 (3)−0.004 (2)0.013 (2)−0.004 (2)
C4A0.024 (3)0.027 (3)0.016 (3)0.005 (2)0.009 (2)−0.005 (2)
C5A0.020 (3)0.035 (3)0.022 (3)0.002 (2)0.015 (2)−0.005 (3)
C6A0.014 (3)0.032 (3)0.024 (3)0.000 (2)0.010 (2)−0.003 (3)
C7A0.012 (2)0.016 (3)0.026 (3)−0.001 (2)0.011 (2)0.001 (2)
C8A0.018 (3)0.018 (3)0.026 (3)0.001 (2)0.011 (2)0.000 (2)
C9A0.032 (3)0.032 (3)0.028 (3)0.006 (3)0.020 (3)0.004 (3)
C10A0.038 (3)0.021 (3)0.039 (4)0.003 (3)0.029 (3)0.006 (3)
C11A0.031 (3)0.022 (3)0.036 (4)−0.009 (2)0.023 (3)−0.003 (3)
C12A0.022 (3)0.022 (3)0.023 (3)−0.001 (2)0.013 (2)−0.003 (2)
C13A0.014 (2)0.012 (2)0.017 (3)0.0021 (19)0.005 (2)−0.001 (2)
C14A0.012 (2)0.019 (3)0.018 (3)0.002 (2)0.006 (2)0.000 (2)
C15A0.015 (2)0.017 (3)0.015 (3)−0.002 (2)0.008 (2)−0.002 (2)
C16A0.019 (3)0.015 (3)0.020 (3)0.002 (2)0.007 (2)0.001 (2)
C17A0.022 (3)0.022 (3)0.023 (3)−0.007 (2)0.011 (2)−0.002 (2)
C18A0.024 (3)0.027 (3)0.044 (4)−0.005 (2)0.026 (3)−0.007 (3)
C19A0.018 (3)0.016 (3)0.049 (4)0.001 (2)0.021 (3)−0.005 (3)
C20A0.012 (2)0.020 (3)0.017 (3)−0.003 (2)0.005 (2)0.003 (2)
C21A0.023 (3)0.026 (3)0.014 (3)0.005 (2)0.005 (2)−0.006 (2)
C22A0.031 (3)0.021 (3)0.030 (4)0.009 (2)0.007 (3)0.004 (3)
C23A0.024 (3)0.038 (4)0.019 (3)−0.003 (3)0.004 (3)0.008 (3)
C24A0.023 (3)0.037 (3)0.021 (3)−0.004 (3)0.010 (3)0.003 (3)
C25A0.022 (3)0.032 (3)0.020 (3)−0.001 (2)0.011 (2)−0.001 (3)
C26A0.016 (2)0.015 (2)0.015 (3)−0.0058 (19)0.011 (2)−0.002 (2)
C27A0.015 (2)0.026 (3)0.020 (3)−0.003 (2)0.010 (2)0.001 (2)
C28A0.019 (3)0.026 (3)0.021 (3)−0.007 (2)0.006 (2)0.003 (2)
C29A0.025 (3)0.023 (3)0.021 (3)−0.010 (2)0.014 (2)−0.006 (2)
C30A0.025 (3)0.014 (3)0.028 (3)−0.004 (2)0.014 (3)−0.005 (2)
C31A0.016 (2)0.018 (3)0.016 (3)−0.006 (2)0.008 (2)−0.002 (2)
C32A0.011 (2)0.014 (3)0.022 (3)−0.0026 (19)0.006 (2)−0.003 (2)
C33A0.025 (3)0.017 (3)0.029 (3)0.003 (2)0.014 (3)0.002 (2)
C34A0.030 (3)0.019 (3)0.037 (4)0.006 (2)0.014 (3)0.000 (3)
C35A0.027 (3)0.019 (3)0.030 (3)0.002 (2)0.005 (3)0.011 (3)
C36A0.025 (3)0.022 (3)0.018 (3)−0.003 (2)0.007 (2)0.005 (2)
C37A0.019 (3)0.018 (3)0.024 (3)0.000 (2)0.009 (2)−0.002 (2)
C38A0.012 (2)0.017 (3)0.021 (3)0.0002 (19)0.006 (2)−0.001 (2)
C39A0.015 (2)0.022 (3)0.022 (3)0.001 (2)0.014 (2)0.000 (2)
C40A0.019 (3)0.027 (3)0.021 (3)−0.008 (2)0.011 (2)−0.001 (2)
C41A0.029 (3)0.020 (3)0.040 (4)−0.005 (2)0.024 (3)0.002 (3)
C42A0.029 (3)0.030 (3)0.030 (3)0.001 (3)0.021 (3)0.008 (3)
C43A0.028 (3)0.038 (4)0.023 (3)0.004 (3)0.020 (3)0.004 (3)
C44A0.013 (2)0.027 (3)0.023 (3)0.001 (2)0.011 (2)−0.002 (2)
C45A0.020 (3)0.022 (3)0.025 (3)0.001 (2)0.019 (2)−0.005 (2)
C46A0.022 (3)0.022 (3)0.019 (3)0.001 (2)0.017 (2)−0.001 (2)
C47A0.014 (2)0.023 (3)0.015 (3)−0.003 (2)0.007 (2)−0.004 (2)
C48A0.009 (2)0.028 (3)0.015 (3)0.000 (2)0.001 (2)−0.005 (2)
C49A0.010 (2)0.026 (3)0.022 (3)0.000 (2)0.005 (2)0.001 (2)
C50A0.012 (2)0.022 (3)0.023 (3)−0.002 (2)0.006 (2)−0.003 (2)
C51A0.011 (2)0.020 (3)0.012 (3)−0.001 (2)0.007 (2)−0.003 (2)
C52A0.017 (2)0.011 (2)0.018 (3)0.0007 (19)0.007 (2)0.001 (2)
C53A0.011 (2)0.026 (3)0.014 (3)0.003 (2)0.008 (2)−0.003 (2)
Ru1B0.01150 (18)0.0155 (2)0.0125 (2)0.00016 (16)0.00559 (16)−0.00002 (17)
Ru2B0.01322 (19)0.0133 (2)0.0143 (2)−0.00050 (15)0.00783 (17)−0.00109 (16)
Ru3B0.01116 (18)0.01171 (19)0.0140 (2)−0.00040 (15)0.00686 (16)−0.00116 (16)
As1B0.0138 (2)0.0140 (3)0.0142 (3)0.0007 (2)0.0078 (2)−0.0001 (2)
As2B0.0118 (2)0.0154 (3)0.0140 (3)0.00046 (19)0.0059 (2)0.0000 (2)
P1B0.0123 (6)0.0131 (6)0.0159 (7)−0.0003 (5)0.0071 (5)−0.0006 (5)
O1B0.021 (2)0.020 (2)0.024 (2)−0.0029 (16)0.0076 (17)0.0048 (17)
O2B0.040 (3)0.036 (2)0.026 (2)−0.005 (2)0.019 (2)−0.011 (2)
O3B0.026 (2)0.027 (2)0.033 (2)0.0011 (17)0.0131 (19)0.0128 (19)
O4B0.061 (3)0.018 (2)0.034 (3)0.007 (2)0.031 (2)0.0053 (19)
O5B0.024 (2)0.037 (2)0.026 (2)−0.0103 (18)0.0122 (19)−0.0140 (19)
O6B0.022 (2)0.0193 (19)0.023 (2)0.0029 (16)0.0128 (17)0.0023 (17)
O7B0.025 (2)0.016 (2)0.034 (2)−0.0003 (16)0.0175 (19)0.0019 (17)
O8B0.036 (2)0.024 (2)0.025 (2)−0.0056 (18)0.0203 (19)−0.0099 (18)
O9B0.025 (2)0.0172 (19)0.022 (2)−0.0045 (16)0.0111 (17)0.0009 (16)
C1B0.017 (2)0.016 (3)0.012 (3)−0.001 (2)0.006 (2)−0.003 (2)
C2B0.023 (3)0.021 (3)0.021 (3)0.003 (2)0.015 (2)0.002 (2)
C3B0.026 (3)0.012 (3)0.022 (3)0.002 (2)0.011 (2)0.002 (2)
C4B0.023 (3)0.025 (3)0.020 (3)0.005 (2)0.011 (2)−0.004 (2)
C5B0.022 (3)0.032 (3)0.022 (3)0.000 (2)0.017 (3)−0.006 (2)
C6B0.019 (3)0.017 (3)0.022 (3)−0.002 (2)0.012 (2)0.000 (2)
C7B0.017 (2)0.017 (3)0.017 (3)0.002 (2)0.015 (2)0.000 (2)
C8B0.018 (3)0.022 (3)0.025 (3)0.001 (2)0.010 (2)0.000 (2)
C9B0.031 (3)0.022 (3)0.025 (3)0.006 (2)0.016 (3)0.005 (2)
C10B0.042 (4)0.020 (3)0.040 (4)0.000 (3)0.035 (3)0.004 (3)
C11B0.039 (4)0.020 (3)0.041 (4)−0.008 (3)0.027 (3)−0.007 (3)
C12B0.020 (3)0.023 (3)0.019 (3)−0.006 (2)0.011 (2)−0.002 (2)
C13B0.016 (2)0.014 (2)0.014 (3)0.006 (2)0.005 (2)0.000 (2)
C14B0.017 (2)0.016 (3)0.013 (3)−0.005 (2)0.010 (2)−0.002 (2)
C15B0.018 (3)0.031 (3)0.040 (4)−0.003 (2)0.016 (3)−0.010 (3)
C16B0.015 (3)0.029 (3)0.057 (4)−0.005 (2)0.018 (3)−0.012 (3)
C17B0.024 (3)0.028 (3)0.030 (3)−0.008 (2)0.016 (3)−0.006 (3)
C18B0.020 (3)0.016 (3)0.021 (3)0.004 (2)0.010 (2)0.000 (2)
C19B0.017 (3)0.018 (3)0.021 (3)−0.003 (2)0.009 (2)−0.001 (2)
C20B0.008 (2)0.027 (3)0.016 (3)−0.002 (2)0.005 (2)0.004 (2)
C21B0.029 (3)0.018 (3)0.021 (3)0.002 (2)0.010 (3)0.003 (2)
C22B0.028 (3)0.021 (3)0.029 (3)0.001 (2)0.010 (3)0.010 (3)
C23B0.021 (3)0.035 (4)0.024 (3)−0.004 (3)0.002 (3)0.014 (3)
C24B0.037 (4)0.042 (4)0.010 (3)−0.006 (3)0.004 (3)−0.004 (3)
C25B0.037 (3)0.018 (3)0.024 (3)0.002 (2)0.012 (3)0.001 (2)
C26B0.015 (2)0.020 (3)0.011 (2)−0.003 (2)0.008 (2)0.000 (2)
C27B0.016 (3)0.028 (3)0.021 (3)−0.005 (2)0.008 (2)0.001 (2)
C28B0.020 (3)0.033 (3)0.014 (3)−0.010 (2)0.008 (2)−0.003 (2)
C29B0.029 (3)0.029 (3)0.018 (3)−0.014 (2)0.014 (3)−0.012 (2)
C30B0.024 (3)0.020 (3)0.027 (3)−0.003 (2)0.016 (3)−0.009 (2)
C31B0.015 (2)0.025 (3)0.017 (3)−0.004 (2)0.010 (2)−0.003 (2)
C32B0.011 (2)0.019 (3)0.015 (3)−0.003 (2)0.000 (2)0.001 (2)
C33B0.014 (2)0.021 (3)0.021 (3)−0.003 (2)0.007 (2)−0.001 (2)
C34B0.021 (3)0.022 (3)0.019 (3)−0.006 (2)0.007 (2)0.004 (2)
C35B0.026 (3)0.016 (3)0.030 (3)0.001 (2)0.006 (3)0.007 (2)
C36B0.032 (3)0.019 (3)0.025 (3)0.003 (2)0.014 (3)−0.001 (2)
C37B0.024 (3)0.019 (3)0.021 (3)0.002 (2)0.011 (2)0.001 (2)
C38B0.017 (2)0.017 (3)0.027 (3)0.000 (2)0.016 (2)−0.002 (2)
C39B0.012 (2)0.012 (2)0.022 (3)−0.0024 (19)0.012 (2)−0.003 (2)
C40B0.020 (3)0.015 (3)0.032 (3)−0.005 (2)0.017 (3)−0.001 (2)
C41B0.031 (3)0.028 (3)0.022 (3)0.001 (3)0.017 (3)0.002 (3)
C42B0.042 (4)0.018 (3)0.035 (4)−0.005 (3)0.023 (3)0.000 (3)
C43B0.037 (3)0.016 (3)0.037 (4)−0.011 (2)0.022 (3)−0.007 (3)
C44B0.020 (3)0.027 (3)0.027 (3)−0.003 (2)0.014 (3)−0.003 (3)
C45B0.009 (2)0.025 (3)0.016 (3)0.001 (2)0.005 (2)−0.005 (2)
C46B0.016 (3)0.022 (3)0.020 (3)0.002 (2)0.009 (2)0.001 (2)
C47B0.012 (2)0.030 (3)0.022 (3)−0.001 (2)0.010 (2)−0.001 (3)
C48B0.025 (3)0.022 (3)0.020 (3)−0.004 (2)0.016 (2)−0.004 (2)
C49B0.019 (3)0.019 (3)0.026 (3)0.003 (2)0.015 (2)0.004 (2)
C50B0.016 (2)0.021 (3)0.016 (3)−0.003 (2)0.010 (2)−0.006 (2)
C51B0.014 (2)0.019 (3)0.021 (3)0.001 (2)0.010 (2)0.001 (2)
C52B0.012 (2)0.015 (3)0.020 (3)−0.0051 (19)0.006 (2)−0.005 (2)
C53B0.013 (2)0.026 (3)0.014 (3)−0.005 (2)0.008 (2)−0.008 (2)
Ru1A—C46A1.878 (6)Ru1B—C46B1.886 (6)
Ru1A—C47A1.926 (5)Ru1B—C45B1.929 (6)
Ru1A—C45A1.930 (6)Ru1B—C47B1.937 (6)
Ru1A—As1A2.4240 (6)Ru1B—As2B2.4271 (6)
Ru1A—Ru2A2.8679 (6)Ru1B—Ru3B2.8331 (5)
Ru1A—Ru3A2.8855 (6)Ru1B—Ru2B2.8558 (6)
Ru2A—C49A1.905 (6)Ru2B—C49B1.893 (6)
Ru2A—C48A1.924 (6)Ru2B—C50B1.912 (5)
Ru2A—C50A1.928 (6)Ru2B—C48B1.924 (6)
Ru2A—As2A2.4261 (6)Ru2B—As1B2.4308 (6)
Ru2A—Ru3A2.8395 (5)Ru2B—Ru3B2.8970 (6)
Ru3A—C52A1.880 (6)Ru3B—C52B1.869 (6)
Ru3A—C51A1.931 (5)Ru3B—C53B1.927 (5)
Ru3A—C53A1.948 (5)Ru3B—C51B1.937 (5)
Ru3A—P1A2.3414 (13)Ru3B—P1B2.3374 (13)
As1A—C7A1.945 (5)As1B—C7B1.935 (5)
As1A—C1A1.953 (5)As1B—C1B1.949 (5)
As1A—C13A1.962 (5)As1B—C13B1.956 (5)
As2A—C20A1.935 (5)As2B—C14B1.942 (5)
As2A—C14A1.938 (5)As2B—C20B1.947 (5)
As2A—C13A1.952 (5)As2B—C13B1.962 (5)
P1A—C32A1.824 (5)P1B—C32B1.828 (5)
P1A—C26A1.825 (5)P1B—C26B1.833 (5)
P1A—C38A1.854 (5)P1B—C38B1.855 (5)
O1A—C45A1.148 (6)O1B—C45B1.147 (6)
O2A—C46A1.155 (6)O2B—C46B1.147 (6)
O3A—C47A1.149 (6)O3B—C47B1.146 (6)
O4A—C48A1.153 (6)O4B—C48B1.155 (6)
O5A—C49A1.136 (6)O5B—C49B1.147 (6)
O6A—C50A1.146 (6)O6B—C50B1.160 (6)
O7A—C51A1.147 (6)O7B—C51B1.146 (6)
O8A—C52A1.146 (6)O8B—C52B1.148 (6)
O9A—C53A1.142 (6)O9B—C53B1.153 (6)
C1A—C2A1.387 (7)C1B—C6B1.391 (7)
C1A—C6A1.396 (7)C1B—C2B1.396 (7)
C2A—C3A1.381 (7)C2B—C3B1.374 (7)
C2A—H10.9300C2B—H80.9300
C3A—C4A1.381 (7)C3B—C4B1.393 (7)
C3A—H20.9300C3B—H90.9300
C4A—C5A1.372 (8)C4B—C5B1.378 (7)
C4A—H30.9300C4B—H100.9300
C5A—C6A1.380 (7)C5B—C6B1.391 (7)
C5A—H40.9300C5B—H110.9300
C6A—H50.9300C6B—H120.9300
C7A—C8A1.394 (7)C7B—C8B1.390 (7)
C7A—C12A1.399 (7)C7B—C12B1.391 (7)
C8A—C9A1.378 (7)C8B—C9B1.381 (7)
C8A—H60.9300C8B—H130.9300
C9A—C10A1.387 (8)C9B—C10B1.398 (8)
C9A—H70.9300C9B—H140.9300
C10A—C11A1.377 (8)C10B—C11B1.384 (8)
C10A—H10A0.9300C10B—H10B0.9300
C11A—C12A1.384 (7)C11B—C12B1.391 (7)
C11A—H11A0.9300C11B—H11B0.9300
C12A—H12A0.9300C12B—H12B0.9300
C13A—H13A0.9700C13B—H13C0.9700
C13A—H13B0.9700C13B—H13D0.9700
C14A—C19A1.384 (7)C14B—C19B1.375 (7)
C14A—C15A1.390 (7)C14B—C15B1.391 (7)
C15A—C16A1.380 (7)C15B—C16B1.376 (7)
C15A—H15A0.9300C15B—H15B0.9300
C16A—C17A1.387 (7)C16B—C17B1.386 (8)
C16A—H16A0.9300C16B—H16B0.9300
C17A—C18A1.381 (7)C17B—C18B1.369 (7)
C17A—H17A0.9300C17B—H17B0.9300
C18A—C19A1.381 (7)C18B—C19B1.396 (7)
C18A—H18A0.9300C18B—H18B0.9300
C19A—H19A0.9300C19B—H19B0.9300
C20A—C21A1.376 (7)C20B—C21B1.383 (7)
C20A—C25A1.396 (7)C20B—C25B1.396 (7)
C21A—C22A1.405 (7)C21B—C22B1.383 (7)
C21A—H21A0.9300C21B—H21B0.9300
C22A—C23A1.362 (8)C22B—C23B1.371 (8)
C22A—H22A0.9300C22B—H22B0.9300
C23A—C24A1.384 (8)C23B—C24B1.393 (8)
C23A—H23A0.9300C23B—H23B0.9300
C24A—C25A1.380 (8)C24B—C25B1.368 (8)
C24A—H24A0.9300C24B—H24B0.9300
C25A—H25A0.9300C25B—H25B0.9300
C26A—C31A1.398 (7)C26B—C31B1.382 (7)
C26A—C27A1.401 (7)C26B—C27B1.395 (7)
C27A—C28A1.380 (7)C27B—C28B1.381 (7)
C27A—H27A0.9300C27B—H27B0.9300
C28A—C29A1.378 (7)C28B—C29B1.376 (8)
C28A—H28A0.9300C28B—H28B0.9300
C29A—C30A1.387 (7)C29B—C30B1.384 (7)
C29A—H29A0.9300C29B—H29B0.9300
C30A—C31A1.383 (7)C30B—C31B1.392 (7)
C30A—H30A0.9300C30B—H30B0.9300
C31A—H31A0.9300C31B—H31B0.9300
C32A—C37A1.390 (7)C32B—C33B1.391 (7)
C32A—C33A1.393 (7)C32B—C37B1.403 (7)
C33A—C34A1.378 (7)C33B—C34B1.382 (7)
C33A—H33A0.9300C33B—H33B0.9300
C34A—C35A1.382 (8)C34B—C35B1.380 (8)
C34A—H34A0.9300C34B—H34B0.9300
C35A—C36A1.392 (8)C35B—C36B1.387 (8)
C35A—H35A0.9300C35B—H35B0.9300
C36A—C37A1.379 (7)C36B—C37B1.384 (7)
C36A—H36A0.9300C36B—H36B0.9300
C37A—H37A0.9300C37B—H37B0.9300
C38A—C39A1.514 (7)C38B—C39B1.510 (7)
C38A—H38A0.9700C38B—H38C0.9700
C38A—H38B0.9700C38B—H38D0.9700
C39A—C44A1.399 (7)C39B—C40B1.383 (7)
C39A—C40A1.401 (7)C39B—C44B1.404 (7)
C40A—C41A1.383 (7)C40B—C41B1.387 (7)
C40A—H40A0.9300C40B—H40B0.9300
C41A—C42A1.380 (8)C41B—C42B1.378 (8)
C41A—H41A0.9300C41B—H41B0.9300
C42A—C43A1.372 (8)C42B—C43B1.383 (8)
C42A—H42A0.9300C42B—H42B0.9300
C43A—C44A1.393 (7)C43B—C44B1.391 (7)
C43A—H43A0.9300C43B—H43B0.9300
C44A—H44A0.9300C44B—H44B0.9300
C46A—Ru1A—C47A87.6 (2)C46B—Ru1B—C45B93.7 (2)
C46A—Ru1A—C45A92.6 (2)C46B—Ru1B—C47B93.3 (2)
C47A—Ru1A—C45A172.7 (2)C45B—Ru1B—C47B172.8 (2)
C46A—Ru1A—As1A98.57 (16)C46B—Ru1B—As2B105.38 (16)
C47A—Ru1A—As1A94.04 (15)C45B—Ru1B—As2B89.77 (14)
C45A—Ru1A—As1A93.12 (15)C47B—Ru1B—As2B86.61 (15)
C46A—Ru1A—Ru2A170.58 (16)C46B—Ru1B—Ru3B96.06 (15)
C47A—Ru1A—Ru2A95.09 (15)C45B—Ru1B—Ru3B91.56 (14)
C45A—Ru1A—Ru2A83.59 (16)C47B—Ru1B—Ru3B89.53 (15)
As1A—Ru1A—Ru2A90.257 (19)As2B—Ru1B—Ru3B158.39 (2)
C46A—Ru1A—Ru3A112.48 (16)C46B—Ru1B—Ru2B156.29 (15)
C47A—Ru1A—Ru3A82.32 (15)C45B—Ru1B—Ru2B81.09 (15)
C45A—Ru1A—Ru3A90.89 (15)C47B—Ru1B—Ru2B93.21 (16)
As1A—Ru1A—Ru3A148.47 (2)As2B—Ru1B—Ru2B97.74 (2)
Ru2A—Ru1A—Ru3A59.145 (13)Ru3B—Ru1B—Ru2B61.225 (14)
C49A—Ru2A—C48A93.1 (2)C49B—Ru2B—C50B88.1 (2)
C49A—Ru2A—C50A91.9 (2)C49B—Ru2B—C48B91.2 (2)
C48A—Ru2A—C50A174.9 (2)C50B—Ru2B—C48B172.7 (2)
C49A—Ru2A—As2A104.90 (15)C49B—Ru2B—As1B99.08 (16)
C48A—Ru2A—As2A90.66 (15)C50B—Ru2B—As1B94.01 (15)
C50A—Ru2A—As2A88.01 (15)C48B—Ru2B—As1B93.29 (16)
C49A—Ru2A—Ru3A98.08 (15)C49B—Ru2B—Ru1B170.15 (16)
C48A—Ru2A—Ru3A93.17 (15)C50B—Ru2B—Ru1B95.78 (15)
C50A—Ru2A—Ru3A86.14 (15)C48B—Ru2B—Ru1B83.77 (16)
As2A—Ru2A—Ru3A156.46 (2)As1B—Ru2B—Ru1B89.711 (19)
C49A—Ru2A—Ru1A157.34 (15)C49B—Ru2B—Ru3B113.21 (16)
C48A—Ru2A—Ru1A81.00 (15)C50B—Ru2B—Ru3B78.84 (15)
C50A—Ru2A—Ru1A94.32 (16)C48B—Ru2B—Ru3B94.76 (16)
As2A—Ru2A—Ru1A97.08 (2)As1B—Ru2B—Ru3B146.46 (2)
Ru3A—Ru2A—Ru1A60.736 (14)Ru1B—Ru2B—Ru3B59.003 (14)
C52A—Ru3A—C51A90.4 (2)C52B—Ru3B—C53B93.0 (2)
C52A—Ru3A—C53A89.8 (2)C52B—Ru3B—C51B87.9 (2)
C51A—Ru3A—C53A176.3 (2)C53B—Ru3B—C51B175.2 (2)
C52A—Ru3A—P1A99.80 (15)C52B—Ru3B—P1B96.66 (15)
C51A—Ru3A—P1A93.01 (14)C53B—Ru3B—P1B93.83 (15)
C53A—Ru3A—P1A90.56 (15)C51B—Ru3B—P1B90.74 (15)
C52A—Ru3A—Ru2A95.69 (15)C52B—Ru3B—Ru1B96.81 (15)
C51A—Ru3A—Ru2A92.53 (14)C53B—Ru3B—Ru1B90.14 (14)
C53A—Ru3A—Ru2A83.81 (14)C51B—Ru3B—Ru1B85.09 (15)
P1A—Ru3A—Ru2A163.50 (4)P1B—Ru3B—Ru1B165.73 (4)
C52A—Ru3A—Ru1A155.00 (15)C52B—Ru3B—Ru2B155.75 (15)
C51A—Ru3A—Ru1A84.96 (14)C53B—Ru3B—Ru2B81.65 (15)
C53A—Ru3A—Ru1A93.33 (15)C51B—Ru3B—Ru2B95.63 (15)
P1A—Ru3A—Ru1A104.95 (4)P1B—Ru3B—Ru2B107.25 (4)
Ru2A—Ru3A—Ru1A60.119 (14)Ru1B—Ru3B—Ru2B59.772 (14)
C7A—As1A—C1A101.7 (2)C7B—As1B—C1B101.7 (2)
C7A—As1A—C13A104.6 (2)C7B—As1B—C13B103.7 (2)
C1A—As1A—C13A97.5 (2)C1B—As1B—C13B98.9 (2)
C7A—As1A—Ru1A117.66 (14)C7B—As1B—Ru2B117.40 (14)
C1A—As1A—Ru1A117.37 (15)C1B—As1B—Ru2B116.30 (15)
C13A—As1A—Ru1A115.14 (15)C13B—As1B—Ru2B116.16 (15)
C20A—As2A—C14A98.3 (2)C14B—As2B—C20B100.2 (2)
C20A—As2A—C13A102.1 (2)C14B—As2B—C13B104.0 (2)
C14A—As2A—C13A103.2 (2)C20B—As2B—C13B102.1 (2)
C20A—As2A—Ru2A116.95 (15)C14B—As2B—Ru1B118.05 (15)
C14A—As2A—Ru2A120.04 (15)C20B—As2B—Ru1B117.07 (15)
C13A—As2A—Ru2A113.48 (14)C13B—As2B—Ru1B113.18 (14)
C32A—P1A—C26A103.3 (2)C32B—P1B—C26B101.9 (2)
C32A—P1A—C38A102.4 (2)C32B—P1B—C38B102.1 (2)
C26A—P1A—C38A100.1 (2)C26B—P1B—C38B100.2 (2)
C32A—P1A—Ru3A113.06 (16)C32B—P1B—Ru3B112.77 (16)
C26A—P1A—Ru3A120.81 (17)C26B—P1B—Ru3B122.61 (17)
C38A—P1A—Ru3A114.80 (17)C38B—P1B—Ru3B114.57 (18)
C2A—C1A—C6A118.6 (5)C6B—C1B—C2B119.0 (5)
C2A—C1A—As1A118.4 (4)C6B—C1B—As1B122.5 (4)
C6A—C1A—As1A122.9 (4)C2B—C1B—As1B118.5 (4)
C3A—C2A—C1A121.4 (5)C3B—C2B—C1B120.9 (5)
C3A—C2A—H1119.3C3B—C2B—H8119.5
C1A—C2A—H1119.3C1B—C2B—H8119.5
C4A—C3A—C2A119.2 (5)C2B—C3B—C4B120.1 (5)
C4A—C3A—H2120.4C2B—C3B—H9119.9
C2A—C3A—H2120.4C4B—C3B—H9119.9
C5A—C4A—C3A120.2 (5)C5B—C4B—C3B119.2 (5)
C5A—C4A—H3119.9C5B—C4B—H10120.4
C3A—C4A—H3119.9C3B—C4B—H10120.4
C4A—C5A—C6A120.8 (5)C4B—C5B—C6B121.0 (5)
C4A—C5A—H4119.6C4B—C5B—H11119.5
C6A—C5A—H4119.6C6B—C5B—H11119.5
C5A—C6A—C1A119.8 (5)C5B—C6B—C1B119.7 (5)
C5A—C6A—H5120.1C5B—C6B—H12120.1
C1A—C6A—H5120.1C1B—C6B—H12120.1
C8A—C7A—C12A120.0 (5)C8B—C7B—C12B119.2 (5)
C8A—C7A—As1A117.6 (4)C8B—C7B—As1B117.9 (4)
C12A—C7A—As1A122.4 (4)C12B—C7B—As1B122.9 (4)
C9A—C8A—C7A119.9 (5)C9B—C8B—C7B121.2 (5)
C9A—C8A—H6120.0C9B—C8B—H13119.4
C7A—C8A—H6120.0C7B—C8B—H13119.4
C8A—C9A—C10A120.0 (6)C8B—C9B—C10B119.3 (5)
C8A—C9A—H7120.0C8B—C9B—H14120.4
C10A—C9A—H7120.0C10B—C9B—H14120.4
C11A—C10A—C9A120.2 (5)C11B—C10B—C9B120.1 (5)
C11A—C10A—H10A119.9C11B—C10B—H10B120.0
C9A—C10A—H10A119.9C9B—C10B—H10B120.0
C10A—C11A—C12A120.7 (5)C10B—C11B—C12B120.2 (5)
C10A—C11A—H11A119.6C10B—C11B—H11B119.9
C12A—C11A—H11A119.6C12B—C11B—H11B119.9
C11A—C12A—C7A119.1 (5)C11B—C12B—C7B120.1 (5)
C11A—C12A—H12A120.4C11B—C12B—H12B120.0
C7A—C12A—H12A120.4C7B—C12B—H12B120.0
As2A—C13A—As1A112.3 (2)As1B—C13B—As2B112.6 (2)
As2A—C13A—H13A109.1As1B—C13B—H13C109.1
As1A—C13A—H13A109.1As2B—C13B—H13C109.1
As2A—C13A—H13B109.1As1B—C13B—H13D109.1
As1A—C13A—H13B109.1As2B—C13B—H13D109.1
H13A—C13A—H13B107.9H13C—C13B—H13D107.8
C19A—C14A—C15A119.5 (5)C19B—C14B—C15B119.6 (5)
C19A—C14A—As2A119.9 (4)C19B—C14B—As2B120.5 (4)
C15A—C14A—As2A120.5 (4)C15B—C14B—As2B119.8 (4)
C16A—C15A—C14A120.1 (5)C16B—C15B—C14B120.0 (5)
C16A—C15A—H15A120.0C16B—C15B—H15B120.0
C14A—C15A—H15A120.0C14B—C15B—H15B120.0
C15A—C16A—C17A120.0 (5)C15B—C16B—C17B120.6 (5)
C15A—C16A—H16A120.0C15B—C16B—H16B119.7
C17A—C16A—H16A120.0C17B—C16B—H16B119.7
C18A—C17A—C16A120.0 (5)C18B—C17B—C16B119.3 (5)
C18A—C17A—H17A120.0C18B—C17B—H17B120.3
C16A—C17A—H17A120.0C16B—C17B—H17B120.3
C19A—C18A—C17A119.9 (5)C17B—C18B—C19B120.6 (5)
C19A—C18A—H18A120.0C17B—C18B—H18B119.7
C17A—C18A—H18A120.0C19B—C18B—H18B119.7
C18A—C19A—C14A120.5 (5)C14B—C19B—C18B119.8 (5)
C18A—C19A—H19A119.8C14B—C19B—H19B120.1
C14A—C19A—H19A119.8C18B—C19B—H19B120.1
C21A—C20A—C25A119.1 (5)C21B—C20B—C25B118.9 (5)
C21A—C20A—As2A124.1 (4)C21B—C20B—As2B123.9 (4)
C25A—C20A—As2A116.6 (4)C25B—C20B—As2B117.2 (4)
C20A—C21A—C22A119.9 (5)C22B—C21B—C20B120.4 (5)
C20A—C21A—H21A120.0C22B—C21B—H21B119.8
C22A—C21A—H21A120.0C20B—C21B—H21B119.8
C23A—C22A—C21A120.6 (5)C23B—C22B—C21B120.9 (5)
C23A—C22A—H22A119.7C23B—C22B—H22B119.6
C21A—C22A—H22A119.7C21B—C22B—H22B119.6
C22A—C23A—C24A119.5 (5)C22B—C23B—C24B118.8 (5)
C22A—C23A—H23A120.2C22B—C23B—H23B120.6
C24A—C23A—H23A120.2C24B—C23B—H23B120.6
C25A—C24A—C23A120.5 (6)C25B—C24B—C23B120.9 (5)
C25A—C24A—H24A119.7C25B—C24B—H24B119.5
C23A—C24A—H24A119.7C23B—C24B—H24B119.5
C24A—C25A—C20A120.2 (5)C24B—C25B—C20B120.2 (5)
C24A—C25A—H25A119.9C24B—C25B—H25B119.9
C20A—C25A—H25A119.9C20B—C25B—H25B119.9
C31A—C26A—C27A117.5 (5)C31B—C26B—C27B119.1 (5)
C31A—C26A—P1A121.0 (4)C31B—C26B—P1B120.6 (4)
C27A—C26A—P1A121.1 (4)C27B—C26B—P1B120.2 (4)
C28A—C27A—C26A120.9 (5)C28B—C27B—C26B120.4 (5)
C28A—C27A—H27A119.6C28B—C27B—H27B119.8
C26A—C27A—H27A119.6C26B—C27B—H27B119.8
C29A—C28A—C27A120.6 (5)C29B—C28B—C27B120.2 (5)
C29A—C28A—H28A119.7C29B—C28B—H28B119.9
C27A—C28A—H28A119.7C27B—C28B—H28B119.9
C28A—C29A—C30A119.8 (5)C28B—C29B—C30B120.1 (5)
C28A—C29A—H29A120.1C28B—C29B—H29B119.9
C30A—C29A—H29A120.1C30B—C29B—H29B119.9
C31A—C30A—C29A119.5 (5)C29B—C30B—C31B119.8 (5)
C31A—C30A—H30A120.2C29B—C30B—H30B120.1
C29A—C30A—H30A120.2C31B—C30B—H30B120.1
C30A—C31A—C26A121.6 (5)C26B—C31B—C30B120.4 (5)
C30A—C31A—H31A119.2C26B—C31B—H31B119.8
C26A—C31A—H31A119.2C30B—C31B—H31B119.8
C37A—C32A—C33A118.0 (5)C33B—C32B—C37B118.3 (5)
C37A—C32A—P1A119.7 (4)C33B—C32B—P1B120.6 (4)
C33A—C32A—P1A121.9 (4)C37B—C32B—P1B121.0 (4)
C34A—C33A—C32A120.9 (6)C34B—C33B—C32B121.4 (5)
C34A—C33A—H33A119.6C34B—C33B—H33B119.3
C32A—C33A—H33A119.6C32B—C33B—H33B119.3
C33A—C34A—C35A120.3 (5)C35B—C34B—C33B119.5 (5)
C33A—C34A—H34A119.8C35B—C34B—H34B120.2
C35A—C34A—H34A119.8C33B—C34B—H34B120.2
C34A—C35A—C36A119.8 (5)C34B—C35B—C36B120.5 (5)
C34A—C35A—H35A120.1C34B—C35B—H35B119.8
C36A—C35A—H35A120.1C36B—C35B—H35B119.8
C37A—C36A—C35A119.3 (5)C37B—C36B—C35B119.9 (5)
C37A—C36A—H36A120.3C37B—C36B—H36B120.0
C35A—C36A—H36A120.3C35B—C36B—H36B120.0
C36A—C37A—C32A121.7 (5)C36B—C37B—C32B120.4 (5)
C36A—C37A—H37A119.2C36B—C37B—H37B119.8
C32A—C37A—H37A119.2C32B—C37B—H37B119.8
C39A—C38A—P1A113.5 (3)C39B—C38B—P1B115.4 (3)
C39A—C38A—H38A108.9C39B—C38B—H38C108.4
P1A—C38A—H38A108.9P1B—C38B—H38C108.4
C39A—C38A—H38B108.9C39B—C38B—H38D108.4
P1A—C38A—H38B108.9P1B—C38B—H38D108.4
H38A—C38A—H38B107.7H38C—C38B—H38D107.5
C44A—C39A—C40A118.1 (5)C40B—C39B—C44B117.9 (5)
C44A—C39A—C38A120.3 (5)C40B—C39B—C38B121.7 (4)
C40A—C39A—C38A121.6 (5)C44B—C39B—C38B120.3 (5)
C41A—C40A—C39A120.1 (5)C39B—C40B—C41B121.0 (5)
C41A—C40A—H40A119.9C39B—C40B—H40B119.5
C39A—C40A—H40A119.9C41B—C40B—H40B119.5
C42A—C41A—C40A121.1 (5)C42B—C41B—C40B120.7 (6)
C42A—C41A—H41A119.5C42B—C41B—H41B119.6
C40A—C41A—H41A119.5C40B—C41B—H41B119.6
C43A—C42A—C41A119.6 (5)C41B—C42B—C43B119.4 (5)
C43A—C42A—H42A120.2C41B—C42B—H42B120.3
C41A—C42A—H42A120.2C43B—C42B—H42B120.3
C42A—C43A—C44A120.2 (5)C42B—C43B—C44B120.0 (5)
C42A—C43A—H43A119.9C42B—C43B—H43B120.0
C44A—C43A—H43A119.9C44B—C43B—H43B120.0
C43A—C44A—C39A120.8 (5)C43B—C44B—C39B120.9 (5)
C43A—C44A—H44A119.6C43B—C44B—H44B119.5
C39A—C44A—H44A119.6C39B—C44B—H44B119.5
O1A—C45A—Ru1A173.1 (5)O1B—C45B—Ru1B174.1 (4)
O2A—C46A—Ru1A176.5 (5)O2B—C46B—Ru1B176.5 (5)
O3A—C47A—Ru1A171.6 (4)O3B—C47B—Ru1B173.1 (5)
O4A—C48A—Ru2A173.5 (4)O4B—C48B—Ru2B173.8 (5)
O5A—C49A—Ru2A176.2 (5)O5B—C49B—Ru2B177.5 (5)
O6A—C50A—Ru2A174.3 (4)O6B—C50B—Ru2B170.7 (4)
O7A—C51A—Ru3A173.4 (4)O7B—C51B—Ru3B172.4 (5)
O8A—C52A—Ru3A176.6 (5)O8B—C52B—Ru3B179.4 (5)
O9A—C53A—Ru3A173.3 (4)O9B—C53B—Ru3B173.2 (4)
C47A—Ru1A—Ru2A—C49A−55.4 (4)C46B—Ru1B—Ru2B—C50B55.2 (4)
C45A—Ru1A—Ru2A—C49A117.4 (4)C45B—Ru1B—Ru2B—C50B−23.5 (2)
As1A—Ru1A—Ru2A—C49A−149.5 (4)C47B—Ru1B—Ru2B—C50B161.0 (2)
Ru3A—Ru1A—Ru2A—C49A22.5 (4)As2B—Ru1B—Ru2B—C50B−112.02 (15)
C47A—Ru1A—Ru2A—C48A20.9 (2)Ru3B—Ru1B—Ru2B—C50B73.27 (15)
C45A—Ru1A—Ru2A—C48A−166.3 (2)C46B—Ru1B—Ru2B—C48B−117.4 (4)
As1A—Ru1A—Ru2A—C48A−73.19 (15)C45B—Ru1B—Ru2B—C48B163.9 (2)
Ru3A—Ru1A—Ru2A—C48A98.80 (15)C47B—Ru1B—Ru2B—C48B−11.7 (2)
C47A—Ru1A—Ru2A—C50A−161.0 (2)As2B—Ru1B—Ru2B—C48B75.34 (16)
C45A—Ru1A—Ru2A—C50A11.8 (2)Ru3B—Ru1B—Ru2B—C48B−99.38 (16)
As1A—Ru1A—Ru2A—C50A104.88 (15)C46B—Ru1B—Ru2B—As1B149.2 (4)
Ru3A—Ru1A—Ru2A—C50A−83.13 (15)C45B—Ru1B—Ru2B—As1B70.53 (14)
C47A—Ru1A—Ru2A—As2A110.44 (15)C47B—Ru1B—Ru2B—As1B−105.03 (15)
C45A—Ru1A—Ru2A—As2A−76.75 (15)As2B—Ru1B—Ru2B—As1B−18.01 (2)
As1A—Ru1A—Ru2A—As2A16.36 (2)Ru3B—Ru1B—Ru2B—As1B167.27 (2)
Ru3A—Ru1A—Ru2A—As2A−171.65 (2)C46B—Ru1B—Ru2B—Ru3B−18.0 (4)
C47A—Ru1A—Ru2A—Ru3A−77.91 (15)C45B—Ru1B—Ru2B—Ru3B−96.75 (14)
C45A—Ru1A—Ru2A—Ru3A94.90 (15)C47B—Ru1B—Ru2B—Ru3B87.70 (15)
As1A—Ru1A—Ru2A—Ru3A−171.99 (2)As2B—Ru1B—Ru2B—Ru3B174.72 (2)
C49A—Ru2A—Ru3A—C52A15.2 (2)C46B—Ru1B—Ru3B—C52B−13.9 (2)
C48A—Ru2A—Ru3A—C52A108.8 (2)C45B—Ru1B—Ru3B—C52B−107.8 (2)
C50A—Ru2A—Ru3A—C52A−76.2 (2)C47B—Ru1B—Ru3B—C52B79.4 (2)
As2A—Ru2A—Ru3A—C52A−152.18 (16)As2B—Ru1B—Ru3B—C52B158.95 (16)
Ru1A—Ru2A—Ru3A—C52A−173.33 (15)Ru2B—Ru1B—Ru3B—C52B173.30 (15)
C49A—Ru2A—Ru3A—C51A105.8 (2)C46B—Ru1B—Ru3B—C53B−107.0 (2)
C48A—Ru2A—Ru3A—C51A−160.6 (2)C45B—Ru1B—Ru3B—C53B159.2 (2)
C50A—Ru2A—Ru3A—C51A14.4 (2)C47B—Ru1B—Ru3B—C53B−13.7 (2)
As2A—Ru2A—Ru3A—C51A−61.56 (16)As2B—Ru1B—Ru3B—C53B65.89 (16)
Ru1A—Ru2A—Ru3A—C51A−82.71 (15)Ru2B—Ru1B—Ru3B—C53B80.24 (15)
C49A—Ru2A—Ru3A—C53A−74.0 (2)C46B—Ru1B—Ru3B—C51B73.4 (2)
C48A—Ru2A—Ru3A—C53A19.6 (2)C45B—Ru1B—Ru3B—C51B−20.5 (2)
C50A—Ru2A—Ru3A—C53A−165.4 (2)C47B—Ru1B—Ru3B—C51B166.6 (2)
As2A—Ru2A—Ru3A—C53A118.60 (16)As2B—Ru1B—Ru3B—C51B−113.79 (17)
Ru1A—Ru2A—Ru3A—C53A97.45 (15)Ru2B—Ru1B—Ru3B—C51B−99.44 (16)
C49A—Ru2A—Ru3A—P1A−144.6 (2)C46B—Ru1B—Ru3B—P1B146.8 (2)
C48A—Ru2A—Ru3A—P1A−51.0 (2)C45B—Ru1B—Ru3B—P1B52.9 (2)
C50A—Ru2A—Ru3A—P1A124.0 (2)C47B—Ru1B—Ru3B—P1B−120.0 (2)
As2A—Ru2A—Ru3A—P1A47.96 (15)As2B—Ru1B—Ru3B—P1B−40.38 (17)
Ru1A—Ru2A—Ru3A—P1A26.81 (13)Ru2B—Ru1B—Ru3B—P1B−26.04 (15)
C49A—Ru2A—Ru3A—Ru1A−171.45 (16)C46B—Ru1B—Ru3B—Ru2B172.81 (16)
C48A—Ru2A—Ru3A—Ru1A−77.84 (16)C45B—Ru1B—Ru3B—Ru2B78.95 (15)
C50A—Ru2A—Ru3A—Ru1A97.14 (16)C47B—Ru1B—Ru3B—Ru2B−93.92 (16)
As2A—Ru2A—Ru3A—Ru1A21.15 (5)As2B—Ru1B—Ru3B—Ru2B−14.35 (6)
C46A—Ru1A—Ru3A—C52A−159.3 (4)C49B—Ru2B—Ru3B—C52B156.8 (4)
C47A—Ru1A—Ru3A—C52A116.5 (4)C50B—Ru2B—Ru3B—C52B−120.2 (4)
C45A—Ru1A—Ru3A—C52A−66.1 (4)C48B—Ru2B—Ru3B—C52B63.4 (4)
As1A—Ru1A—Ru3A—C52A31.3 (4)As1B—Ru2B—Ru3B—C52B−39.9 (4)
Ru2A—Ru1A—Ru3A—C52A15.9 (3)Ru1B—Ru2B—Ru3B—C52B−16.4 (4)
C46A—Ru1A—Ru3A—C51A−79.3 (2)C49B—Ru2B—Ru3B—C53B78.1 (2)
C47A—Ru1A—Ru3A—C51A−163.5 (2)C50B—Ru2B—Ru3B—C53B161.1 (2)
C45A—Ru1A—Ru3A—C51A13.9 (2)C48B—Ru2B—Ru3B—C53B−15.3 (2)
As1A—Ru1A—Ru3A—C51A111.30 (15)As1B—Ru2B—Ru3B—C53B−118.56 (15)
Ru2A—Ru1A—Ru3A—C51A95.84 (14)Ru1B—Ru2B—Ru3B—C53B−95.07 (15)
C46A—Ru1A—Ru3A—C53A103.9 (2)C49B—Ru2B—Ru3B—C51B−105.8 (2)
C47A—Ru1A—Ru3A—C53A19.7 (2)C50B—Ru2B—Ru3B—C51B−22.8 (2)
C45A—Ru1A—Ru3A—C53A−162.9 (2)C48B—Ru2B—Ru3B—C51B160.8 (2)
As1A—Ru1A—Ru3A—C53A−65.45 (15)As1B—Ru2B—Ru3B—C51B57.47 (16)
Ru2A—Ru1A—Ru3A—C53A−80.91 (15)Ru1B—Ru2B—Ru3B—C51B80.97 (15)
C46A—Ru1A—Ru3A—P1A12.45 (18)C49B—Ru2B—Ru3B—P1B−13.29 (17)
C47A—Ru1A—Ru3A—P1A−71.73 (15)C50B—Ru2B—Ru3B—P1B69.71 (15)
C45A—Ru1A—Ru3A—P1A105.63 (16)C48B—Ru2B—Ru3B—P1B−106.70 (16)
As1A—Ru1A—Ru3A—P1A−156.93 (5)As1B—Ru2B—Ru3B—P1B150.00 (5)
Ru2A—Ru1A—Ru3A—P1A−172.38 (4)Ru1B—Ru2B—Ru3B—P1B173.50 (4)
C46A—Ru1A—Ru3A—Ru2A−175.17 (17)C49B—Ru2B—Ru3B—Ru1B173.21 (17)
C47A—Ru1A—Ru3A—Ru2A100.66 (15)C50B—Ru2B—Ru3B—Ru1B−103.79 (15)
C45A—Ru1A—Ru3A—Ru2A−81.99 (16)C48B—Ru2B—Ru3B—Ru1B79.80 (16)
As1A—Ru1A—Ru3A—Ru2A15.46 (4)As1B—Ru2B—Ru3B—Ru1B−23.50 (4)
C46A—Ru1A—As1A—C7A−91.6 (2)C49B—Ru2B—As1B—C7B93.1 (2)
C47A—Ru1A—As1A—C7A−3.4 (2)C50B—Ru2B—As1B—C7B4.4 (2)
C45A—Ru1A—As1A—C7A175.3 (2)C48B—Ru2B—As1B—C7B−175.2 (2)
Ru2A—Ru1A—As1A—C7A91.74 (18)Ru1B—Ru2B—As1B—C7B−91.41 (17)
Ru3A—Ru1A—As1A—C7A78.52 (18)Ru3B—Ru2B—As1B—C7B−71.42 (17)
C46A—Ru1A—As1A—C1A30.4 (2)C49B—Ru2B—As1B—C1B−27.7 (2)
C47A—Ru1A—As1A—C1A118.6 (2)C50B—Ru2B—As1B—C1B−116.4 (2)
C45A—Ru1A—As1A—C1A−62.7 (2)C48B—Ru2B—As1B—C1B64.1 (2)
Ru2A—Ru1A—As1A—C1A−146.32 (16)Ru1B—Ru2B—As1B—C1B147.84 (17)
Ru3A—Ru1A—As1A—C1A−159.54 (16)Ru3B—Ru2B—As1B—C1B167.82 (17)
C46A—Ru1A—As1A—C13A144.3 (2)C49B—Ru2B—As1B—C13B−143.5 (2)
C47A—Ru1A—As1A—C13A−127.5 (2)C50B—Ru2B—As1B—C13B127.8 (2)
C45A—Ru1A—As1A—C13A51.2 (2)C48B—Ru2B—As1B—C13B−51.7 (2)
Ru2A—Ru1A—As1A—C13A−32.36 (15)Ru1B—Ru2B—As1B—C13B32.06 (16)
Ru3A—Ru1A—As1A—C13A−45.58 (16)Ru3B—Ru2B—As1B—C13B52.04 (17)
C49A—Ru2A—As2A—C20A−67.3 (2)C46B—Ru1B—As2B—C14B−48.8 (2)
C48A—Ru2A—As2A—C20A−160.7 (2)C45B—Ru1B—As2B—C14B45.0 (2)
C50A—Ru2A—As2A—C20A24.2 (2)C47B—Ru1B—As2B—C14B−141.3 (2)
Ru3A—Ru2A—As2A—C20A99.81 (18)Ru3B—Ru1B—As2B—C14B138.59 (17)
Ru1A—Ru2A—As2A—C20A118.31 (17)Ru2B—Ru1B—As2B—C14B125.93 (17)
C49A—Ru2A—As2A—C14A51.5 (2)C46B—Ru1B—As2B—C20B71.0 (2)
C48A—Ru2A—As2A—C14A−41.9 (2)C45B—Ru1B—As2B—C20B164.7 (2)
C50A—Ru2A—As2A—C14A143.0 (2)C47B—Ru1B—As2B—C20B−21.5 (2)
Ru3A—Ru2A—As2A—C14A−141.37 (18)Ru3B—Ru1B—As2B—C20B−101.62 (19)
Ru1A—Ru2A—As2A—C14A−122.88 (18)Ru2B—Ru1B—As2B—C20B−114.28 (18)
C49A—Ru2A—As2A—C13A174.2 (2)C46B—Ru1B—As2B—C13B−170.6 (2)
C48A—Ru2A—As2A—C13A80.8 (2)C45B—Ru1B—As2B—C13B−76.9 (2)
C50A—Ru2A—As2A—C13A−94.3 (2)C47B—Ru1B—As2B—C13B96.9 (2)
Ru3A—Ru2A—As2A—C13A−18.73 (17)Ru3B—Ru1B—As2B—C13B16.78 (18)
Ru1A—Ru2A—As2A—C13A−0.23 (16)Ru2B—Ru1B—As2B—C13B4.12 (16)
C52A—Ru3A—P1A—C32A−94.6 (2)C52B—Ru3B—P1B—C32B93.2 (2)
C51A—Ru3A—P1A—C32A174.5 (2)C53B—Ru3B—P1B—C32B−173.3 (2)
C53A—Ru3A—P1A—C32A−4.7 (2)C51B—Ru3B—P1B—C32B5.3 (2)
Ru2A—Ru3A—P1A—C32A65.0 (2)Ru1B—Ru3B—P1B—C32B−67.5 (3)
Ru1A—Ru3A—P1A—C32A88.89 (19)Ru2B—Ru3B—P1B—C32B−90.86 (19)
C52A—Ru3A—P1A—C26A142.4 (2)C52B—Ru3B—P1B—C26B−144.6 (2)
C51A—Ru3A—P1A—C26A51.5 (2)C53B—Ru3B—P1B—C26B−51.1 (2)
C53A—Ru3A—P1A—C26A−127.7 (2)C51B—Ru3B—P1B—C26B127.5 (2)
Ru2A—Ru3A—P1A—C26A−58.0 (2)Ru1B—Ru3B—P1B—C26B54.8 (3)
Ru1A—Ru3A—P1A—C26A−34.08 (19)Ru2B—Ru3B—P1B—C26B31.4 (2)
C52A—Ru3A—P1A—C38A22.4 (2)C52B—Ru3B—P1B—C38B−23.0 (2)
C51A—Ru3A—P1A—C38A−68.5 (2)C53B—Ru3B—P1B—C38B70.5 (2)
C53A—Ru3A—P1A—C38A112.3 (2)C51B—Ru3B—P1B—C38B−111.0 (2)
Ru2A—Ru3A—P1A—C38A−177.95 (18)Ru1B—Ru3B—P1B—C38B176.30 (19)
Ru1A—Ru3A—P1A—C38A−154.08 (17)Ru2B—Ru3B—P1B—C38B152.90 (17)
C7A—As1A—C1A—C2A153.9 (4)C7B—As1B—C1B—C6B26.2 (5)
C13A—As1A—C1A—C2A−99.4 (4)C13B—As1B—C1B—C6B−79.9 (4)
Ru1A—As1A—C1A—C2A24.0 (4)Ru2B—As1B—C1B—C6B155.0 (4)
C7A—As1A—C1A—C6A−30.5 (5)C7B—As1B—C1B—C2B−156.0 (4)
C13A—As1A—C1A—C6A76.2 (4)C13B—As1B—C1B—C2B97.9 (4)
Ru1A—As1A—C1A—C6A−160.4 (4)Ru2B—As1B—C1B—C2B−27.2 (4)
C6A—C1A—C2A—C3A0.9 (8)C6B—C1B—C2B—C3B0.4 (8)
As1A—C1A—C2A—C3A176.7 (4)As1B—C1B—C2B—C3B−177.5 (4)
C1A—C2A—C3A—C4A−0.8 (8)C1B—C2B—C3B—C4B0.0 (8)
C2A—C3A—C4A—C5A0.2 (8)C2B—C3B—C4B—C5B−0.4 (8)
C3A—C4A—C5A—C6A0.5 (8)C3B—C4B—C5B—C6B0.5 (8)
C4A—C5A—C6A—C1A−0.4 (8)C4B—C5B—C6B—C1B−0.2 (8)
C2A—C1A—C6A—C5A−0.2 (8)C2B—C1B—C6B—C5B−0.3 (8)
As1A—C1A—C6A—C5A−175.8 (4)As1B—C1B—C6B—C5B177.5 (4)
C1A—As1A—C7A—C8A−65.2 (4)C1B—As1B—C7B—C8B62.4 (4)
C13A—As1A—C7A—C8A−166.3 (4)C13B—As1B—C7B—C8B164.7 (4)
Ru1A—As1A—C7A—C8A64.5 (4)Ru2B—As1B—C7B—C8B−65.8 (4)
C1A—As1A—C7A—C12A117.6 (4)C1B—As1B—C7B—C12B−118.9 (4)
C13A—As1A—C7A—C12A16.5 (5)C13B—As1B—C7B—C12B−16.6 (5)
Ru1A—As1A—C7A—C12A−112.7 (4)Ru2B—As1B—C7B—C12B113.0 (4)
C12A—C7A—C8A—C9A−1.4 (8)C12B—C7B—C8B—C9B1.2 (8)
As1A—C7A—C8A—C9A−178.6 (4)As1B—C7B—C8B—C9B−180.0 (4)
C7A—C8A—C9A—C10A1.3 (8)C7B—C8B—C9B—C10B−0.3 (8)
C8A—C9A—C10A—C11A0.0 (9)C8B—C9B—C10B—C11B−0.9 (8)
C9A—C10A—C11A—C12A−1.3 (9)C9B—C10B—C11B—C12B1.2 (9)
C10A—C11A—C12A—C7A1.2 (8)C10B—C11B—C12B—C7B−0.3 (8)
C8A—C7A—C12A—C11A0.1 (8)C8B—C7B—C12B—C11B−0.9 (8)
As1A—C7A—C12A—C11A177.2 (4)As1B—C7B—C12B—C11B−179.7 (4)
C20A—As2A—C13A—As1A−148.4 (2)C7B—As1B—C13B—As2B94.8 (3)
C14A—As2A—C13A—As1A109.8 (3)C1B—As1B—C13B—As2B−160.8 (3)
Ru2A—As2A—C13A—As1A−21.7 (3)Ru2B—As1B—C13B—As2B−35.6 (3)
C7A—As1A—C13A—As2A−92.1 (3)C14B—As2B—C13B—As1B−112.5 (3)
C1A—As1A—C13A—As2A163.7 (3)C20B—As2B—C13B—As1B143.7 (2)
Ru1A—As1A—C13A—As2A38.6 (3)Ru1B—As2B—C13B—As1B16.9 (3)
C20A—As2A—C14A—C19A−56.5 (5)C20B—As2B—C14B—C19B−122.3 (4)
C13A—As2A—C14A—C19A48.2 (5)C13B—As2B—C14B—C19B132.3 (4)
Ru2A—As2A—C14A—C19A175.7 (4)Ru1B—As2B—C14B—C19B6.0 (5)
C20A—As2A—C14A—C15A118.7 (4)C20B—As2B—C14B—C15B53.7 (5)
C13A—As2A—C14A—C15A−136.7 (4)C13B—As2B—C14B—C15B−51.7 (5)
Ru2A—As2A—C14A—C15A−9.2 (5)Ru1B—As2B—C14B—C15B−178.0 (4)
C19A—C14A—C15A—C16A−2.7 (8)C19B—C14B—C15B—C16B−3.2 (9)
As2A—C14A—C15A—C16A−177.9 (4)As2B—C14B—C15B—C16B−179.3 (5)
C14A—C15A—C16A—C17A1.6 (8)C14B—C15B—C16B—C17B2.0 (10)
C15A—C16A—C17A—C18A−0.4 (8)C15B—C16B—C17B—C18B−0.1 (10)
C16A—C17A—C18A—C19A0.2 (9)C16B—C17B—C18B—C19B−0.6 (9)
C17A—C18A—C19A—C14A−1.3 (9)C15B—C14B—C19B—C18B2.5 (8)
C15A—C14A—C19A—C18A2.5 (9)As2B—C14B—C19B—C18B178.5 (4)
As2A—C14A—C19A—C18A177.7 (5)C17B—C18B—C19B—C14B−0.6 (8)
C14A—As2A—C20A—C21A97.1 (5)C14B—As2B—C20B—C21B−127.7 (4)
C13A—As2A—C20A—C21A−8.4 (5)C13B—As2B—C20B—C21B−20.8 (5)
Ru2A—As2A—C20A—C21A−132.9 (4)Ru1B—As2B—C20B—C21B103.4 (4)
C14A—As2A—C20A—C25A−79.1 (4)C14B—As2B—C20B—C25B54.5 (4)
C13A—As2A—C20A—C25A175.4 (4)C13B—As2B—C20B—C25B161.4 (4)
Ru2A—As2A—C20A—C25A50.9 (4)Ru1B—As2B—C20B—C25B−74.4 (4)
C25A—C20A—C21A—C22A−2.1 (8)C25B—C20B—C21B—C22B0.2 (8)
As2A—C20A—C21A—C22A−178.2 (4)As2B—C20B—C21B—C22B−177.6 (4)
C20A—C21A—C22A—C23A1.2 (9)C20B—C21B—C22B—C23B−0.1 (9)
C21A—C22A—C23A—C24A0.9 (9)C21B—C22B—C23B—C24B−0.1 (9)
C22A—C23A—C24A—C25A−2.2 (9)C22B—C23B—C24B—C25B0.1 (9)
C23A—C24A—C25A—C20A1.3 (8)C23B—C24B—C25B—C20B0.0 (9)
C21A—C20A—C25A—C24A0.9 (8)C21B—C20B—C25B—C24B−0.1 (8)
As2A—C20A—C25A—C24A177.3 (4)As2B—C20B—C25B—C24B177.8 (5)
C32A—P1A—C26A—C31A−150.9 (4)C32B—P1B—C26B—C31B149.0 (4)
C38A—P1A—C26A—C31A103.7 (4)C38B—P1B—C26B—C31B−106.2 (4)
Ru3A—P1A—C26A—C31A−23.4 (5)Ru3B—P1B—C26B—C31B21.8 (5)
C32A—P1A—C26A—C27A37.1 (5)C32B—P1B—C26B—C27B−34.8 (5)
C38A—P1A—C26A—C27A−68.4 (4)C38B—P1B—C26B—C27B70.0 (5)
Ru3A—P1A—C26A—C27A164.6 (3)Ru3B—P1B—C26B—C27B−161.9 (3)
C31A—C26A—C27A—C28A−0.4 (8)C31B—C26B—C27B—C28B0.1 (8)
P1A—C26A—C27A—C28A171.9 (4)P1B—C26B—C27B—C28B−176.2 (4)
C26A—C27A—C28A—C29A−0.7 (8)C26B—C27B—C28B—C29B−0.4 (8)
C27A—C28A—C29A—C30A1.1 (8)C27B—C28B—C29B—C30B0.8 (8)
C28A—C29A—C30A—C31A−0.4 (8)C28B—C29B—C30B—C31B−1.0 (8)
C29A—C30A—C31A—C26A−0.7 (8)C27B—C26B—C31B—C30B−0.3 (8)
C27A—C26A—C31A—C30A1.1 (8)P1B—C26B—C31B—C30B176.1 (4)
P1A—C26A—C31A—C30A−171.2 (4)C29B—C30B—C31B—C26B0.7 (8)
C26A—P1A—C32A—C37A47.6 (4)C26B—P1B—C32B—C33B−47.7 (4)
C38A—P1A—C32A—C37A151.2 (4)C38B—P1B—C32B—C33B−151.0 (4)
Ru3A—P1A—C32A—C37A−84.6 (4)Ru3B—P1B—C32B—C33B85.6 (4)
C26A—P1A—C32A—C33A−139.7 (4)C26B—P1B—C32B—C37B136.7 (4)
C38A—P1A—C32A—C33A−36.0 (5)C38B—P1B—C32B—C37B33.4 (5)
Ru3A—P1A—C32A—C33A88.1 (4)Ru3B—P1B—C32B—C37B−90.0 (4)
C37A—C32A—C33A—C34A−0.7 (8)C37B—C32B—C33B—C34B−0.7 (7)
P1A—C32A—C33A—C34A−173.5 (4)P1B—C32B—C33B—C34B−176.5 (4)
C32A—C33A—C34A—C35A0.3 (9)C32B—C33B—C34B—C35B0.2 (8)
C33A—C34A—C35A—C36A0.0 (9)C33B—C34B—C35B—C36B0.2 (8)
C34A—C35A—C36A—C37A0.0 (8)C34B—C35B—C36B—C37B−0.1 (8)
C35A—C36A—C37A—C32A−0.4 (8)C35B—C36B—C37B—C32B−0.4 (8)
C33A—C32A—C37A—C36A0.7 (8)C33B—C32B—C37B—C36B0.8 (8)
P1A—C32A—C37A—C36A173.7 (4)P1B—C32B—C37B—C36B176.5 (4)
C32A—P1A—C38A—C39A−173.0 (4)C32B—P1B—C38B—C39B167.8 (4)
C26A—P1A—C38A—C39A−66.9 (4)C26B—P1B—C38B—C39B63.2 (4)
Ru3A—P1A—C38A—C39A64.1 (4)Ru3B—P1B—C38B—C39B−69.9 (4)
P1A—C38A—C39A—C44A−104.1 (5)P1B—C38B—C39B—C40B100.8 (5)
P1A—C38A—C39A—C40A73.6 (5)P1B—C38B—C39B—C44B−82.6 (5)
C44A—C39A—C40A—C41A4.3 (7)C44B—C39B—C40B—C41B−1.5 (7)
C38A—C39A—C40A—C41A−173.5 (5)C38B—C39B—C40B—C41B175.1 (5)
C39A—C40A—C41A—C42A−3.0 (8)C39B—C40B—C41B—C42B0.5 (8)
C40A—C41A—C42A—C43A−1.0 (8)C40B—C41B—C42B—C43B0.1 (9)
C41A—C42A—C43A—C44A3.7 (8)C41B—C42B—C43B—C44B0.3 (9)
C42A—C43A—C44A—C39A−2.4 (8)C42B—C43B—C44B—C39B−1.4 (8)
C40A—C39A—C44A—C43A−1.6 (7)C40B—C39B—C44B—C43B2.0 (8)
C38A—C39A—C44A—C43A176.2 (5)C38B—C39B—C44B—C43B−174.7 (5)
Cg1, Cg2, Cg3 and Cg4 are the centroids of the C1B–C6B, C1A–C6A, C26A–C31A and C26B–C31B benzene rings, respectively.
D—H···AD—HH···AD···AD—H···A
C16A—H16A···O6B0.932.593.189 (6)123
C30A—H30A···O7Ai0.932.583.261 (6)130
C42B—H42B···O9Bii0.932.583.241 (7)129
C28A—H28A···Cg1iii0.932.723.570 (7)152
C28B—H28B···Cg2iv0.932.873.648 (7)142
C40A—H40A···Cg30.932.773.474 (7)133
C44B—H44B···Cg40.932.943.615 (7)130
Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯ADAD—H⋯A
C16A—H16A⋯O6B0.932.593.189 (6)123
C30A—H30A⋯O7Ai0.932.583.261 (6)130
C42B—H42B⋯O9Bii0.932.583.241 (7)129
C28A—H28ACg1iii0.932.723.570 (7)152
C28B—H28BCg2iv0.932.873.648 (7)142
C40A—H40ACg30.932.773.474 (7)133
C44B—H44BCg40.932.943.615 (7)130

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) . Cg1, Cg2, Cg3 and Cg4 are the centroids of the C1B–C6B, C1A–C6A, C26A–C31A and C26B–C31B 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

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