Literature DB >> 21579683

[μ-Bis(diphenyl-arsino)methane-1:2κAs:As']nona-carbonyl-1κC,2κC,3κC-(triphenyl phosphite-3κP)-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(18)H(15)O(3)P)(CO)(9)], contains two crystallographically independent but similar mol-ecules. The bis-(diphenyl-arsino)methane ligand bridges an Ru-Ru bond and the monodentate phosphite ligand bonds to the third Ru atom. Both the phosphite 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. One of the triphenyl-phosphite benzene rings in one of the mol-ecules is disordered over two positions with refined site occupancies of 0.60 (3) and 0.40 (3). In the crystal packing, the mol-ecules are stacked along a axis. Intra-molecular C-H⋯O hydrogen bonds stabilize the mol-ecular structure and weak inter-molecular C-H⋯π inter-actions further stabilize the crystal structure. The crystal studied was a non-merohedral twin, the refined ratio of the twin components being 0.618 (1):0.382 (1).

Entities:  

Year:  2010        PMID: 21579683      PMCID: PMC2979706          DOI: 10.1107/S1600536810001200

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

[Ru3(C25H22As2)(C18H15O3P)(CO)9] M = 1337.84 Monoclinic, a = 15.6537 (3) Å b = 21.3662 (4) Å c = 30.1698 (6) Å β = 90.125 (1)° V = 10090.6 (3) Å3 Z = 8 Mo Kα radiation μ = 2.28 mm−1 T = 100 K 0.25 × 0.23 × 0.04 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2005 ▶) T min = 0.604, T max = 0.918 235438 measured reflections 29385 independent reflections 22171 reflections with I > 2σ(I) R int = 0.080

Refinement

R[F 2 > 2σ(F 2)] = 0.059 wR(F 2) = 0.132 S = 1.07 29385 reflections 1275 parameters 174 restraints H-atom parameters constrained Δρmax = 2.75 e Å−3 Δρmin = −2.02 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/S1600536810001200/tk2607sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536810001200/tk2607Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Ru3(C25H22As2)(C18H15O3P)(CO)9]F(000) = 5264
Mr = 1337.84Dx = 1.761 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 9830 reflections
a = 15.6537 (3) Åθ = 2.4–29.2°
b = 21.3662 (4) ŵ = 2.28 mm1
c = 30.1698 (6) ÅT = 100 K
β = 90.125 (1)°Block, red
V = 10090.6 (3) Å30.25 × 0.23 × 0.04 mm
Z = 8
Bruker SMART APEXII CCD area-detector diffractometer29385 independent reflections
Radiation source: fine-focus sealed tube22171 reflections with I > 2σ(I)
graphiteRint = 0.080
φ and ω scansθmax = 30.0°, θmin = 1.0°
Absorption correction: multi-scan (SADABS; Bruker, 2005)h = −21→21
Tmin = 0.604, Tmax = 0.918k = −30→29
235438 measured reflectionsl = −41→42
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.059Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.132H-atom parameters constrained
S = 1.07w = 1/[σ2(Fo2) + (0.0243P)2 + 105.7247P] where P = (Fo2 + 2Fc2)/3
29385 reflections(Δ/σ)max = 0.001
1275 parametersΔρmax = 2.75 e Å3
174 restraintsΔρmin = −2.02 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*/UeqOcc. (<1)
Ru1A0.28173 (4)0.76421 (3)0.64426 (2)0.01788 (13)
Ru2A0.26063 (4)0.89647 (3)0.63474 (2)0.01799 (13)
Ru3A0.35416 (4)0.82713 (3)0.57030 (2)0.01912 (13)
As1A0.20409 (5)0.76330 (3)0.71392 (3)0.01517 (16)
As2A0.15232 (6)0.90735 (3)0.69237 (3)0.01558 (16)
P1A0.43840 (15)0.74851 (10)0.54556 (8)0.0236 (5)
O1A0.4568 (4)0.7873 (3)0.6862 (3)0.0389 (18)
O2A0.3396 (5)0.6296 (3)0.6344 (3)0.0470 (13)
O3A0.1042 (5)0.7454 (4)0.6046 (3)0.045 (2)
O4A0.1215 (4)0.8772 (4)0.5657 (3)0.046 (2)
O5A0.2849 (5)1.0281 (3)0.5992 (3)0.054 (2)
O6A0.4037 (5)0.9200 (4)0.7014 (3)0.0425 (19)
O7A0.5087 (5)0.8852 (4)0.6168 (3)0.0369 (17)
O8A0.3598 (5)0.9325 (3)0.5021 (2)0.0327 (16)
O9A0.2098 (4)0.7605 (3)0.5196 (2)0.0336 (15)
O10A0.5103 (4)0.7324 (3)0.5814 (2)0.0398 (16)
O11A0.4931 (4)0.7551 (3)0.5012 (2)0.0294 (10)
O12A0.4009 (5)0.6802 (3)0.5398 (2)0.0373 (16)
C1A0.1324 (5)0.6910 (3)0.7279 (3)0.0186 (17)
C2A0.0884 (6)0.6898 (4)0.7683 (3)0.0215 (18)
H2AA0.09530.72240.78840.026*
C3A0.0346 (6)0.6401 (4)0.7786 (3)0.0237 (19)
H3AA0.00460.64000.80520.028*
C4A0.0258 (6)0.5904 (4)0.7490 (3)0.028 (2)
H4AA−0.00890.55650.75600.033*
C5A0.0693 (6)0.5918 (4)0.7088 (3)0.0244 (19)
H5AA0.06220.55930.68870.029*
C6A0.1239 (6)0.6419 (3)0.6983 (3)0.0223 (18)
H6AA0.15390.64200.67170.027*
C7A0.2706 (6)0.7713 (3)0.7674 (3)0.0207 (17)
C8A0.2528 (6)0.8145 (4)0.8010 (3)0.0262 (19)
H8AA0.20520.84030.79880.031*
C9A0.3057 (7)0.8186 (4)0.8371 (3)0.031 (2)
H9AA0.29430.84780.85910.038*
C10A0.3754 (7)0.7801 (5)0.8411 (3)0.034 (2)
H10A0.41070.78310.86590.041*
C11A0.3934 (7)0.7359 (5)0.8079 (4)0.035 (2)
H11A0.44050.70970.81060.042*
C12A0.3411 (6)0.7316 (4)0.7713 (3)0.0266 (19)
H12A0.35270.70230.74930.032*
C13A0.1143 (5)0.8278 (3)0.7180 (3)0.0164 (16)
H13A0.06360.81340.70250.020*
H13B0.09940.83410.74890.020*
C14A0.1714 (5)0.9620 (4)0.7431 (3)0.0193 (17)
C15A0.2239 (6)1.0135 (3)0.7376 (3)0.0211 (17)
H15A0.25411.01850.71140.025*
C16A0.2318 (6)1.0574 (4)0.7709 (3)0.0267 (19)
H16A0.26791.09160.76720.032*
C17A0.1858 (6)1.0506 (4)0.8101 (4)0.030 (2)
H17A0.19091.08040.83240.036*
C18A0.1323 (6)0.9995 (4)0.8159 (3)0.0240 (18)
H18A0.10160.99490.84200.029*
C19A0.1251 (5)0.9556 (4)0.7824 (3)0.0216 (18)
H19A0.08910.92140.78620.026*
C20A0.0468 (6)0.9467 (4)0.6727 (3)0.0184 (16)
C21A0.0568 (5)0.9991 (3)0.6452 (3)0.0183 (15)
H21A0.11071.01070.63520.022*
C22A−0.0142 (6)1.0331 (4)0.6330 (3)0.0240 (18)
H22A−0.00791.06810.61490.029*
C23A−0.0957 (6)1.0160 (4)0.6475 (3)0.027 (2)
H23A−0.14341.03890.63890.033*
C24A−0.1044 (6)0.9639 (4)0.6752 (3)0.026 (2)
H24A−0.15820.95220.68530.032*
C25A−0.0323 (5)0.9291 (4)0.6878 (3)0.0213 (17)
H25A−0.03810.89440.70610.026*
C26A0.5823 (6)0.6930 (4)0.5772 (4)0.032 (2)
C27A0.6492 (8)0.7085 (5)0.6032 (4)0.043 (3)
H27A0.64650.74350.62150.052*
C28A0.7219 (7)0.6715 (5)0.6025 (4)0.045 (3)
H28A0.76860.68180.62020.054*
C29A0.7251 (6)0.6196 (4)0.5756 (4)0.039 (2)
H29A0.77350.59440.57570.047*
C30A0.6594 (6)0.6053 (4)0.5494 (3)0.032 (2)
H30A0.66340.57060.53090.038*
C31A0.5850 (7)0.6409 (5)0.5491 (4)0.035 (2)
H31A0.53890.63040.53100.042*
C32A0.5065 (6)0.8110 (4)0.4778 (4)0.029 (2)
C33A0.4591 (7)0.8208 (5)0.4406 (4)0.037 (2)
H33A0.41800.79190.43180.045*
C34A0.4733 (7)0.8752 (6)0.4157 (4)0.051 (3)
H34A0.44250.88190.38980.061*
C35A0.5316 (7)0.9181 (6)0.4292 (5)0.053 (3)
H35A0.53940.95470.41300.063*
C36A0.5788 (8)0.9075 (6)0.4666 (5)0.058 (4)
H36A0.62000.93640.47520.070*
C37A0.5656 (7)0.8529 (5)0.4922 (4)0.038 (2)
H37A0.59630.84600.51820.046*
C38A0.3726 (6)0.6460 (4)0.5032 (4)0.026 (2)
C39A0.4202 (6)0.6384 (4)0.4643 (3)0.026 (2)
H39A0.47070.66080.46070.032*
C40A0.3936 (7)0.5991 (4)0.4321 (3)0.039 (2)
H40A0.42700.59240.40710.046*
C41A0.3145 (7)0.5687 (5)0.4370 (4)0.045 (3)
H41A0.29500.54260.41450.054*
C42A0.2655 (6)0.5764 (4)0.4743 (4)0.040 (2)
H42A0.21260.55700.47680.048*
C43A0.2973 (7)0.6145 (4)0.5089 (4)0.042 (2)
H43A0.26720.61820.53540.051*
C44A0.3913 (6)0.7820 (4)0.6693 (3)0.027 (2)
C45A0.3155 (7)0.6793 (4)0.6376 (3)0.029 (2)
C46A0.1712 (6)0.7545 (4)0.6167 (3)0.029 (2)
C47A0.1757 (6)0.8804 (4)0.5915 (3)0.029 (2)
C48A0.2756 (7)0.9794 (4)0.6137 (4)0.036 (2)
C49A0.3526 (7)0.9068 (4)0.6772 (3)0.029 (2)
C50A0.4490 (6)0.8638 (4)0.6023 (3)0.0236 (19)
C51A0.3595 (6)0.8920 (4)0.5265 (3)0.0260 (19)
C52A0.2589 (5)0.7859 (4)0.5402 (3)0.0235 (17)
Ru1B0.22582 (4)0.27062 (3)0.64659 (2)0.01799 (13)
Ru2B0.24102 (4)0.40383 (3)0.64090 (2)0.01776 (13)
Ru3B0.15314 (4)0.33614 (3)0.57451 (2)0.01808 (13)
As1B0.29672 (5)0.26613 (3)0.71723 (3)0.01568 (16)
As2B0.34802 (6)0.41124 (3)0.69863 (3)0.01577 (16)
P1B0.08199 (14)0.25486 (9)0.54490 (8)0.0205 (4)
O1B0.4092 (4)0.2680 (3)0.6091 (3)0.0393 (18)
O2B0.1823 (5)0.1329 (3)0.6334 (3)0.0470 (13)
O3B0.0452 (5)0.2821 (3)0.6864 (3)0.0347 (17)
O4B0.0959 (5)0.4135 (4)0.7089 (3)0.0399 (18)
O5B0.2015 (5)0.5377 (3)0.6150 (3)0.0427 (19)
O6B0.3839 (5)0.4010 (4)0.5702 (3)0.0411 (18)
O7B0.3105 (4)0.2841 (3)0.5243 (2)0.0306 (14)
O8B0.1389 (5)0.4418 (3)0.5070 (2)0.0333 (16)
O9B−0.0092 (5)0.3839 (4)0.6217 (2)0.0375 (18)
O10B0.0052 (4)0.2665 (3)0.5104 (2)0.0238 (13)
O11B0.0345 (4)0.2080 (2)0.5758 (2)0.0294 (10)
O12B0.1469 (4)0.2095 (3)0.5183 (2)0.0292 (13)
C1B0.3687 (6)0.1935 (3)0.7305 (3)0.0185 (17)
C2B0.4093 (6)0.1907 (4)0.7702 (3)0.0232 (19)
H2BA0.40010.22170.79130.028*
C3B0.4653 (6)0.1410 (4)0.7794 (4)0.030 (2)
H3BA0.49290.13870.80660.037*
C4B0.4792 (6)0.0956 (4)0.7477 (3)0.029 (2)
H4BA0.51680.06290.75350.035*
C5B0.4377 (7)0.0984 (4)0.7077 (4)0.030 (2)
H5BA0.44620.06700.68680.036*
C6B0.3832 (6)0.1479 (4)0.6981 (3)0.0239 (19)
H6BA0.35670.15070.67050.029*
C7B0.2250 (6)0.2699 (4)0.7697 (3)0.0205 (17)
C8B0.2363 (6)0.3124 (4)0.8044 (3)0.0252 (19)
H8BA0.28130.34080.80360.030*
C9B0.1797 (7)0.3123 (4)0.8405 (3)0.031 (2)
H9BA0.18790.34030.86370.037*
C10B0.1118 (6)0.2707 (4)0.8417 (4)0.030 (2)
H10B0.07380.27130.86530.036*
C11B0.1009 (6)0.2289 (4)0.8079 (3)0.030 (2)
H11B0.05610.20030.80880.035*
C12B0.1564 (6)0.2289 (4)0.7723 (3)0.0221 (17)
H12B0.14760.20050.74940.027*
C13B0.3844 (5)0.3313 (3)0.7240 (3)0.0196 (17)
H13C0.39690.33700.75520.023*
H13D0.43650.31770.70950.023*
C14B0.3287 (5)0.4648 (4)0.7504 (3)0.0201 (17)
C15B0.2751 (6)0.5159 (4)0.7457 (3)0.0233 (18)
H15B0.24340.52040.71980.028*
C16B0.2678 (6)0.5603 (4)0.7789 (3)0.028 (2)
H16B0.23340.59530.77460.034*
C17B0.3106 (6)0.5527 (4)0.8177 (3)0.0244 (19)
H17B0.30430.58180.84040.029*
C19B0.3742 (5)0.4573 (4)0.7893 (3)0.0210 (17)
H19B0.41100.42350.79280.025*
C18B0.3644 (6)0.5010 (4)0.8234 (3)0.0241 (18)
H18B0.39380.49570.85000.029*
C20B0.4551 (6)0.4482 (3)0.6796 (3)0.0195 (17)
C21B0.4517 (6)0.4984 (4)0.6507 (3)0.0249 (19)
H21B0.39900.51070.63940.030*
C22B0.5240 (7)0.5309 (4)0.6380 (3)0.029 (2)
H22B0.52030.56410.61820.034*
C23B0.6013 (7)0.5131 (4)0.6552 (3)0.032 (2)
H23B0.65040.53480.64740.038*
C24B0.6068 (6)0.4637 (4)0.6839 (3)0.028 (2)
H24B0.65970.45200.69520.033*
C25B0.5344 (6)0.4309 (4)0.6962 (3)0.0248 (19)
H25B0.53900.39720.71550.030*
C26B0.0026 (6)0.3163 (4)0.4807 (3)0.0232 (18)
C27B−0.0607 (6)0.3607 (5)0.4872 (4)0.032 (2)
H27B−0.09710.35800.51140.039*
C28B−0.0686 (7)0.4087 (5)0.4572 (4)0.041 (3)
H28B−0.11080.43890.46100.049*
C29B−0.0129 (7)0.4122 (4)0.4211 (4)0.035 (2)
H29B−0.01870.44470.40080.042*
C30B0.0487 (6)0.3693 (4)0.4153 (3)0.030 (2)
H30B0.08520.37240.39110.036*
C31B0.0583 (6)0.3208 (4)0.4448 (3)0.0253 (19)
H31B0.10140.29130.44090.030*
C32B−0.0539 (6)0.1892 (4)0.5767 (3)0.0238 (18)
C33B−0.0819 (6)0.1475 (4)0.5453 (3)0.0253 (19)
H33B−0.04520.13350.52320.030*
C34B−0.1656 (6)0.1267 (4)0.5470 (3)0.030 (2)
H34B−0.18540.09890.52560.036*
C35B−0.2202 (6)0.1468 (4)0.5802 (3)0.032 (2)
H35B−0.27610.13220.58130.038*
C36B−0.1908 (7)0.1891 (5)0.6119 (4)0.041 (3)
H36B−0.22640.20290.63450.049*
C37B−0.1064 (6)0.2102 (4)0.6089 (4)0.034 (2)
H37B−0.08620.23920.62940.041*
C38B0.1337 (15)0.1524 (7)0.4998 (7)0.024 (4)0.60 (3)
C39B0.0950 (13)0.1458 (6)0.4591 (6)0.021 (3)0.60 (3)
H39B0.07930.18080.44270.025*0.60 (3)
C40B0.080 (2)0.0872 (8)0.4431 (7)0.035 (6)0.60 (3)
H40B0.05160.08270.41610.042*0.60 (3)
C41B0.1051 (17)0.0348 (6)0.4656 (6)0.040 (4)0.60 (3)
H41B0.0891−0.00490.45600.048*0.60 (3)
C42B0.156 (2)0.0426 (8)0.5042 (7)0.060 (6)0.60 (3)
H42B0.18640.00910.51620.071*0.60 (3)
C43B0.1608 (17)0.1005 (7)0.5231 (7)0.042 (5)0.60 (3)
H43B0.18200.10500.55180.050*0.60 (3)
C38C0.117 (2)0.1477 (10)0.5043 (9)0.018 (6)*0.40 (3)
C39C0.074 (2)0.1428 (11)0.4646 (9)0.021 (6)*0.40 (3)
H39C0.05070.17800.45100.025*0.40 (3)
C40C0.065 (3)0.0850 (12)0.4458 (10)0.024 (6)*0.40 (3)
H40C0.05600.08170.41550.029*0.40 (3)
C41C0.0708 (19)0.0318 (11)0.4710 (8)0.036 (6)*0.40 (3)
H41C0.0494−0.00630.46090.043*0.40 (3)
C42C0.1105 (16)0.0373 (9)0.5131 (7)0.022 (5)*0.40 (3)
H42C0.12380.00150.52930.026*0.40 (3)
C43C0.1294 (19)0.0950 (10)0.5299 (8)0.029 (6)*0.40 (3)
H43C0.15030.09880.55870.035*0.40 (3)
C44B0.3398 (6)0.2701 (4)0.6208 (3)0.0255 (19)
C45B0.1993 (6)0.1853 (4)0.6371 (3)0.028 (2)
C46B0.1126 (6)0.2808 (4)0.6710 (3)0.026 (2)
C47B0.1497 (7)0.4062 (4)0.6822 (4)0.031 (2)
C48B0.2187 (7)0.4875 (4)0.6247 (4)0.036 (2)
C49B0.3283 (6)0.3990 (4)0.5953 (3)0.027 (2)
C50B0.2552 (6)0.3038 (4)0.5450 (3)0.0236 (17)
C51B0.1415 (6)0.4010 (4)0.5322 (3)0.0252 (19)
C52B0.0540 (7)0.3662 (4)0.6067 (3)0.029 (2)
U11U22U33U12U13U23
Ru1A0.0197 (3)0.0122 (2)0.0218 (3)−0.0001 (2)0.0014 (3)0.0005 (2)
Ru2A0.0161 (3)0.0126 (2)0.0253 (3)0.0002 (2)0.0020 (3)0.0024 (2)
Ru3A0.0172 (3)0.0163 (3)0.0240 (3)−0.0009 (2)0.0032 (3)0.0005 (2)
As1A0.0159 (4)0.0091 (3)0.0205 (4)0.0006 (3)−0.0004 (3)0.0016 (3)
As2A0.0155 (4)0.0090 (3)0.0222 (4)0.0004 (3)−0.0003 (3)0.0011 (3)
P1A0.0259 (11)0.0176 (9)0.0272 (12)−0.0021 (8)0.0064 (9)−0.0051 (8)
O1A0.018 (4)0.041 (4)0.058 (5)−0.004 (3)−0.011 (3)0.010 (4)
O2A0.069 (4)0.0167 (18)0.055 (3)−0.002 (2)−0.006 (3)0.0006 (19)
O3A0.037 (4)0.061 (5)0.038 (4)−0.025 (4)−0.011 (3)0.013 (4)
O4A0.022 (3)0.068 (5)0.047 (5)0.021 (3)−0.006 (3)−0.010 (4)
O5A0.032 (4)0.031 (4)0.099 (7)0.010 (3)0.024 (4)0.026 (4)
O6A0.020 (4)0.054 (4)0.054 (5)0.000 (3)−0.009 (3)−0.020 (4)
O7A0.026 (4)0.046 (4)0.039 (4)−0.013 (3)0.004 (3)−0.009 (3)
O8A0.033 (4)0.023 (3)0.041 (4)0.000 (3)0.011 (3)0.011 (3)
O9A0.032 (4)0.033 (3)0.036 (4)−0.006 (3)−0.006 (3)0.000 (3)
O10A0.039 (4)0.043 (4)0.038 (4)0.018 (3)0.001 (3)−0.004 (3)
O11A0.020 (2)0.0160 (18)0.052 (3)−0.0006 (15)−0.005 (2)0.0024 (19)
O12A0.051 (4)0.024 (3)0.037 (4)−0.004 (3)0.008 (3)0.002 (3)
C1A0.014 (4)0.013 (3)0.028 (5)0.002 (3)0.001 (3)0.004 (3)
C2A0.017 (4)0.017 (4)0.031 (5)0.002 (3)0.001 (4)−0.001 (3)
C3A0.020 (4)0.018 (4)0.033 (5)−0.001 (3)0.001 (4)0.012 (3)
C4A0.030 (5)0.012 (3)0.041 (6)−0.007 (3)−0.004 (4)0.009 (3)
C5A0.026 (5)0.015 (3)0.032 (5)0.001 (3)−0.011 (4)−0.003 (3)
C6A0.027 (5)0.011 (3)0.029 (5)0.001 (3)−0.002 (4)0.003 (3)
C7A0.018 (4)0.015 (3)0.028 (5)−0.001 (3)0.000 (4)0.005 (3)
C8A0.023 (4)0.020 (4)0.036 (5)0.003 (3)−0.009 (4)−0.001 (3)
C9A0.034 (5)0.028 (4)0.032 (5)−0.005 (4)−0.009 (4)−0.002 (4)
C10A0.042 (6)0.036 (5)0.023 (5)−0.012 (4)−0.017 (4)0.008 (4)
C11A0.027 (5)0.046 (6)0.032 (6)0.006 (4)−0.002 (4)0.015 (5)
C12A0.026 (5)0.030 (4)0.023 (5)0.005 (4)−0.005 (4)0.006 (3)
C13A0.010 (4)0.013 (3)0.026 (4)0.004 (2)0.002 (3)0.001 (3)
C14A0.019 (4)0.015 (3)0.023 (4)0.004 (3)0.002 (3)0.002 (3)
C15A0.026 (5)0.011 (3)0.027 (4)0.002 (3)0.003 (3)0.003 (3)
C16A0.028 (5)0.017 (3)0.035 (5)−0.002 (3)−0.002 (4)−0.002 (3)
C17A0.032 (5)0.023 (4)0.037 (6)0.003 (3)−0.006 (4)−0.006 (4)
C18A0.026 (5)0.023 (4)0.023 (4)0.000 (3)0.001 (4)0.002 (3)
C19A0.015 (4)0.017 (3)0.033 (5)0.000 (3)−0.002 (3)−0.001 (3)
C20A0.021 (4)0.015 (3)0.019 (4)0.002 (3)−0.002 (3)−0.002 (3)
C21A0.018 (4)0.014 (3)0.023 (4)−0.002 (3)0.003 (3)0.001 (3)
C22A0.035 (5)0.018 (3)0.019 (4)0.008 (3)0.000 (4)0.002 (3)
C23A0.028 (5)0.021 (4)0.032 (5)0.013 (3)−0.013 (4)−0.004 (4)
C24A0.018 (4)0.025 (4)0.036 (5)0.008 (3)−0.001 (4)−0.002 (4)
C25A0.019 (4)0.017 (3)0.028 (5)0.001 (3)0.003 (3)−0.002 (3)
C26A0.031 (5)0.029 (4)0.036 (5)0.014 (4)0.010 (4)0.007 (4)
C27A0.055 (7)0.033 (5)0.043 (6)0.006 (5)−0.014 (6)−0.003 (4)
C28A0.047 (7)0.035 (5)0.054 (7)−0.005 (4)−0.020 (6)0.011 (5)
C29A0.029 (5)0.036 (5)0.051 (6)0.001 (4)0.009 (5)0.013 (5)
C30A0.033 (5)0.034 (5)0.029 (5)0.005 (4)0.004 (4)0.005 (4)
C31A0.030 (5)0.035 (5)0.040 (6)0.008 (4)−0.003 (5)−0.004 (4)
C32A0.028 (5)0.018 (4)0.041 (6)0.001 (3)0.012 (4)0.002 (4)
C33A0.032 (5)0.048 (6)0.032 (6)0.007 (4)0.000 (4)−0.010 (5)
C34A0.033 (6)0.080 (9)0.040 (7)0.021 (6)0.012 (5)0.023 (6)
C35A0.024 (5)0.060 (7)0.074 (9)0.000 (5)0.016 (6)0.033 (7)
C36A0.030 (6)0.044 (6)0.101 (11)−0.019 (5)0.008 (7)0.027 (7)
C37A0.033 (6)0.038 (5)0.042 (6)−0.009 (4)0.001 (5)0.006 (5)
C38A0.021 (4)0.016 (3)0.041 (6)0.002 (3)0.000 (4)−0.005 (3)
C39A0.023 (5)0.021 (4)0.035 (5)−0.005 (3)0.001 (4)−0.004 (3)
C40A0.055 (7)0.031 (5)0.030 (5)0.002 (4)0.007 (5)−0.004 (4)
C41A0.045 (6)0.038 (5)0.050 (7)−0.006 (4)0.004 (5)−0.011 (5)
C42A0.028 (5)0.033 (5)0.060 (7)0.000 (4)0.007 (5)−0.015 (4)
C43A0.046 (6)0.032 (5)0.049 (7)−0.006 (4)0.010 (5)−0.008 (4)
C44A0.028 (5)0.020 (4)0.033 (5)0.005 (3)0.008 (4)0.009 (4)
C45A0.044 (6)0.021 (4)0.022 (5)0.000 (3)0.006 (4)0.001 (3)
C46A0.032 (5)0.035 (4)0.021 (5)−0.017 (4)−0.004 (4)0.011 (4)
C47A0.028 (5)0.031 (4)0.029 (5)0.003 (4)−0.005 (4)0.010 (4)
C48A0.032 (5)0.025 (4)0.050 (6)0.005 (4)0.022 (5)0.015 (4)
C49A0.025 (5)0.026 (4)0.038 (6)0.002 (4)0.008 (4)−0.010 (4)
C50A0.018 (4)0.026 (4)0.027 (5)0.000 (3)0.009 (4)−0.004 (3)
C51A0.025 (5)0.018 (3)0.035 (5)−0.002 (3)0.004 (4)−0.005 (3)
C52A0.016 (4)0.021 (4)0.033 (5)0.001 (3)−0.001 (4)0.003 (3)
Ru1B0.0209 (3)0.0121 (2)0.0210 (3)−0.0001 (2)−0.0020 (3)0.0000 (2)
Ru2B0.0174 (3)0.0125 (2)0.0234 (3)0.0012 (2)−0.0031 (3)−0.0005 (2)
Ru3B0.0188 (3)0.0156 (3)0.0199 (3)0.0014 (2)−0.0027 (3)−0.0007 (2)
As1B0.0158 (4)0.0100 (3)0.0212 (4)0.0000 (3)−0.0006 (3)0.0010 (3)
As2B0.0141 (4)0.0097 (3)0.0235 (4)0.0002 (3)−0.0014 (3)0.0014 (3)
P1B0.0237 (11)0.0152 (8)0.0225 (11)0.0001 (7)−0.0034 (9)−0.0016 (8)
O1B0.026 (3)0.044 (4)0.049 (5)0.014 (3)0.009 (3)0.009 (3)
O2B0.069 (4)0.0167 (18)0.055 (3)−0.002 (2)−0.006 (3)0.0006 (19)
O3B0.023 (4)0.037 (4)0.044 (4)−0.005 (3)0.004 (3)0.012 (3)
O4B0.032 (4)0.055 (5)0.033 (4)−0.004 (3)0.006 (3)−0.020 (4)
O5B0.056 (5)0.020 (3)0.052 (5)0.014 (3)−0.021 (4)0.006 (3)
O6B0.035 (4)0.052 (4)0.037 (4)−0.012 (3)0.010 (3)−0.011 (4)
O7B0.028 (3)0.031 (3)0.033 (4)0.000 (3)0.007 (3)−0.002 (3)
O8B0.049 (4)0.021 (3)0.030 (4)−0.002 (3)−0.005 (3)0.008 (3)
O9B0.026 (4)0.047 (4)0.040 (4)0.016 (3)−0.002 (3)−0.005 (3)
O10B0.030 (3)0.017 (3)0.025 (3)−0.004 (2)−0.011 (3)0.004 (2)
O11B0.020 (2)0.0160 (18)0.052 (3)−0.0006 (15)−0.005 (2)0.0024 (19)
O12B0.027 (3)0.022 (3)0.039 (4)−0.003 (2)−0.002 (3)−0.013 (2)
C1B0.024 (5)0.006 (3)0.025 (4)0.003 (3)0.000 (3)0.002 (3)
C2B0.021 (4)0.011 (3)0.037 (5)−0.003 (3)−0.004 (4)0.004 (3)
C3B0.020 (5)0.020 (4)0.051 (7)0.002 (3)−0.015 (4)0.008 (4)
C4B0.028 (5)0.022 (4)0.037 (6)0.005 (3)0.003 (4)0.012 (4)
C5B0.037 (5)0.016 (4)0.038 (6)0.007 (3)0.004 (4)0.002 (4)
C6B0.024 (4)0.019 (4)0.029 (5)0.004 (3)0.007 (4)0.007 (3)
C7B0.020 (4)0.020 (4)0.022 (4)0.004 (3)0.000 (3)0.003 (3)
C8B0.028 (5)0.015 (3)0.033 (5)−0.001 (3)−0.002 (4)−0.003 (3)
C9B0.051 (6)0.019 (4)0.023 (5)0.004 (4)−0.001 (4)0.000 (3)
C10B0.026 (5)0.026 (4)0.036 (6)0.003 (3)0.005 (4)0.012 (4)
C11B0.019 (4)0.034 (5)0.036 (6)−0.002 (3)0.000 (4)0.005 (4)
C12B0.016 (4)0.020 (4)0.030 (5)−0.001 (3)−0.001 (4)0.001 (3)
C13B0.017 (4)0.011 (3)0.031 (5)−0.003 (3)−0.005 (3)0.003 (3)
C14B0.015 (4)0.016 (3)0.029 (5)−0.003 (3)0.004 (3)−0.006 (3)
C15B0.023 (4)0.017 (3)0.030 (5)0.006 (3)−0.002 (4)−0.007 (3)
C16B0.032 (5)0.014 (3)0.039 (5)0.005 (3)0.007 (4)−0.009 (3)
C17B0.026 (5)0.021 (4)0.026 (5)−0.001 (3)0.005 (4)−0.011 (3)
C19B0.019 (4)0.014 (3)0.030 (5)0.003 (3)−0.006 (3)0.000 (3)
C18B0.025 (5)0.021 (4)0.026 (5)−0.002 (3)−0.002 (4)−0.003 (3)
C20B0.022 (4)0.011 (3)0.025 (5)−0.002 (3)0.006 (3)−0.001 (3)
C21B0.031 (5)0.014 (3)0.029 (5)−0.003 (3)0.005 (4)0.000 (3)
C22B0.047 (6)0.016 (3)0.022 (5)−0.010 (3)0.005 (4)0.000 (3)
C23B0.033 (5)0.029 (4)0.034 (6)−0.005 (4)0.005 (4)−0.013 (4)
C24B0.024 (5)0.016 (4)0.043 (6)−0.001 (3)0.001 (4)−0.009 (4)
C25B0.021 (4)0.023 (4)0.031 (5)−0.001 (3)0.003 (4)0.000 (3)
C26B0.031 (5)0.020 (4)0.018 (4)−0.001 (3)−0.009 (4)0.001 (3)
C27B0.020 (5)0.039 (5)0.038 (6)0.008 (4)0.005 (4)0.006 (4)
C28B0.026 (5)0.035 (5)0.061 (8)0.003 (4)−0.005 (5)0.012 (5)
C29B0.031 (5)0.029 (4)0.046 (6)−0.001 (4)0.002 (5)0.012 (4)
C30B0.028 (5)0.033 (4)0.028 (5)−0.006 (4)0.001 (4)−0.001 (4)
C31B0.030 (5)0.024 (4)0.021 (5)0.000 (3)0.004 (4)−0.001 (3)
C32B0.025 (4)0.021 (4)0.026 (5)0.000 (3)−0.004 (4)0.010 (3)
C33B0.031 (5)0.026 (4)0.019 (5)0.001 (3)−0.001 (4)0.000 (3)
C34B0.040 (5)0.027 (4)0.023 (5)−0.005 (4)−0.009 (4)0.003 (3)
C35B0.022 (4)0.037 (5)0.036 (5)−0.002 (4)0.005 (4)0.010 (4)
C36B0.030 (5)0.041 (6)0.051 (7)0.007 (4)0.011 (5)−0.009 (5)
C37B0.035 (5)0.029 (4)0.037 (6)−0.002 (4)0.001 (4)−0.007 (4)
C38B0.018 (9)0.016 (5)0.037 (8)0.001 (5)0.007 (7)−0.009 (5)
C39B0.022 (8)0.012 (5)0.030 (7)−0.001 (5)0.015 (6)0.000 (5)
C40B0.051 (15)0.017 (6)0.038 (9)0.012 (7)0.001 (9)−0.009 (5)
C41B0.066 (12)0.010 (5)0.044 (9)−0.002 (7)−0.003 (8)−0.011 (5)
C42B0.082 (14)0.027 (6)0.069 (11)0.020 (9)−0.026 (10)−0.010 (7)
C43B0.043 (11)0.027 (7)0.054 (9)0.011 (7)−0.020 (9)−0.014 (6)
C44B0.035 (5)0.033 (4)0.009 (4)0.012 (4)−0.001 (3)0.001 (3)
C45B0.029 (5)0.018 (3)0.038 (5)0.000 (3)−0.013 (4)0.006 (4)
C46B0.030 (5)0.019 (4)0.028 (5)−0.003 (3)−0.002 (4)0.008 (3)
C47B0.028 (5)0.026 (4)0.039 (6)−0.005 (4)−0.015 (5)−0.010 (4)
C48B0.041 (6)0.020 (4)0.046 (6)0.001 (4)−0.010 (5)0.000 (4)
C49B0.025 (5)0.027 (4)0.030 (5)−0.001 (3)−0.010 (4)0.000 (4)
C50B0.027 (4)0.025 (4)0.018 (4)−0.009 (3)−0.003 (3)0.004 (3)
C51B0.025 (5)0.019 (4)0.031 (5)0.004 (3)−0.008 (4)−0.009 (3)
C52B0.033 (5)0.023 (4)0.032 (5)0.002 (4)−0.013 (4)0.002 (4)
Ru1A—C45A1.900 (9)Ru2B—C48B1.885 (9)
Ru1A—C44A1.911 (11)Ru2B—C47B1.898 (12)
Ru1A—C46A1.929 (9)Ru2B—C49B1.944 (10)
Ru1A—As1A2.4301 (12)Ru2B—As2B2.4189 (11)
Ru1A—Ru3A2.8432 (10)Ru2B—Ru3B2.8256 (9)
Ru1A—Ru2A2.8594 (8)Ru3B—C51B1.892 (9)
Ru2A—C47A1.893 (10)Ru3B—C52B1.941 (11)
Ru2A—C48A1.897 (9)Ru3B—C50B1.956 (9)
Ru2A—C49A1.938 (11)Ru3B—P1B2.247 (2)
Ru2A—As2A2.4423 (11)As1B—C7B1.943 (9)
Ru2A—Ru3A2.8513 (10)As1B—C1B1.958 (7)
Ru3A—C51A1.918 (9)As1B—C13B1.966 (8)
Ru3A—C50A1.934 (10)As2B—C20B1.940 (8)
Ru3A—C52A1.955 (9)As2B—C13B1.956 (7)
Ru3A—P1A2.263 (2)As2B—C14B1.961 (8)
As1A—C7A1.926 (9)P1B—O11B1.558 (6)
As1A—C1A1.956 (8)P1B—O10B1.608 (6)
As1A—C13A1.972 (7)P1B—O12B1.618 (6)
As2A—C20A1.945 (8)O1B—C44B1.144 (12)
As2A—C14A1.947 (8)O2B—C45B1.156 (10)
As2A—C13A1.962 (7)O3B—C46B1.154 (12)
P1A—O12A1.583 (7)O4B—C47B1.178 (13)
P1A—O11A1.597 (7)O5B—C48B1.145 (11)
P1A—O10A1.597 (7)O6B—C49B1.155 (12)
O1A—C44A1.150 (12)O7B—C50B1.149 (11)
O2A—C45A1.131 (11)O8B—C51B1.158 (11)
O3A—C46A1.127 (11)O9B—C52B1.154 (12)
O4A—C47A1.152 (11)O10B—C26B1.391 (10)
O5A—C48A1.139 (11)O11B—C32B1.440 (10)
O6A—C49A1.117 (12)O12B—C38B1.358 (16)
O7A—C50A1.129 (11)O12B—C38C1.46 (2)
O8A—C51A1.135 (11)C1B—C2B1.358 (13)
O9A—C52A1.125 (10)C1B—C6B1.398 (12)
O10A—C26A1.413 (10)C2B—C3B1.405 (11)
O11A—C32A1.404 (11)C2B—H2BA0.9300
O12A—C38A1.396 (12)C3B—C4B1.378 (14)
C1A—C6A1.383 (12)C3B—H3BA0.9300
C1A—C2A1.403 (13)C4B—C5B1.372 (14)
C2A—C3A1.391 (11)C4B—H4BA0.9300
C2A—H2AA0.9300C5B—C6B1.389 (12)
C3A—C4A1.395 (13)C5B—H5BA0.9300
C3A—H3AA0.9300C6B—H6BA0.9300
C4A—C5A1.392 (14)C7B—C12B1.388 (12)
C4A—H4AA0.9300C7B—C8B1.397 (12)
C5A—C6A1.405 (12)C8B—C9B1.405 (13)
C5A—H5AA0.9300C8B—H8BA0.9300
C6A—H6AA0.9300C9B—C10B1.387 (13)
C7A—C8A1.397 (12)C9B—H9BA0.9300
C7A—C12A1.398 (12)C10B—C11B1.366 (14)
C8A—C9A1.371 (13)C10B—H10B0.9300
C8A—H8AA0.9300C11B—C12B1.383 (14)
C9A—C10A1.371 (14)C11B—H11B0.9300
C9A—H9AA0.9300C12B—H12B0.9300
C10A—C11A1.406 (15)C13B—H13C0.9700
C10A—H10A0.9300C13B—H13D0.9700
C11A—C12A1.376 (14)C14B—C19B1.381 (12)
C11A—H11A0.9300C14B—C15B1.384 (11)
C12A—H12A0.9300C15B—C16B1.385 (11)
C13A—H13A0.9700C15B—H15B0.9300
C13A—H13B0.9700C16B—C17B1.357 (14)
C14A—C15A1.383 (11)C16B—H16B0.9300
C14A—C19A1.400 (12)C17B—C18B1.399 (12)
C15A—C16A1.380 (12)C17B—H17B0.9300
C15A—H15A0.9300C19B—C18B1.398 (12)
C16A—C17A1.392 (14)C19B—H19B0.9300
C16A—H16A0.9300C18B—H18B0.9300
C17A—C18A1.386 (13)C20B—C21B1.385 (11)
C17A—H17A0.9300C20B—C25B1.387 (13)
C18A—C19A1.381 (12)C21B—C22B1.382 (12)
C18A—H18A0.9300C21B—H21B0.9300
C19A—H19A0.9300C22B—C23B1.369 (15)
C20A—C25A1.374 (12)C22B—H22B0.9300
C20A—C21A1.402 (11)C23B—C24B1.366 (14)
C21A—C22A1.377 (11)C23B—H23B0.9300
C21A—H21A0.9300C24B—C25B1.383 (13)
C22A—C23A1.398 (14)C24B—H24B0.9300
C22A—H22A0.9300C25B—H25B0.9300
C23A—C24A1.399 (13)C26B—C27B1.386 (13)
C23A—H23A0.9300C26B—C31B1.395 (13)
C24A—C25A1.402 (12)C27B—C28B1.373 (14)
C24A—H24A0.9300C27B—H27B0.9300
C25A—H25A0.9300C28B—C29B1.399 (16)
C26A—C27A1.349 (15)C28B—H28B0.9300
C26A—C31A1.401 (14)C29B—C30B1.342 (14)
C27A—C28A1.385 (15)C29B—H29B0.9300
C27A—H27A0.9300C30B—C31B1.376 (13)
C28A—C29A1.375 (15)C30B—H30B0.9300
C28A—H28A0.9300C31B—H31B0.9300
C29A—C30A1.331 (14)C32B—C37B1.352 (13)
C29A—H29A0.9300C32B—C33B1.372 (13)
C30A—C31A1.391 (13)C33B—C34B1.385 (14)
C30A—H30A0.9300C33B—H33B0.9300
C31A—H31A0.9300C34B—C35B1.387 (14)
C32A—C37A1.358 (14)C34B—H34B0.9300
C32A—C33A1.360 (15)C35B—C36B1.394 (14)
C33A—C34A1.401 (16)C35B—H35B0.9300
C33A—H33A0.9300C36B—C37B1.399 (14)
C34A—C35A1.355 (18)C36B—H36B0.9300
C34A—H34A0.9300C37B—H37B0.9300
C35A—C36A1.366 (19)C38B—C39B1.375 (16)
C35A—H35A0.9300C38B—C43B1.380 (17)
C36A—C37A1.415 (15)C39B—C40B1.362 (15)
C36A—H36A0.9300C39B—H39B0.9300
C37A—H37A0.9300C40B—C41B1.369 (16)
C38A—C43A1.369 (13)C40B—H40B0.9300
C38A—C39A1.399 (14)C41B—C42B1.423 (19)
C39A—C40A1.350 (13)C41B—H41B0.9300
C39A—H39A0.9300C42B—C43B1.364 (17)
C40A—C41A1.407 (15)C42B—H42B0.9300
C40A—H40A0.9300C43B—H43B0.9300
C41A—C42A1.374 (14)C38C—C43C1.379 (19)
C41A—H41A0.9300C38C—C39C1.380 (19)
C42A—C43A1.413 (14)C39C—C40C1.364 (18)
C42A—H42A0.9300C39C—H39C0.9300
C43A—H43A0.9300C40C—C41C1.370 (19)
Ru1B—C45B1.892 (8)C40C—H40C0.9300
Ru1B—C46B1.933 (10)C41C—C42C1.42 (2)
Ru1B—C44B1.948 (10)C41C—H41C0.9300
Ru1B—As1B2.4025 (11)C42C—C43C1.366 (19)
Ru1B—Ru3B2.8235 (10)C42C—H42C0.9300
Ru1B—Ru2B2.8613 (8)C43C—H43C0.9300
C45A—Ru1A—C44A88.9 (4)C45B—Ru1B—Ru2B165.4 (3)
C45A—Ru1A—C46A95.8 (4)C46B—Ru1B—Ru2B89.3 (3)
C44A—Ru1A—C46A174.4 (4)C44B—Ru1B—Ru2B84.6 (3)
C45A—Ru1A—As1A102.9 (3)As1B—Ru1B—Ru2B93.13 (3)
C44A—Ru1A—As1A96.3 (3)Ru3B—Ru1B—Ru2B59.60 (2)
C46A—Ru1A—As1A85.5 (3)C48B—Ru2B—C47B90.3 (5)
C45A—Ru1A—Ru3A104.9 (3)C48B—Ru2B—C49B89.9 (4)
C44A—Ru1A—Ru3A81.8 (3)C47B—Ru2B—C49B175.6 (4)
C46A—Ru1A—Ru3A94.1 (3)C48B—Ru2B—As2B104.6 (3)
As1A—Ru1A—Ru3A152.08 (3)C47B—Ru2B—As2B92.7 (3)
C45A—Ru1A—Ru2A164.8 (3)C49B—Ru2B—As2B91.5 (3)
C44A—Ru1A—Ru2A86.9 (3)C48B—Ru2B—Ru3B102.3 (3)
C46A—Ru1A—Ru2A87.7 (3)C47B—Ru2B—Ru3B96.5 (3)
As1A—Ru1A—Ru2A92.12 (3)C49B—Ru2B—Ru3B79.2 (3)
Ru3A—Ru1A—Ru2A60.00 (2)As2B—Ru2B—Ru3B151.54 (3)
C47A—Ru2A—C48A91.4 (4)C48B—Ru2B—Ru1B160.6 (3)
C47A—Ru2A—C49A175.2 (4)C47B—Ru2B—Ru1B85.7 (3)
C48A—Ru2A—C49A91.3 (5)C49B—Ru2B—Ru1B92.7 (3)
C47A—Ru2A—As2A91.2 (3)As2B—Ru2B—Ru1B94.56 (3)
C48A—Ru2A—As2A103.7 (3)Ru3B—Ru2B—Ru1B59.53 (2)
C49A—Ru2A—As2A92.0 (3)C51B—Ru3B—C52B91.1 (4)
C47A—Ru2A—Ru3A78.3 (3)C51B—Ru3B—C50B91.7 (4)
C48A—Ru2A—Ru3A101.1 (3)C52B—Ru3B—C50B176.9 (4)
C49A—Ru2A—Ru3A97.4 (3)C51B—Ru3B—P1B104.5 (3)
As2A—Ru2A—Ru3A153.27 (3)C52B—Ru3B—P1B93.3 (3)
C47A—Ru2A—Ru1A88.3 (3)C50B—Ru3B—P1B87.2 (2)
C48A—Ru2A—Ru1A160.4 (3)C51B—Ru3B—Ru1B157.0 (3)
C49A—Ru2A—Ru1A87.7 (3)C52B—Ru3B—Ru1B95.7 (3)
As2A—Ru2A—Ru1A95.90 (3)C50B—Ru3B—Ru1B81.2 (2)
Ru3A—Ru2A—Ru1A59.72 (2)P1B—Ru3B—Ru1B96.98 (6)
C51A—Ru3A—C50A90.9 (4)C51B—Ru3B—Ru2B98.6 (3)
C51A—Ru3A—C52A92.3 (4)C52B—Ru3B—Ru2B82.2 (3)
C50A—Ru3A—C52A176.7 (4)C50B—Ru3B—Ru2B96.1 (2)
C51A—Ru3A—P1A106.4 (3)P1B—Ru3B—Ru2B156.56 (7)
C50A—Ru3A—P1A91.0 (3)Ru1B—Ru3B—Ru2B60.86 (2)
C52A—Ru3A—P1A87.5 (2)C7B—As1B—C1B101.5 (3)
C51A—Ru3A—Ru1A154.3 (3)C7B—As1B—C13B106.9 (4)
C50A—Ru3A—Ru1A96.1 (3)C1B—As1B—C13B98.0 (3)
C52A—Ru3A—Ru1A81.1 (3)C7B—As1B—Ru1B117.0 (3)
P1A—Ru3A—Ru1A98.13 (7)C1B—As1B—Ru1B118.5 (3)
C51A—Ru3A—Ru2A96.8 (3)C13B—As1B—Ru1B112.6 (3)
C50A—Ru3A—Ru2A81.0 (3)C20B—As2B—C13B102.7 (3)
C52A—Ru3A—Ru2A99.1 (3)C20B—As2B—C14B97.6 (3)
P1A—Ru3A—Ru2A155.62 (7)C13B—As2B—C14B104.1 (4)
Ru1A—Ru3A—Ru2A60.28 (2)C20B—As2B—Ru2B114.3 (3)
C7A—As1A—C1A101.5 (4)C13B—As2B—Ru2B115.2 (2)
C7A—As1A—C13A105.6 (4)C14B—As2B—Ru2B120.3 (3)
C1A—As1A—C13A97.4 (3)O11B—P1B—O10B97.5 (3)
C7A—As1A—Ru1A117.0 (3)O11B—P1B—O12B102.3 (3)
C1A—As1A—Ru1A118.7 (3)O10B—P1B—O12B103.9 (3)
C13A—As1A—Ru1A114.0 (3)O11B—P1B—Ru3B119.7 (3)
C20A—As2A—C14A96.3 (3)O10B—P1B—Ru3B120.5 (2)
C20A—As2A—C13A103.7 (3)O12B—P1B—Ru3B110.4 (2)
C14A—As2A—C13A104.8 (4)C26B—O10B—P1B123.8 (5)
C20A—As2A—Ru2A114.5 (3)C32B—O11B—P1B130.5 (5)
C14A—As2A—Ru2A120.7 (3)C38B—O12B—P1B130.3 (11)
C13A—As2A—Ru2A114.2 (2)C38C—O12B—P1B119.1 (15)
O12A—P1A—O11A100.9 (3)C2B—C1B—C6B120.6 (8)
O12A—P1A—O10A97.9 (4)C2B—C1B—As1B118.9 (6)
O11A—P1A—O10A102.0 (4)C6B—C1B—As1B120.3 (7)
O12A—P1A—Ru3A120.3 (3)C1B—C2B—C3B119.8 (9)
O11A—P1A—Ru3A121.7 (2)C1B—C2B—H2BA120.1
O10A—P1A—Ru3A110.3 (3)C3B—C2B—H2BA120.1
C26A—O10A—P1A128.8 (7)C4B—C3B—C2B119.7 (9)
C32A—O11A—P1A125.3 (6)C4B—C3B—H3BA120.2
C38A—O12A—P1A133.4 (6)C2B—C3B—H3BA120.2
C6A—C1A—C2A120.0 (8)C5B—C4B—C3B120.3 (9)
C6A—C1A—As1A121.0 (7)C5B—C4B—H4BA119.8
C2A—C1A—As1A119.0 (6)C3B—C4B—H4BA119.8
C3A—C2A—C1A120.5 (8)C4B—C5B—C6B120.4 (9)
C3A—C2A—H2AA119.8C4B—C5B—H5BA119.8
C1A—C2A—H2AA119.8C6B—C5B—H5BA119.8
C2A—C3A—C4A119.8 (9)C5B—C6B—C1B119.1 (9)
C2A—C3A—H3AA120.1C5B—C6B—H6BA120.5
C4A—C3A—H3AA120.1C1B—C6B—H6BA120.5
C5A—C4A—C3A119.5 (8)C12B—C7B—C8B117.7 (8)
C5A—C4A—H4AA120.2C12B—C7B—As1B117.9 (7)
C3A—C4A—H4AA120.2C8B—C7B—As1B124.4 (7)
C4A—C5A—C6A120.9 (8)C7B—C8B—C9B120.1 (8)
C4A—C5A—H5AA119.6C7B—C8B—H8BA120.0
C6A—C5A—H5AA119.6C9B—C8B—H8BA120.0
C1A—C6A—C5A119.3 (9)C10B—C9B—C8B120.4 (9)
C1A—C6A—H6AA120.3C10B—C9B—H9BA119.8
C5A—C6A—H6AA120.3C8B—C9B—H9BA119.8
C8A—C7A—C12A119.9 (8)C11B—C10B—C9B119.6 (10)
C8A—C7A—As1A123.9 (6)C11B—C10B—H10B120.2
C12A—C7A—As1A116.2 (7)C9B—C10B—H10B120.2
C9A—C8A—C7A119.8 (9)C10B—C11B—C12B120.2 (9)
C9A—C8A—H8AA120.1C10B—C11B—H11B119.9
C7A—C8A—H8AA120.1C12B—C11B—H11B119.9
C8A—C9A—C10A120.8 (9)C11B—C12B—C7B122.1 (9)
C8A—C9A—H9AA119.6C11B—C12B—H12B118.9
C10A—C9A—H9AA119.6C7B—C12B—H12B118.9
C9A—C10A—C11A120.0 (9)As2B—C13B—As1B112.0 (4)
C9A—C10A—H10A120.0As2B—C13B—H13C109.2
C11A—C10A—H10A120.0As1B—C13B—H13C109.2
C12A—C11A—C10A119.8 (9)As2B—C13B—H13D109.2
C12A—C11A—H11A120.1As1B—C13B—H13D109.2
C10A—C11A—H11A120.1H13C—C13B—H13D107.9
C11A—C12A—C7A119.7 (9)C19B—C14B—C15B119.4 (8)
C11A—C12A—H12A120.2C19B—C14B—As2B122.0 (6)
C7A—C12A—H12A120.2C15B—C14B—As2B118.2 (7)
As2A—C13A—As1A111.3 (4)C14B—C15B—C16B121.2 (9)
As2A—C13A—H13A109.4C14B—C15B—H15B119.4
As1A—C13A—H13A109.4C16B—C15B—H15B119.4
As2A—C13A—H13B109.4C17B—C16B—C15B120.0 (8)
As1A—C13A—H13B109.4C17B—C16B—H16B120.0
H13A—C13A—H13B108.0C15B—C16B—H16B120.0
C15A—C14A—C19A119.1 (8)C16B—C17B—C18B119.8 (8)
C15A—C14A—As2A118.3 (6)C16B—C17B—H17B120.1
C19A—C14A—As2A122.0 (6)C18B—C17B—H17B120.1
C16A—C15A—C14A120.5 (8)C14B—C19B—C18B119.3 (8)
C16A—C15A—H15A119.8C14B—C19B—H19B120.3
C14A—C15A—H15A119.8C18B—C19B—H19B120.3
C15A—C16A—C17A120.0 (8)C19B—C18B—C17B120.3 (8)
C15A—C16A—H16A120.0C19B—C18B—H18B119.9
C17A—C16A—H16A120.0C17B—C18B—H18B119.9
C18A—C17A—C16A120.2 (9)C21B—C20B—C25B117.8 (8)
C18A—C17A—H17A119.9C21B—C20B—As2B118.0 (7)
C16A—C17A—H17A119.9C25B—C20B—As2B124.0 (6)
C19A—C18A—C17A119.4 (9)C22B—C21B—C20B122.2 (9)
C19A—C18A—H18A120.3C22B—C21B—H21B118.9
C17A—C18A—H18A120.3C20B—C21B—H21B118.9
C18A—C19A—C14A120.8 (8)C23B—C22B—C21B118.6 (9)
C18A—C19A—H19A119.6C23B—C22B—H22B120.7
C14A—C19A—H19A119.6C21B—C22B—H22B120.7
C25A—C20A—C21A121.1 (8)C24B—C23B—C22B120.6 (9)
C25A—C20A—As2A123.1 (6)C24B—C23B—H23B119.7
C21A—C20A—As2A115.5 (6)C22B—C23B—H23B119.7
C22A—C21A—C20A119.2 (8)C23B—C24B—C25B120.7 (9)
C22A—C21A—H21A120.4C23B—C24B—H24B119.7
C20A—C21A—H21A120.4C25B—C24B—H24B119.7
C21A—C22A—C23A121.0 (8)C24B—C25B—C20B120.1 (8)
C21A—C22A—H22A119.5C24B—C25B—H25B119.9
C23A—C22A—H22A119.5C20B—C25B—H25B119.9
C22A—C23A—C24A119.0 (8)C27B—C26B—O10B117.0 (9)
C22A—C23A—H23A120.5C27B—C26B—C31B120.7 (9)
C24A—C23A—H23A120.5O10B—C26B—C31B122.3 (8)
C23A—C24A—C25A120.2 (9)C28B—C27B—C26B118.9 (10)
C23A—C24A—H24A119.9C28B—C27B—H27B120.6
C25A—C24A—H24A119.9C26B—C27B—H27B120.6
C20A—C25A—C24A119.4 (8)C27B—C28B—C29B119.8 (10)
C20A—C25A—H25A120.3C27B—C28B—H28B120.1
C24A—C25A—H25A120.3C29B—C28B—H28B120.1
C27A—C26A—C31A121.5 (9)C30B—C29B—C28B121.0 (10)
C27A—C26A—O10A114.8 (9)C30B—C29B—H29B119.5
C31A—C26A—O10A123.7 (9)C28B—C29B—H29B119.5
C26A—C27A—C28A119.2 (10)C29B—C30B—C31B120.5 (10)
C26A—C27A—H27A120.4C29B—C30B—H30B119.7
C28A—C27A—H27A120.4C31B—C30B—H30B119.7
C29A—C28A—C27A120.1 (10)C30B—C31B—C26B119.1 (9)
C29A—C28A—H28A120.0C30B—C31B—H31B120.4
C27A—C28A—H28A120.0C26B—C31B—H31B120.4
C30A—C29A—C28A120.4 (10)C37B—C32B—C33B121.2 (9)
C30A—C29A—H29A119.8C37B—C32B—O11B120.4 (8)
C28A—C29A—H29A119.8C33B—C32B—O11B118.3 (8)
C29A—C30A—C31A121.7 (10)C32B—C33B—C34B119.0 (9)
C29A—C30A—H30A119.1C32B—C33B—H33B120.5
C31A—C30A—H30A119.1C34B—C33B—H33B120.5
C30A—C31A—C26A117.1 (10)C33B—C34B—C35B120.8 (9)
C30A—C31A—H31A121.4C33B—C34B—H34B119.6
C26A—C31A—H31A121.4C35B—C34B—H34B119.6
C37A—C32A—C33A122.2 (10)C34B—C35B—C36B119.6 (9)
C37A—C32A—O11A120.1 (10)C34B—C35B—H35B120.2
C33A—C32A—O11A117.7 (9)C36B—C35B—H35B120.2
C32A—C33A—C34A118.8 (11)C35B—C36B—C37B118.4 (9)
C32A—C33A—H33A120.6C35B—C36B—H36B120.8
C34A—C33A—H33A120.6C37B—C36B—H36B120.8
C35A—C34A—C33A120.6 (12)C32B—C37B—C36B121.0 (9)
C35A—C34A—H34A119.7C32B—C37B—H37B119.5
C33A—C34A—H34A119.7C36B—C37B—H37B119.5
C34A—C35A—C36A119.8 (11)O12B—C38B—C39B121.9 (13)
C34A—C35A—H35A120.1O12B—C38B—C43B117.7 (14)
C36A—C35A—H35A120.1C39B—C38B—C43B120.5 (12)
C35A—C36A—C37A120.6 (11)C40B—C39B—C38B119.2 (12)
C35A—C36A—H36A119.7C40B—C39B—H39B120.4
C37A—C36A—H36A119.7C38B—C39B—H39B120.4
C32A—C37A—C36A117.9 (11)C39B—C40B—C41B121.7 (14)
C32A—C37A—H37A121.0C39B—C40B—H40B119.1
C36A—C37A—H37A121.0C41B—C40B—H40B119.1
C43A—C38A—O12A115.3 (9)C40B—C41B—C42B118.1 (13)
C43A—C38A—C39A120.7 (9)C40B—C41B—H41B120.9
O12A—C38A—C39A123.7 (8)C42B—C41B—H41B120.9
C40A—C39A—C38A120.8 (9)C43B—C42B—C41B118.5 (14)
C40A—C39A—H39A119.6C43B—C42B—H42B120.7
C38A—C39A—H39A119.6C41B—C42B—H42B120.7
C39A—C40A—C41A118.8 (10)C42B—C43B—C38B120.0 (14)
C39A—C40A—H40A120.6C42B—C43B—H43B120.0
C41A—C40A—H40A120.6C38B—C43B—H43B120.0
C42A—C41A—C40A121.6 (10)C43C—C38C—C39C119.4 (18)
C42A—C41A—H41A119.2C43C—C38C—O12B122.1 (18)
C40A—C41A—H41A119.2C39C—C38C—O12B118.5 (17)
C41A—C42A—C43A118.6 (9)C40C—C39C—C38C118.5 (18)
C41A—C42A—H42A120.7C40C—C39C—H39C120.8
C43A—C42A—H42A120.7C38C—C39C—H39C120.8
C38A—C43A—C42A119.3 (10)C39C—C40C—C41C121 (2)
C38A—C43A—H43A120.3C39C—C40C—H40C119.5
C42A—C43A—H43A120.3C41C—C40C—H40C119.5
O1A—C44A—Ru1A173.7 (8)C40C—C41C—C42C117.0 (18)
O2A—C45A—Ru1A176.5 (10)C40C—C41C—H41C121.5
O3A—C46A—Ru1A172.6 (8)C42C—C41C—H41C121.5
O4A—C47A—Ru2A172.7 (9)C43C—C42C—C41C120.1 (17)
O5A—C48A—Ru2A177.1 (10)C43C—C42C—H42C120.0
O6A—C49A—Ru2A171.9 (9)C41C—C42C—H42C120.0
O7A—C50A—Ru3A172.7 (8)C42C—C43C—C38C120.0 (18)
O8A—C51A—Ru3A176.1 (8)C42C—C43C—H43C120.0
O9A—C52A—Ru3A173.0 (8)C38C—C43C—H43C120.0
C45B—Ru1B—C46B88.0 (4)O1B—C44B—Ru1B174.0 (8)
C45B—Ru1B—C44B97.7 (4)O2B—C45B—Ru1B176.7 (10)
C46B—Ru1B—C44B173.8 (4)O3B—C46B—Ru1B174.8 (8)
C45B—Ru1B—As1B101.4 (3)O4B—C47B—Ru2B173.4 (8)
C46B—Ru1B—As1B95.1 (3)O5B—C48B—Ru2B177.0 (10)
C44B—Ru1B—As1B86.2 (3)O6B—C49B—Ru2B173.3 (8)
C45B—Ru1B—Ru3B105.8 (3)O7B—C50B—Ru3B173.7 (7)
C46B—Ru1B—Ru3B82.5 (3)O8B—C51B—Ru3B176.1 (8)
C44B—Ru1B—Ru3B93.6 (2)O9B—C52B—Ru3B173.0 (9)
As1B—Ru1B—Ru3B152.57 (3)
C45A—Ru1A—Ru2A—C47A85.1 (12)Ru3B—Ru1B—Ru2B—C47B100.1 (3)
C44A—Ru1A—Ru2A—C47A159.7 (4)C45B—Ru1B—Ru2B—C49B−78.3 (13)
C46A—Ru1A—Ru2A—C47A−18.7 (4)C46B—Ru1B—Ru2B—C49B−157.5 (4)
As1A—Ru1A—Ru2A—C47A−104.1 (3)C44B—Ru1B—Ru2B—C49B21.6 (4)
Ru3A—Ru1A—Ru2A—C47A77.4 (3)As1B—Ru1B—Ru2B—C49B107.5 (3)
C45A—Ru1A—Ru2A—C48A−4.5 (16)Ru3B—Ru1B—Ru2B—C49B−75.8 (3)
C44A—Ru1A—Ru2A—C48A70.0 (11)C45B—Ru1B—Ru2B—As2B−170.1 (13)
C46A—Ru1A—Ru2A—C48A−108.3 (11)C46B—Ru1B—Ru2B—As2B110.8 (3)
As1A—Ru1A—Ru2A—C48A166.2 (11)C44B—Ru1B—Ru2B—As2B−70.1 (3)
Ru3A—Ru1A—Ru2A—C48A−12.2 (11)As1B—Ru1B—Ru2B—As2B15.70 (4)
C45A—Ru1A—Ru2A—C49A−92.2 (12)Ru3B—Ru1B—Ru2B—As2B−167.52 (4)
C44A—Ru1A—Ru2A—C49A−17.6 (4)C45B—Ru1B—Ru2B—Ru3B−2.5 (13)
C46A—Ru1A—Ru2A—C49A164.0 (4)C46B—Ru1B—Ru2B—Ru3B−81.7 (3)
As1A—Ru1A—Ru2A—C49A78.6 (3)C44B—Ru1B—Ru2B—Ru3B97.4 (3)
Ru3A—Ru1A—Ru2A—C49A−99.9 (3)As1B—Ru1B—Ru2B—Ru3B−176.78 (4)
C45A—Ru1A—Ru2A—As2A176.1 (12)C45B—Ru1B—Ru3B—C51B−151.8 (8)
C44A—Ru1A—Ru2A—As2A−109.3 (3)C46B—Ru1B—Ru3B—C51B122.5 (8)
C46A—Ru1A—Ru2A—As2A72.3 (3)C44B—Ru1B—Ru3B—C51B−52.7 (7)
As1A—Ru1A—Ru2A—As2A−13.14 (4)As1B—Ru1B—Ru3B—C51B35.9 (7)
Ru3A—Ru1A—Ru2A—As2A168.37 (4)Ru2B—Ru1B—Ru3B—C51B28.9 (7)
C45A—Ru1A—Ru2A—Ru3A7.7 (12)C45B—Ru1B—Ru3B—C52B101.6 (4)
C44A—Ru1A—Ru2A—Ru3A82.3 (3)C46B—Ru1B—Ru3B—C52B15.8 (4)
C46A—Ru1A—Ru2A—Ru3A−96.1 (3)C44B—Ru1B—Ru3B—C52B−159.3 (4)
As1A—Ru1A—Ru2A—Ru3A178.49 (4)As1B—Ru1B—Ru3B—C52B−70.8 (3)
C45A—Ru1A—Ru3A—C51A153.0 (7)Ru2B—Ru1B—Ru3B—C52B−77.8 (3)
C44A—Ru1A—Ru3A—C51A−120.3 (7)C45B—Ru1B—Ru3B—C50B−78.5 (4)
C46A—Ru1A—Ru3A—C51A55.8 (7)C46B—Ru1B—Ru3B—C50B−164.3 (4)
As1A—Ru1A—Ru3A—C51A−32.4 (6)C44B—Ru1B—Ru3B—C50B20.5 (3)
Ru2A—Ru1A—Ru3A—C51A−29.1 (6)As1B—Ru1B—Ru3B—C50B109.1 (2)
C45A—Ru1A—Ru3A—C50A−101.9 (4)Ru2B—Ru1B—Ru3B—C50B102.1 (2)
C44A—Ru1A—Ru3A—C50A−15.2 (4)C45B—Ru1B—Ru3B—P1B7.5 (3)
C46A—Ru1A—Ru3A—C50A161.0 (4)C46B—Ru1B—Ru3B—P1B−78.3 (3)
As1A—Ru1A—Ru3A—C50A72.8 (3)C44B—Ru1B—Ru3B—P1B106.6 (3)
Ru2A—Ru1A—Ru3A—C50A76.0 (3)As1B—Ru1B—Ru3B—P1B−164.88 (10)
C45A—Ru1A—Ru3A—C52A76.2 (4)Ru2B—Ru1B—Ru3B—P1B−171.88 (7)
C44A—Ru1A—Ru3A—C52A162.9 (4)C45B—Ru1B—Ru3B—Ru2B179.3 (3)
C46A—Ru1A—Ru3A—C52A−20.9 (4)C46B—Ru1B—Ru3B—Ru2B93.6 (3)
As1A—Ru1A—Ru3A—C52A−109.1 (2)C44B—Ru1B—Ru3B—Ru2B−81.6 (3)
Ru2A—Ru1A—Ru3A—C52A−105.9 (2)As1B—Ru1B—Ru3B—Ru2B7.00 (8)
C45A—Ru1A—Ru3A—P1A−10.0 (3)C48B—Ru2B—Ru3B—C51B18.2 (5)
C44A—Ru1A—Ru3A—P1A76.7 (3)C47B—Ru2B—Ru3B—C51B109.9 (4)
C46A—Ru1A—Ru3A—P1A−107.1 (3)C49B—Ru2B—Ru3B—C51B−69.3 (4)
As1A—Ru1A—Ru3A—P1A164.70 (10)As2B—Ru2B—Ru3B—C51B−142.1 (3)
Ru2A—Ru1A—Ru3A—P1A167.93 (7)Ru1B—Ru2B—Ru3B—C51B−169.0 (3)
C45A—Ru1A—Ru3A—Ru2A−177.9 (3)C48B—Ru2B—Ru3B—C52B−71.8 (5)
C44A—Ru1A—Ru3A—Ru2A−91.2 (3)C47B—Ru2B—Ru3B—C52B19.9 (4)
C46A—Ru1A—Ru3A—Ru2A85.0 (3)C49B—Ru2B—Ru3B—C52B−159.2 (4)
As1A—Ru1A—Ru3A—Ru2A−3.23 (8)As2B—Ru2B—Ru3B—C52B127.9 (3)
C47A—Ru2A—Ru3A—C51A72.7 (4)Ru1B—Ru2B—Ru3B—C52B101.0 (3)
C48A—Ru2A—Ru3A—C51A−16.4 (5)C48B—Ru2B—Ru3B—C50B110.9 (4)
C49A—Ru2A—Ru3A—C51A−109.2 (4)C47B—Ru2B—Ru3B—C50B−157.4 (4)
As2A—Ru2A—Ru3A—C51A141.3 (3)C49B—Ru2B—Ru3B—C50B23.4 (4)
Ru1A—Ru2A—Ru3A—C51A167.7 (3)As2B—Ru2B—Ru3B—C50B−49.5 (2)
C47A—Ru2A—Ru3A—C50A162.6 (4)Ru1B—Ru2B—Ru3B—C50B−76.3 (2)
C48A—Ru2A—Ru3A—C50A73.5 (5)C48B—Ru2B—Ru3B—P1B−152.1 (4)
C49A—Ru2A—Ru3A—C50A−19.4 (4)C47B—Ru2B—Ru3B—P1B−60.5 (3)
As2A—Ru2A—Ru3A—C50A−128.9 (3)C49B—Ru2B—Ru3B—P1B120.4 (3)
Ru1A—Ru2A—Ru3A—C50A−102.4 (3)As2B—Ru2B—Ru3B—P1B47.5 (2)
C47A—Ru2A—Ru3A—C52A−20.7 (4)Ru1B—Ru2B—Ru3B—P1B20.64 (17)
C48A—Ru2A—Ru3A—C52A−109.9 (4)C48B—Ru2B—Ru3B—Ru1B−172.8 (4)
C49A—Ru2A—Ru3A—C52A157.3 (4)C47B—Ru2B—Ru3B—Ru1B−81.1 (3)
As2A—Ru2A—Ru3A—C52A47.8 (3)C49B—Ru2B—Ru3B—Ru1B99.7 (3)
Ru1A—Ru2A—Ru3A—C52A74.2 (2)As2B—Ru2B—Ru3B—Ru1B26.88 (8)
C47A—Ru2A—Ru3A—P1A−125.1 (3)C45B—Ru1B—As1B—C7B−86.5 (4)
C48A—Ru2A—Ru3A—P1A145.7 (4)C46B—Ru1B—As1B—C7B2.4 (4)
C49A—Ru2A—Ru3A—P1A52.9 (3)C44B—Ru1B—As1B—C7B176.3 (4)
As2A—Ru2A—Ru3A—P1A−56.58 (19)Ru3B—Ru1B—As1B—C7B86.0 (3)
Ru1A—Ru2A—Ru3A—P1A−30.11 (16)Ru2B—Ru1B—As1B—C7B92.0 (3)
C47A—Ru2A—Ru3A—Ru1A−95.0 (3)C45B—Ru1B—As1B—C1B35.6 (4)
C48A—Ru2A—Ru3A—Ru1A175.9 (4)C46B—Ru1B—As1B—C1B124.6 (4)
C49A—Ru2A—Ru3A—Ru1A83.0 (3)C44B—Ru1B—As1B—C1B−61.5 (4)
As2A—Ru2A—Ru3A—Ru1A−26.47 (8)Ru3B—Ru1B—As1B—C1B−151.9 (3)
C45A—Ru1A—As1A—C7A84.8 (4)Ru2B—Ru1B—As1B—C1B−145.9 (3)
C44A—Ru1A—As1A—C7A−5.5 (4)C45B—Ru1B—As1B—C13B149.0 (4)
C46A—Ru1A—As1A—C7A179.8 (4)C46B—Ru1B—As1B—C13B−122.0 (4)
Ru3A—Ru1A—As1A—C7A−89.9 (3)C44B—Ru1B—As1B—C13B51.9 (4)
Ru2A—Ru1A—As1A—C7A−92.7 (3)Ru3B—Ru1B—As1B—C13B−38.5 (3)
C45A—Ru1A—As1A—C1A−37.4 (4)Ru2B—Ru1B—As1B—C13B−32.5 (3)
C44A—Ru1A—As1A—C1A−127.8 (4)C48B—Ru2B—As2B—C20B−62.6 (4)
C46A—Ru1A—As1A—C1A57.5 (4)C47B—Ru2B—As2B—C20B−153.6 (4)
Ru3A—Ru1A—As1A—C1A147.9 (3)C49B—Ru2B—As2B—C20B27.7 (4)
Ru2A—Ru1A—As1A—C1A145.1 (3)Ru3B—Ru2B—As2B—C20B97.5 (3)
C45A—Ru1A—As1A—C13A−151.3 (4)Ru1B—Ru2B—As2B—C20B120.5 (2)
C44A—Ru1A—As1A—C13A118.3 (4)C48B—Ru2B—As2B—C13B178.8 (5)
C46A—Ru1A—As1A—C13A−56.4 (4)C47B—Ru2B—As2B—C13B87.8 (4)
Ru3A—Ru1A—As1A—C13A34.0 (3)C49B—Ru2B—As2B—C13B−90.9 (4)
Ru2A—Ru1A—As1A—C13A31.2 (3)Ru3B—Ru2B—As2B—C13B−21.0 (3)
C47A—Ru2A—As2A—C20A−36.1 (4)Ru1B—Ru2B—As2B—C13B2.0 (3)
C48A—Ru2A—As2A—C20A55.7 (5)C48B—Ru2B—As2B—C14B53.0 (5)
C49A—Ru2A—As2A—C20A147.5 (4)C47B—Ru2B—As2B—C14B−38.0 (4)
Ru3A—Ru2A—As2A—C20A−101.8 (3)C49B—Ru2B—As2B—C14B143.2 (4)
Ru1A—Ru2A—As2A—C20A−124.5 (3)Ru3B—Ru2B—As2B—C14B−146.9 (3)
C47A—Ru2A—As2A—C14A−150.3 (4)Ru1B—Ru2B—As2B—C14B−123.9 (3)
C48A—Ru2A—As2A—C14A−58.5 (5)C51B—Ru3B—P1B—O11B−146.9 (4)
C49A—Ru2A—As2A—C14A33.3 (4)C52B—Ru3B—P1B—O11B−54.9 (4)
Ru3A—Ru2A—As2A—C14A144.0 (3)C50B—Ru3B—P1B—O11B122.1 (4)
Ru1A—Ru2A—As2A—C14A121.3 (3)Ru1B—Ru3B—P1B—O11B41.3 (3)
C47A—Ru2A—As2A—C13A83.3 (4)Ru2B—Ru3B—P1B—O11B23.2 (4)
C48A—Ru2A—As2A—C13A175.1 (5)C51B—Ru3B—P1B—O10B−26.3 (4)
C49A—Ru2A—As2A—C13A−93.1 (4)C52B—Ru3B—P1B—O10B65.7 (4)
Ru3A—Ru2A—As2A—C13A17.6 (3)C50B—Ru3B—P1B—O10B−117.3 (4)
Ru1A—Ru2A—As2A—C13A−5.2 (3)Ru1B—Ru3B—P1B—O10B161.9 (3)
C51A—Ru3A—P1A—O12A−124.1 (4)Ru2B—Ru3B—P1B—O10B143.8 (3)
C50A—Ru3A—P1A—O12A144.6 (4)C51B—Ru3B—P1B—O12B94.8 (4)
C52A—Ru3A—P1A—O12A−32.4 (4)C52B—Ru3B—P1B—O12B−173.1 (4)
Ru1A—Ru3A—P1A—O12A48.2 (3)C50B—Ru3B—P1B—O12B3.8 (4)
Ru2A—Ru3A—P1A—O12A74.3 (4)Ru1B—Ru3B—P1B—O12B−76.9 (3)
C51A—Ru3A—P1A—O11A4.0 (4)Ru2B—Ru3B—P1B—O12B−95.0 (3)
C50A—Ru3A—P1A—O11A−87.3 (4)O11B—P1B—O10B—C26B163.7 (7)
C52A—Ru3A—P1A—O11A95.7 (4)O12B—P1B—O10B—C26B−91.6 (7)
Ru1A—Ru3A—P1A—O11A176.3 (3)Ru3B—P1B—O10B—C26B32.6 (8)
Ru2A—Ru3A—P1A—O11A−157.5 (3)O10B—P1B—O11B—C32B−8.4 (8)
C51A—Ru3A—P1A—O10A123.2 (4)O12B—P1B—O11B—C32B−114.5 (7)
C50A—Ru3A—P1A—O10A31.9 (4)Ru3B—P1B—O11B—C32B123.2 (7)
C52A—Ru3A—P1A—O10A−145.1 (4)O11B—P1B—O12B—C38B43.5 (12)
Ru1A—Ru3A—P1A—O10A−64.4 (3)O10B—P1B—O12B—C38B−57.5 (12)
Ru2A—Ru3A—P1A—O10A−38.3 (4)Ru3B—P1B—O12B—C38B172.0 (11)
O12A—P1A—O10A—C26A63.0 (9)O11B—P1B—O12B—C38C39.3 (12)
O11A—P1A—O10A—C26A−39.9 (9)O10B—P1B—O12B—C38C−61.8 (12)
Ru3A—P1A—O10A—C26A−170.5 (7)Ru3B—P1B—O12B—C38C167.7 (11)
O12A—P1A—O11A—C32A147.5 (8)C7B—As1B—C1B—C2B−50.7 (8)
O10A—P1A—O11A—C32A−111.9 (8)C13B—As1B—C1B—C2B58.4 (8)
Ru3A—P1A—O11A—C32A11.3 (9)Ru1B—As1B—C1B—C2B179.7 (6)
O11A—P1A—O12A—C38A−36.0 (9)C7B—As1B—C1B—C6B134.4 (7)
O10A—P1A—O12A—C38A−140.0 (8)C13B—As1B—C1B—C6B−116.5 (7)
Ru3A—P1A—O12A—C38A101.0 (8)Ru1B—As1B—C1B—C6B4.7 (8)
C7A—As1A—C1A—C6A−131.5 (7)C6B—C1B—C2B—C3B−1.3 (13)
C13A—As1A—C1A—C6A120.8 (7)As1B—C1B—C2B—C3B−176.2 (7)
Ru1A—As1A—C1A—C6A−1.8 (8)C1B—C2B—C3B—C4B0.6 (14)
C7A—As1A—C1A—C2A49.3 (7)C2B—C3B—C4B—C5B−0.9 (15)
C13A—As1A—C1A—C2A−58.3 (7)C3B—C4B—C5B—C6B1.8 (15)
Ru1A—As1A—C1A—C2A179.1 (6)C4B—C5B—C6B—C1B−2.4 (14)
C6A—C1A—C2A—C3A−1.4 (13)C2B—C1B—C6B—C5B2.2 (13)
As1A—C1A—C2A—C3A177.8 (6)As1B—C1B—C6B—C5B177.0 (7)
C1A—C2A—C3A—C4A1.5 (13)C1B—As1B—C7B—C12B−79.3 (7)
C2A—C3A—C4A—C5A−1.7 (13)C13B—As1B—C7B—C12B178.6 (6)
C3A—C4A—C5A—C6A1.8 (13)Ru1B—As1B—C7B—C12B51.3 (7)
C2A—C1A—C6A—C5A1.5 (13)C1B—As1B—C7B—C8B102.7 (8)
As1A—C1A—C6A—C5A−177.7 (6)C13B—As1B—C7B—C8B0.6 (8)
C4A—C5A—C6A—C1A−1.7 (13)Ru1B—As1B—C7B—C8B−126.8 (7)
C1A—As1A—C7A—C8A−99.9 (8)C12B—C7B—C8B—C9B0.5 (13)
C13A—As1A—C7A—C8A1.2 (8)As1B—C7B—C8B—C9B178.5 (7)
Ru1A—As1A—C7A—C8A129.3 (7)C7B—C8B—C9B—C10B−0.8 (14)
C1A—As1A—C7A—C12A81.3 (7)C8B—C9B—C10B—C11B1.2 (14)
C13A—As1A—C7A—C12A−177.5 (7)C9B—C10B—C11B—C12B−1.3 (14)
Ru1A—As1A—C7A—C12A−49.5 (7)C10B—C11B—C12B—C7B1.0 (14)
C12A—C7A—C8A—C9A1.4 (14)C8B—C7B—C12B—C11B−0.6 (13)
As1A—C7A—C8A—C9A−177.3 (7)As1B—C7B—C12B—C11B−178.8 (7)
C7A—C8A—C9A—C10A−1.1 (15)C20B—As2B—C13B—As1B−149.4 (4)
C8A—C9A—C10A—C11A0.3 (15)C14B—As2B—C13B—As1B109.3 (5)
C9A—C10A—C11A—C12A0.1 (15)Ru2B—As2B—C13B—As1B−24.6 (5)
C10A—C11A—C12A—C7A0.2 (15)C7B—As1B—C13B—As2B−90.3 (5)
C8A—C7A—C12A—C11A−0.9 (14)C1B—As1B—C13B—As2B165.0 (5)
As1A—C7A—C12A—C11A177.8 (7)Ru1B—As1B—C13B—As2B39.5 (5)
C20A—As2A—C13A—As1A152.3 (4)C20B—As2B—C14B—C19B−75.1 (7)
C14A—As2A—C13A—As1A−107.3 (4)C13B—As2B—C14B—C19B30.1 (8)
Ru2A—As2A—C13A—As1A27.0 (5)Ru2B—As2B—C14B—C19B160.9 (6)
C7A—As1A—C13A—As2A89.5 (5)C20B—As2B—C14B—C15B97.3 (7)
C1A—As1A—C13A—As2A−166.3 (4)C13B—As2B—C14B—C15B−157.5 (7)
Ru1A—As1A—C13A—As2A−40.3 (5)Ru2B—As2B—C14B—C15B−26.6 (8)
C20A—As2A—C14A—C15A−94.7 (7)C19B—C14B—C15B—C16B1.6 (14)
C13A—As2A—C14A—C15A159.2 (6)As2B—C14B—C15B—C16B−171.1 (7)
Ru2A—As2A—C14A—C15A28.6 (7)C14B—C15B—C16B—C17B−3.0 (15)
C20A—As2A—C14A—C19A76.5 (7)C15B—C16B—C17B—C18B2.1 (14)
C13A—As2A—C14A—C19A−29.6 (7)C15B—C14B—C19B—C18B0.7 (13)
Ru2A—As2A—C14A—C19A−160.2 (6)As2B—C14B—C19B—C18B173.1 (6)
C19A—C14A—C15A—C16A1.2 (13)C14B—C19B—C18B—C17B−1.6 (13)
As2A—C14A—C15A—C16A172.7 (7)C16B—C17B—C18B—C19B0.1 (14)
C14A—C15A—C16A—C17A−1.0 (14)C13B—As2B—C20B—C21B164.8 (7)
C15A—C16A—C17A—C18A0.4 (14)C14B—As2B—C20B—C21B−88.9 (7)
C16A—C17A—C18A—C19A−0.1 (14)Ru2B—As2B—C20B—C21B39.4 (7)
C17A—C18A—C19A—C14A0.3 (13)C13B—As2B—C20B—C25B−21.0 (8)
C15A—C14A—C19A—C18A−0.9 (13)C14B—As2B—C20B—C25B85.4 (8)
As2A—C14A—C19A—C18A−172.0 (7)Ru2B—As2B—C20B—C25B−146.4 (7)
C14A—As2A—C20A—C25A−88.8 (7)C25B—C20B—C21B—C22B0.2 (13)
C13A—As2A—C20A—C25A18.2 (8)As2B—C20B—C21B—C22B174.8 (7)
Ru2A—As2A—C20A—C25A143.3 (6)C20B—C21B—C22B—C23B−0.9 (14)
C14A—As2A—C20A—C21A85.1 (7)C21B—C22B—C23B—C24B0.9 (14)
C13A—As2A—C20A—C21A−168.0 (6)C22B—C23B—C24B—C25B−0.3 (14)
Ru2A—As2A—C20A—C21A−42.8 (7)C23B—C24B—C25B—C20B−0.4 (14)
C25A—C20A—C21A—C22A−0.2 (13)C21B—C20B—C25B—C24B0.4 (13)
As2A—C20A—C21A—C22A−174.1 (7)As2B—C20B—C25B—C24B−173.9 (7)
C20A—C21A—C22A—C23A−0.4 (13)P1B—O10B—C26B—C27B−113.5 (9)
C21A—C22A—C23A—C24A0.8 (14)P1B—O10B—C26B—C31B69.0 (10)
C22A—C23A—C24A—C25A−0.6 (14)O10B—C26B—C27B—C28B−176.5 (9)
C21A—C20A—C25A—C24A0.3 (13)C31B—C26B—C27B—C28B1.1 (15)
As2A—C20A—C25A—C24A173.8 (7)C26B—C27B—C28B—C29B−0.3 (17)
C23A—C24A—C25A—C20A0.1 (14)C27B—C28B—C29B—C30B−0.4 (17)
P1A—O10A—C26A—C27A152.0 (8)C28B—C29B—C30B—C31B0.2 (16)
P1A—O10A—C26A—C31A−29.4 (14)C29B—C30B—C31B—C26B0.7 (14)
C31A—C26A—C27A—C28A−0.6 (17)C27B—C26B—C31B—C30B−1.3 (14)
O10A—C26A—C27A—C28A178.0 (10)O10B—C26B—C31B—C30B176.1 (8)
C26A—C27A—C28A—C29A−0.4 (17)P1B—O11B—C32B—C37B−106.0 (10)
C27A—C28A—C29A—C30A1.5 (16)P1B—O11B—C32B—C33B76.9 (9)
C28A—C29A—C30A—C31A−1.7 (16)C37B—C32B—C33B—C34B−0.2 (13)
C29A—C30A—C31A—C26A0.7 (15)O11B—C32B—C33B—C34B176.9 (7)
C27A—C26A—C31A—C30A0.4 (16)C32B—C33B—C34B—C35B−0.9 (13)
O10A—C26A—C31A—C30A−178.0 (9)C33B—C34B—C35B—C36B0.8 (14)
P1A—O11A—C32A—C37A79.0 (11)C34B—C35B—C36B—C37B0.4 (15)
P1A—O11A—C32A—C33A−101.5 (10)C33B—C32B—C37B—C36B1.4 (15)
C37A—C32A—C33A—C34A1.8 (16)O11B—C32B—C37B—C36B−175.7 (9)
O11A—C32A—C33A—C34A−177.7 (9)C35B—C36B—C37B—C32B−1.5 (16)
C32A—C33A—C34A—C35A−1.9 (17)C38C—O12B—C38B—C39B99 (8)
C33A—C34A—C35A—C36A2.0 (19)P1B—O12B—C38B—C39B80 (2)
C34A—C35A—C36A—C37A−2(2)C38C—O12B—C38B—C43B−82 (7)
C33A—C32A—C37A—C36A−1.7 (17)P1B—O12B—C38B—C43B−100 (2)
O11A—C32A—C37A—C36A177.8 (10)O12B—C38B—C39B—C40B−177 (2)
C35A—C36A—C37A—C32A1.8 (19)C43B—C38B—C39B—C40B3(3)
P1A—O12A—C38A—C43A−134.9 (9)C38B—C39B—C40B—C41B−3(4)
P1A—O12A—C38A—C39A50.9 (13)C39B—C40B—C41B—C42B−7(4)
C43A—C38A—C39A—C40A−1.3 (15)C40B—C41B—C42B—C43B16 (4)
O12A—C38A—C39A—C40A172.6 (9)C41B—C42B—C43B—C38B−15 (4)
C38A—C39A—C40A—C41A3.8 (15)O12B—C38B—C43B—C42B−174 (2)
C39A—C40A—C41A—C42A−2.1 (16)C39B—C38B—C43B—C42B6(4)
C40A—C41A—C42A—C43A−2.0 (16)C38B—O12B—C38C—C43C103 (8)
O12A—C38A—C43A—C42A−177.3 (9)P1B—O12B—C38C—C43C−93 (3)
C39A—C38A—C43A—C42A−2.9 (15)C38B—O12B—C38C—C39C−79 (7)
C41A—C42A—C43A—C38A4.5 (15)P1B—O12B—C38C—C39C85 (3)
C45B—Ru1B—Ru2B—C48B19.1 (17)C43C—C38C—C39C—C40C−19 (5)
C46B—Ru1B—Ru2B—C48B−60.0 (11)O12B—C38C—C39C—C40C163 (3)
C44B—Ru1B—Ru2B—C48B119.1 (11)C38C—C39C—C40C—C41C23 (6)
As1B—Ru1B—Ru2B—C48B−155.1 (11)C39C—C40C—C41C—C42C−19 (6)
Ru3B—Ru1B—Ru2B—C48B21.7 (11)C40C—C41C—C42C—C43C10 (4)
C45B—Ru1B—Ru2B—C47B97.6 (13)C41C—C42C—C43C—C38C−6(4)
C46B—Ru1B—Ru2B—C47B18.4 (4)C39C—C38C—C43C—C42C10 (5)
C44B—Ru1B—Ru2B—C47B−162.5 (4)O12B—C38C—C43C—C42C−172 (3)
As1B—Ru1B—Ru2B—C47B−76.7 (3)
Cg1, Cg2, Cg3 , Cg4, Cg5, Cg6 and Cg7 are the centroids of the C1B–C6B, C1A–C6A, C14A–C19A, C14A–C19A, C7A–C12A, C20B–C25B and C20A–C25A benzene rings, respectively.
D—H···AD—HH···AD···AD—H···A
C31A—H31A···O12A0.932.423.014 (13)121
C39A—H39A···O11A0.932.382.959 (11)120
C43B—H43B···O2B0.932.533.42 (2)158
C11A—H11A···Cg1i0.932.953.742 (12)144
C11B—H11B···Cg2ii0.932.853.664 (10)147
C16A—H16A···Cg1iii0.932.823.668 (10)151
C16B—H16B···Cg20.932.823.627 (10)146
C24A—H24A···Cg3iv0.932.963.719 (10)140
C24B—H24B···Cg4v0.932.913.679 (10)141
C36B—H36B···Cg5ii0.932.853.756 (12)166
C40A—H40A···Cg6vi0.932.823.660 (10)150
C40B—H40B···Cg7vii0.932.713.55 (2)150
C40C—H40C···Cg7vii0.932.703.56 (3)154
Table 1

Hydrogen-bond geometry (Å, °)

Cg1, Cg2, Cg3, Cg4, Cg5, Cg6 and Cg7 are the centroids of the C1B–C6B, C1A–C6A, C14A–C19A, C14A–C19A, C7A–C12A, C20B–C25B and C20A–C25A benzene rings, respectively.

D—H⋯AD—HH⋯ADAD—H⋯A
C31A—H31A⋯O12A0.932.423.014 (13)121
C39A—H39A⋯O11A0.932.382.959 (11)120
C43B—H43B⋯O2B0.932.533.42 (2)158
C11A—H11ACg1i0.932.953.742 (12)144
C11B—H11BCg2ii0.932.853.664 (10)147
C16A—H16ACg1iii0.932.823.668 (10)151
C16B—H16BCg20.932.823.627 (10)146
C24A—H24ACg3iv0.932.963.719 (10)140
C24B—H24BCg4v0.932.913.679 (10)141
C36B—H36BCg5ii0.932.853.756 (12)166
C40A—H40ACg6vi0.932.823.660 (10)150
C40B—H40BCg7vii0.932.713.55 (2)150
C40C—H40CCg7vii0.932.703.56 (3)154

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) .

  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
  1 in total

1.  Undeca-carbonyl-1κC,2κC,3κC-[tris-(2-chloro-eth-yl) phosphite-1κP]-triangulo-triruthenium(0).

Authors:  Omar Bin Shawkataly; Syed Sauban Ghani; Rajabathar Jothiramalingam; Chin Sing Yeap; Hoong-Kun Fun
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-09-04
  1 in total

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