Literature DB >> 21522877

[μ-Bis(diphenyl-arsan-yl)methane-1:2κAs:As']nona-carbonyl-1κC,2κC,3κC-[tris-(biphenyl-4-yl)arsane-3κAs]-triangulo-triruthenium(0).

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

Abstract

In the title triangulo-triruthenium compound, [Ru(3)(C(25)H(22)As(2))(C(36)H(27)As)(CO)(9)], the bis-(diphenyl-arsan-yl)methane ligand bridges an Ru-Ru bond and the monodentate arsine ligand bonds to the third Ru atom. Both arsine ligands are equatorial with respect to the Ru(3) triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The phenyl rings of biphenyl are twisted from each other by dihedral angles of 50.5 (2), 44.5 (2) and 27.8 (2)°. The arsine-substituted phenyl rings make dihedral angles of 61.56 (18), 89.36 (18) and 83.27 (18)° with each other. The dihedral angles between the two benzene rings are 87.5 (2) and 81.95 (19)° for the two diphenyl-arsanyl groups. In the crystal, mol-ecules are linked into dimers by inter-molecular C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π and π-π [centroid-centroid distance = 3.601 (3) Å] inter-actions stabilize the crystal structure.

Entities:  

Year:  2011        PMID: 21522877      PMCID: PMC3051569          DOI: 10.1107/S1600536811000237

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 ▶, 2010 ▶, 2011 ▶). For the synthesis of Ru3(CO)10(μ-Ph2AsCH2AsPh2), see: Bruce et al. (1983 ▶). For the stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986 ▶).

Experimental

Crystal data

[Ru3(C25H22As2)(C36H27As)(CO)9] M = 1562.06 Triclinic, a = 10.906 (4) Å b = 12.706 (4) Å c = 22.467 (8) Å α = 81.249 (7)° β = 82.529 (7)° γ = 79.301 (7)° V = 3006.8 (18) Å3 Z = 2 Mo Kα radiation μ = 2.44 mm−1 T = 100 K 0.47 × 0.28 × 0.04 mm

Data collection

Bruker APEXII DUO CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2009 ▶) T min = 0.396, T max = 0.900 60960 measured reflections 17294 independent reflections 13951 reflections with I > 2σ(I) R int = 0.035

Refinement

R[F 2 > 2σ(F 2)] = 0.037 wR(F 2) = 0.125 S = 1.11 17294 reflections 766 parameters H-atom parameters constrained Δρmax = 1.42 e Å−3 Δρmin = −0.69 e Å−3 Data collection: APEX2 (Bruker, 2009 ▶); cell refinement: SAINT (Bruker, 2009 ▶); 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/S1600536811000237/ng5094sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536811000237/ng5094Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Ru3(C25H22As2)(C36H27As)(CO)9]Z = 2
Mr = 1562.06F(000) = 1544
Triclinic, P1Dx = 1.725 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 10.906 (4) ÅCell parameters from 9876 reflections
b = 12.706 (4) Åθ = 2.3–30.5°
c = 22.467 (8) ŵ = 2.44 mm1
α = 81.249 (7)°T = 100 K
β = 82.529 (7)°Plate, brown
γ = 79.301 (7)°0.47 × 0.28 × 0.04 mm
V = 3006.8 (18) Å3
Bruker APEXII DUO CCD area-detector diffractometer17294 independent reflections
Radiation source: fine-focus sealed tube13951 reflections with I > 2σ(I)
graphiteRint = 0.035
φ and ω scansθmax = 30.0°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Bruker, 2009)h = −15→15
Tmin = 0.396, Tmax = 0.900k = −17→17
60960 measured reflectionsl = −31→31
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.037Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.125H-atom parameters constrained
S = 1.11w = 1/[σ2(Fo2) + (0.0711P)2 + 2.5556P] where P = (Fo2 + 2Fc2)/3
17294 reflections(Δ/σ)max = 0.002
766 parametersΔρmax = 1.42 e Å3
0 restraintsΔρmin = −0.69 e Å3
Experimental. The crystal was placed in the cold stream of an Oxford Cryosystems 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
Ru10.44108 (2)0.92843 (2)0.253548 (12)0.02048 (6)
Ru20.58866 (2)1.04717 (2)0.162270 (12)0.01983 (6)
Ru30.38188 (2)1.15999 (2)0.228422 (12)0.02075 (6)
As10.52503 (3)0.75926 (3)0.213296 (15)0.02132 (8)
As20.74808 (3)0.88704 (3)0.152447 (15)0.02072 (8)
As30.17838 (3)1.23444 (3)0.280517 (15)0.02213 (8)
O10.6586 (3)0.9230 (2)0.32959 (13)0.0382 (6)
O20.2911 (3)0.8313 (3)0.36551 (14)0.0465 (8)
O30.2142 (3)0.9602 (2)0.18087 (13)0.0366 (6)
O40.4396 (3)0.9664 (2)0.07621 (13)0.0350 (6)
O50.6568 (3)1.2174 (2)0.05907 (15)0.0463 (8)
O60.7302 (3)1.1421 (2)0.24529 (14)0.0388 (6)
O70.5028 (3)1.1435 (3)0.34625 (13)0.0397 (7)
O80.4739 (3)1.3675 (2)0.17452 (15)0.0472 (8)
O90.2656 (3)1.1786 (2)0.10916 (13)0.0378 (6)
C10.4086 (3)0.7024 (3)0.17372 (17)0.0268 (7)
C20.4295 (5)0.6828 (4)0.1139 (2)0.0499 (12)
H2A0.50200.69820.09010.060*
C30.3410 (5)0.6398 (5)0.0895 (2)0.0567 (14)
H3A0.35520.62660.04930.068*
C40.2339 (4)0.6168 (4)0.1237 (2)0.0466 (11)
H4A0.17760.58490.10770.056*
C50.2104 (4)0.6412 (4)0.1816 (2)0.0449 (10)
H5A0.13560.62920.20440.054*
C60.2976 (4)0.6839 (4)0.2071 (2)0.0400 (9)
H6A0.28060.70000.24670.048*
C70.5880 (3)0.6296 (3)0.26612 (16)0.0277 (7)
C80.6187 (4)0.5314 (3)0.24233 (19)0.0366 (9)
H8A0.60330.52750.20300.044*
C90.6727 (5)0.4394 (4)0.2783 (2)0.0502 (12)
H9A0.69230.37350.26310.060*
C100.6972 (5)0.4458 (4)0.3358 (2)0.0503 (12)
H10A0.73590.38450.35880.060*
C110.6650 (4)0.5422 (4)0.3601 (2)0.0447 (10)
H11A0.68030.54510.39950.054*
C120.6096 (4)0.6349 (3)0.32528 (18)0.0347 (8)
H12A0.58730.69990.34140.042*
C130.6673 (3)0.7630 (3)0.14990 (15)0.0237 (6)
H13A0.72760.69690.15590.028*
H13B0.63770.76790.11050.028*
C140.8584 (3)0.8817 (3)0.07756 (15)0.0239 (6)
C150.8105 (4)0.9325 (3)0.02406 (17)0.0310 (7)
H15A0.72810.96880.02500.037*
C160.8856 (4)0.9291 (3)−0.03056 (18)0.0371 (9)
H16A0.85300.9622−0.06630.045*
C171.0080 (4)0.8770 (3)−0.03219 (18)0.0377 (9)
H17A1.05880.8767−0.06880.045*
C181.0558 (4)0.8247 (4)0.0211 (2)0.0398 (9)
H18A1.13780.78760.01980.048*
C190.9814 (4)0.8277 (3)0.07604 (18)0.0321 (8)
H19A1.01390.79370.11170.038*
C200.8598 (3)0.8366 (3)0.21505 (16)0.0256 (7)
C210.8693 (3)0.7338 (3)0.24714 (17)0.0309 (8)
H21A0.82350.68510.23740.037*
C220.9464 (4)0.7020 (4)0.2938 (2)0.0410 (10)
H22A0.95110.63300.31530.049*
C231.0157 (4)0.7734 (4)0.30801 (19)0.0432 (10)
H23A1.06770.75200.33890.052*
C241.0083 (4)0.8766 (4)0.27672 (19)0.0373 (9)
H24A1.05480.92470.28660.045*
C250.9305 (3)0.9079 (3)0.23013 (17)0.0307 (7)
H25A0.92580.97710.20890.037*
C260.0669 (3)1.1485 (3)0.33440 (15)0.0248 (6)
C27−0.0622 (3)1.1680 (3)0.33075 (17)0.0299 (7)
H27A−0.09721.22340.30280.036*
C28−0.1389 (3)1.1042 (3)0.36908 (17)0.0316 (8)
H28A−0.22501.11810.36660.038*
C29−0.0885 (4)1.0199 (3)0.41117 (17)0.0299 (7)
C300.0399 (4)1.0030 (3)0.41462 (17)0.0334 (8)
H30A0.07540.94790.44270.040*
C310.1174 (3)1.0674 (3)0.37662 (17)0.0307 (7)
H31A0.20321.05520.38000.037*
C32−0.1709 (4)0.9485 (3)0.44922 (17)0.0324 (8)
C33−0.2813 (5)0.9903 (4)0.4816 (3)0.0561 (13)
H33A−0.30671.06470.47920.067*
C34−0.3548 (5)0.9212 (5)0.5179 (3)0.0611 (15)
H34A−0.42740.95080.54030.073*
C35−0.3238 (5)0.8134 (4)0.5214 (2)0.0501 (12)
H35A−0.37320.76820.54590.060*
C36−0.2184 (6)0.7728 (5)0.4880 (3)0.0623 (15)
H36A−0.19710.69840.48830.075*
C37−0.1404 (5)0.8397 (4)0.4530 (2)0.0526 (12)
H37A−0.06640.80890.43210.063*
C380.0643 (3)1.3146 (3)0.22350 (15)0.0230 (6)
C390.0431 (4)1.4272 (3)0.21494 (17)0.0304 (7)
H39A0.07711.46460.23940.037*
C40−0.0284 (4)1.4832 (3)0.16998 (18)0.0310 (8)
H40A−0.04011.55820.16400.037*
C41−0.0831 (3)1.4297 (3)0.13365 (15)0.0239 (6)
C42−0.0652 (3)1.3168 (3)0.14421 (17)0.0289 (7)
H42A−0.10381.27940.12150.035*
C430.0087 (4)1.2601 (3)0.18766 (18)0.0305 (8)
H43A0.02161.18500.19320.037*
C44−0.1594 (3)1.4909 (3)0.08523 (16)0.0266 (7)
C45−0.1195 (4)1.5767 (3)0.04707 (18)0.0338 (8)
H45A−0.04431.59750.05180.041*
C46−0.1915 (5)1.6325 (4)0.0014 (2)0.0428 (10)
H46A−0.16361.6897−0.02440.051*
C47−0.3028 (5)1.6033 (4)−0.0056 (2)0.0534 (13)
H47A−0.35061.6404−0.03600.064*
C48−0.3434 (5)1.5187 (4)0.0328 (3)0.0533 (13)
H48A−0.41971.49960.02840.064*
C49−0.2732 (4)1.4616 (3)0.0778 (2)0.0391 (9)
H49A−0.30151.40390.10310.047*
C500.1902 (3)1.3444 (3)0.33046 (15)0.0244 (6)
C510.2992 (4)1.3906 (3)0.32320 (18)0.0342 (8)
H51A0.36431.36960.29410.041*
C520.3108 (4)1.4671 (3)0.35882 (19)0.0358 (8)
H52A0.38331.49760.35290.043*
C530.2168 (4)1.4990 (3)0.40307 (16)0.0291 (7)
C540.1066 (4)1.4555 (3)0.40865 (18)0.0353 (8)
H54A0.04071.47790.43710.042*
C550.0933 (3)1.3797 (3)0.37274 (17)0.0316 (8)
H55A0.01881.35230.37710.038*
C560.2369 (4)1.5752 (3)0.44435 (17)0.0329 (8)
C570.3567 (5)1.5793 (4)0.4567 (2)0.0455 (10)
H57A0.42461.53390.43950.055*
C580.3779 (6)1.6496 (4)0.4943 (2)0.0534 (12)
H58A0.45901.65270.50160.064*
C590.2764 (6)1.7149 (4)0.5207 (2)0.0539 (13)
H59A0.28901.76130.54680.065*
C600.1583 (5)1.7119 (4)0.5088 (2)0.0499 (12)
H60A0.09071.75680.52660.060*
C610.1370 (5)1.6429 (4)0.47056 (19)0.0427 (10)
H61A0.05571.64210.46250.051*
C620.5804 (3)0.9277 (3)0.29955 (16)0.0286 (7)
C630.3458 (3)0.8713 (3)0.32332 (16)0.0284 (7)
C640.3000 (3)0.9552 (3)0.20652 (17)0.0286 (7)
C650.4889 (3)0.9957 (3)0.11083 (16)0.0258 (7)
C660.6345 (3)1.1527 (3)0.09834 (17)0.0285 (7)
C670.6740 (3)1.1038 (3)0.21704 (17)0.0275 (7)
C680.4604 (3)1.1420 (3)0.30290 (17)0.0309 (8)
C690.4351 (4)1.2911 (3)0.19623 (17)0.0307 (7)
C700.3104 (3)1.1650 (3)0.15364 (17)0.0273 (7)
U11U22U33U12U13U23
Ru10.01976 (12)0.01985 (12)0.02011 (13)−0.00340 (9)0.00132 (9)−0.00005 (9)
Ru20.01677 (12)0.01950 (12)0.02216 (13)−0.00391 (8)0.00082 (9)−0.00080 (9)
Ru30.01889 (12)0.01950 (12)0.02233 (13)−0.00209 (9)0.00005 (9)−0.00126 (9)
As10.02062 (16)0.01881 (15)0.02345 (17)−0.00429 (11)−0.00019 (12)−0.00001 (12)
As20.01733 (15)0.02129 (16)0.02243 (16)−0.00327 (11)0.00087 (11)−0.00194 (12)
As30.02003 (16)0.02089 (16)0.02465 (17)−0.00300 (11)−0.00142 (12)−0.00176 (13)
O10.0354 (15)0.0456 (17)0.0347 (15)−0.0059 (12)−0.0110 (12)−0.0038 (13)
O20.0426 (17)0.0522 (19)0.0364 (16)−0.0097 (14)0.0092 (13)0.0106 (14)
O30.0291 (14)0.0372 (15)0.0431 (16)−0.0121 (11)−0.0083 (11)0.0078 (12)
O40.0311 (14)0.0424 (16)0.0343 (15)−0.0107 (11)−0.0059 (11)−0.0066 (12)
O50.056 (2)0.0318 (15)0.0450 (18)−0.0122 (13)0.0121 (14)0.0067 (13)
O60.0316 (15)0.0457 (17)0.0443 (17)−0.0117 (12)−0.0043 (12)−0.0152 (13)
O70.0318 (14)0.0539 (18)0.0347 (15)0.0011 (12)−0.0077 (11)−0.0166 (13)
O80.0529 (19)0.0315 (15)0.056 (2)−0.0196 (13)0.0132 (15)−0.0029 (14)
O90.0440 (16)0.0357 (15)0.0319 (15)0.0008 (12)−0.0127 (12)−0.0006 (12)
C10.0234 (16)0.0224 (16)0.0353 (19)−0.0054 (12)−0.0047 (13)−0.0030 (14)
C20.051 (3)0.073 (3)0.036 (2)−0.040 (2)0.0019 (19)−0.008 (2)
C30.054 (3)0.083 (4)0.045 (3)−0.034 (3)−0.010 (2)−0.016 (3)
C40.036 (2)0.044 (2)0.067 (3)−0.0111 (18)−0.019 (2)−0.015 (2)
C50.029 (2)0.048 (3)0.061 (3)−0.0174 (17)0.0042 (18)−0.011 (2)
C60.034 (2)0.045 (2)0.043 (2)−0.0143 (17)0.0057 (17)−0.0125 (19)
C70.0248 (16)0.0247 (16)0.0299 (18)−0.0036 (12)−0.0008 (13)0.0049 (14)
C80.042 (2)0.0248 (18)0.036 (2)0.0019 (15)0.0050 (16)−0.0003 (15)
C90.059 (3)0.028 (2)0.053 (3)0.0093 (19)0.000 (2)0.0007 (19)
C100.049 (3)0.043 (2)0.044 (3)0.012 (2)−0.001 (2)0.014 (2)
C110.046 (2)0.050 (3)0.031 (2)−0.0034 (19)−0.0022 (17)0.0101 (18)
C120.0329 (19)0.037 (2)0.0297 (19)−0.0032 (15)0.0015 (14)0.0031 (16)
C130.0237 (15)0.0227 (15)0.0247 (16)−0.0045 (12)0.0011 (12)−0.0055 (12)
C140.0225 (15)0.0242 (16)0.0246 (16)−0.0068 (12)0.0052 (12)−0.0046 (13)
C150.0316 (19)0.0348 (19)0.0291 (18)−0.0110 (14)−0.0010 (14)−0.0073 (15)
C160.047 (2)0.043 (2)0.0264 (19)−0.0182 (18)−0.0014 (16)−0.0081 (16)
C170.047 (2)0.038 (2)0.0292 (19)−0.0172 (17)0.0161 (16)−0.0128 (16)
C180.034 (2)0.040 (2)0.041 (2)−0.0014 (16)0.0132 (16)−0.0107 (18)
C190.0274 (18)0.0303 (18)0.035 (2)−0.0027 (14)0.0055 (14)−0.0030 (15)
C200.0176 (14)0.0336 (18)0.0244 (16)−0.0009 (12)0.0013 (11)−0.0067 (14)
C210.0259 (17)0.0339 (19)0.0300 (18)0.0008 (14)−0.0012 (13)−0.0032 (15)
C220.036 (2)0.045 (2)0.037 (2)0.0000 (17)−0.0081 (16)0.0065 (18)
C230.030 (2)0.066 (3)0.029 (2)−0.0014 (19)−0.0037 (15)0.0001 (19)
C240.0249 (18)0.055 (3)0.035 (2)−0.0089 (16)−0.0029 (14)−0.0129 (18)
C250.0239 (17)0.0360 (19)0.0316 (19)−0.0060 (14)0.0009 (13)−0.0048 (15)
C260.0244 (16)0.0269 (16)0.0224 (16)−0.0039 (12)−0.0006 (12)−0.0026 (13)
C270.0279 (17)0.0279 (18)0.0337 (19)−0.0065 (13)−0.0060 (14)0.0009 (15)
C280.0247 (17)0.039 (2)0.0311 (19)−0.0076 (14)−0.0018 (13)−0.0036 (15)
C290.0325 (19)0.0311 (18)0.0262 (17)−0.0096 (14)0.0020 (13)−0.0037 (14)
C300.035 (2)0.034 (2)0.0286 (19)−0.0043 (15)−0.0041 (14)0.0035 (15)
C310.0243 (17)0.0347 (19)0.0316 (19)−0.0034 (14)−0.0050 (13)0.0007 (15)
C320.0318 (19)0.039 (2)0.0253 (18)−0.0092 (15)−0.0009 (14)0.0003 (15)
C330.046 (3)0.047 (3)0.069 (3)−0.009 (2)0.012 (2)0.000 (2)
C340.039 (3)0.073 (4)0.063 (3)−0.012 (2)0.012 (2)0.005 (3)
C350.057 (3)0.050 (3)0.045 (3)−0.027 (2)−0.004 (2)0.010 (2)
C360.074 (4)0.047 (3)0.058 (3)−0.017 (3)0.012 (3)0.010 (2)
C370.065 (3)0.046 (3)0.041 (3)−0.015 (2)0.011 (2)0.004 (2)
C380.0220 (15)0.0214 (15)0.0241 (16)−0.0032 (11)−0.0004 (11)−0.0005 (12)
C390.0366 (19)0.0242 (17)0.0325 (19)−0.0063 (14)−0.0086 (15)−0.0044 (14)
C400.0355 (19)0.0180 (15)0.040 (2)−0.0062 (13)−0.0075 (15)−0.0015 (14)
C410.0229 (15)0.0229 (16)0.0249 (16)−0.0037 (12)−0.0014 (12)−0.0007 (12)
C420.0310 (18)0.0234 (16)0.0343 (19)−0.0046 (13)−0.0088 (14)−0.0053 (14)
C430.037 (2)0.0173 (15)0.038 (2)−0.0025 (13)−0.0107 (15)−0.0026 (14)
C440.0270 (17)0.0237 (16)0.0278 (17)−0.0009 (12)−0.0038 (13)−0.0031 (13)
C450.037 (2)0.0290 (18)0.034 (2)−0.0054 (15)−0.0045 (15)0.0003 (15)
C460.055 (3)0.034 (2)0.036 (2)−0.0017 (18)−0.0108 (19)0.0039 (17)
C470.065 (3)0.050 (3)0.046 (3)0.000 (2)−0.032 (2)0.002 (2)
C480.049 (3)0.053 (3)0.065 (3)−0.013 (2)−0.030 (2)0.000 (2)
C490.035 (2)0.034 (2)0.050 (2)−0.0079 (16)−0.0153 (18)0.0019 (18)
C500.0238 (16)0.0253 (16)0.0232 (16)−0.0030 (12)−0.0002 (12)−0.0035 (13)
C510.0293 (19)0.039 (2)0.037 (2)−0.0099 (15)0.0053 (15)−0.0140 (17)
C520.0297 (19)0.039 (2)0.040 (2)−0.0118 (15)0.0053 (15)−0.0105 (17)
C530.0354 (19)0.0286 (18)0.0226 (16)−0.0073 (14)−0.0006 (13)−0.0007 (14)
C540.033 (2)0.042 (2)0.0310 (19)−0.0096 (16)0.0054 (15)−0.0104 (16)
C550.0253 (17)0.039 (2)0.0309 (19)−0.0102 (14)0.0048 (13)−0.0065 (15)
C560.044 (2)0.0308 (19)0.0248 (18)−0.0128 (15)0.0035 (15)−0.0036 (14)
C570.058 (3)0.048 (3)0.034 (2)−0.010 (2)−0.0101 (19)−0.0077 (19)
C580.076 (4)0.053 (3)0.037 (2)−0.015 (3)−0.017 (2)−0.010 (2)
C590.089 (4)0.047 (3)0.033 (2)−0.029 (3)−0.002 (2)−0.011 (2)
C600.076 (4)0.045 (3)0.029 (2)−0.017 (2)0.014 (2)−0.0104 (19)
C610.055 (3)0.040 (2)0.032 (2)−0.0124 (19)0.0085 (18)−0.0083 (18)
C620.0303 (18)0.0279 (17)0.0250 (17)−0.0008 (13)0.0005 (13)−0.0031 (14)
C630.0274 (17)0.0266 (17)0.0275 (17)−0.0016 (13)0.0008 (13)0.0018 (14)
C640.0293 (18)0.0234 (16)0.0296 (18)−0.0051 (13)0.0005 (13)0.0047 (13)
C650.0203 (15)0.0270 (17)0.0284 (17)−0.0029 (12)−0.0010 (12)−0.0013 (13)
C660.0246 (17)0.0257 (17)0.0334 (19)−0.0062 (13)0.0048 (13)−0.0021 (14)
C670.0220 (16)0.0275 (17)0.0329 (18)−0.0044 (12)0.0012 (13)−0.0069 (14)
C680.0223 (16)0.037 (2)0.0309 (19)0.0013 (14)0.0011 (13)−0.0070 (15)
C690.0291 (18)0.0300 (18)0.0323 (19)−0.0064 (14)0.0034 (14)−0.0060 (15)
C700.0294 (17)0.0198 (15)0.0304 (18)−0.0008 (12)−0.0033 (13)0.0002 (13)
Ru1—C631.891 (4)C22—H22A0.9300
Ru1—C641.928 (4)C23—C241.384 (7)
Ru1—C621.943 (4)C23—H23A0.9300
Ru1—As12.4335 (8)C24—C251.397 (5)
Ru1—Ru22.8590 (7)C24—H24A0.9300
Ru1—Ru32.8767 (10)C25—H25A0.9300
Ru2—C661.894 (4)C26—C311.376 (5)
Ru2—C671.927 (4)C26—C271.395 (5)
Ru2—C651.941 (4)C27—C281.396 (5)
Ru2—As22.4361 (8)C27—H27A0.9300
Ru2—Ru32.8153 (7)C28—C291.397 (5)
Ru3—C691.876 (4)C28—H28A0.9300
Ru3—C701.930 (4)C29—C301.388 (5)
Ru3—C681.942 (4)C29—C321.493 (5)
Ru3—As32.4641 (8)C30—C311.403 (5)
As1—C11.938 (4)C30—H30A0.9300
As1—C71.947 (3)C31—H31A0.9300
As1—C131.967 (3)C32—C371.353 (6)
As2—C201.938 (3)C32—C331.383 (6)
As2—C141.940 (3)C33—C341.397 (7)
As2—C131.954 (3)C33—H33A0.9300
As3—C381.943 (3)C34—C351.340 (8)
As3—C501.952 (4)C34—H34A0.9300
As3—C261.960 (3)C35—C361.350 (8)
O1—C621.143 (5)C35—H35A0.9300
O2—C631.154 (4)C36—C371.398 (7)
O3—C641.149 (5)C36—H36A0.9300
O4—C651.142 (4)C37—H37A0.9300
O5—C661.145 (4)C38—C391.393 (5)
O6—C671.149 (4)C38—C431.396 (5)
O7—C681.135 (5)C39—C401.384 (5)
O8—C691.146 (5)C39—H39A0.9300
O9—C701.145 (4)C40—C411.389 (5)
C1—C61.378 (5)C40—H40A0.9300
C1—C21.387 (6)C41—C421.399 (5)
C2—C31.399 (6)C41—C441.489 (5)
C2—H2A0.9300C42—C431.377 (5)
C3—C41.366 (7)C42—H42A0.9300
C3—H3A0.9300C43—H43A0.9300
C4—C51.364 (7)C44—C451.381 (5)
C4—H4A0.9300C44—C491.396 (5)
C5—C61.398 (6)C45—C461.398 (6)
C5—H5A0.9300C45—H45A0.9300
C6—H6A0.9300C46—C471.367 (7)
C7—C121.393 (6)C46—H46A0.9300
C7—C81.399 (5)C47—C481.375 (7)
C8—C91.395 (6)C47—H47A0.9300
C8—H8A0.9300C48—C491.381 (6)
C9—C101.370 (7)C48—H48A0.9300
C9—H9A0.9300C49—H49A0.9300
C10—C111.385 (7)C50—C551.383 (5)
C10—H10A0.9300C50—C511.401 (5)
C11—C121.394 (6)C51—C521.381 (6)
C11—H11A0.9300C51—H51A0.9300
C12—H12A0.9300C52—C531.381 (5)
C13—H13A0.9700C52—H52A0.9300
C13—H13B0.9700C53—C541.398 (5)
C14—C191.387 (5)C53—C561.500 (5)
C14—C151.392 (5)C54—C551.385 (6)
C15—C161.386 (5)C54—H54A0.9300
C15—H15A0.9300C55—H55A0.9300
C16—C171.374 (6)C56—C571.383 (6)
C16—H16A0.9300C56—C611.383 (6)
C17—C181.391 (6)C57—C581.386 (7)
C17—H17A0.9300C57—H57A0.9300
C18—C191.388 (5)C58—C591.379 (8)
C18—H18A0.9300C58—H58A0.9300
C19—H19A0.9300C59—C601.358 (8)
C20—C211.386 (5)C59—H59A0.9300
C20—C251.397 (5)C60—C611.386 (7)
C21—C221.395 (5)C60—H60A0.9300
C21—H21A0.9300C61—H61A0.9300
C22—C231.378 (7)
C63—Ru1—C6492.14 (15)C23—C22—H22A120.1
C63—Ru1—C6291.57 (16)C21—C22—H22A120.1
C64—Ru1—C62170.39 (15)C22—C23—C24120.5 (4)
C63—Ru1—As197.75 (11)C22—C23—H23A119.7
C64—Ru1—As191.93 (11)C24—C23—H23A119.7
C62—Ru1—As196.35 (11)C23—C24—C25119.4 (4)
C63—Ru1—Ru2168.63 (12)C23—C24—H24A120.3
C64—Ru1—Ru292.96 (10)C25—C24—H24A120.3
C62—Ru1—Ru281.88 (11)C20—C25—C24120.8 (4)
C63—Ru1—Ru3112.97 (11)C20—C25—H25A119.6
C64—Ru1—Ru375.28 (11)C24—C25—H25A119.6
C62—Ru1—Ru395.11 (11)C31—C26—C27119.5 (3)
As1—Ru1—Ru3146.81 (2)C31—C26—As3119.2 (3)
Ru2—Ru1—Ru358.791 (16)C27—C26—As3121.3 (3)
C66—Ru2—C6790.62 (16)C26—C27—C28120.0 (3)
C66—Ru2—C6590.87 (16)C26—C27—H27A120.0
C67—Ru2—C65174.96 (14)C28—C27—H27A120.0
C66—Ru2—As2105.56 (11)C27—C28—C29121.1 (3)
C67—Ru2—As294.76 (11)C27—C28—H28A119.5
C65—Ru2—As289.47 (10)C29—C28—H28A119.5
C66—Ru2—Ru3103.67 (11)C30—C29—C28117.9 (3)
C67—Ru2—Ru379.84 (11)C30—C29—C32121.7 (3)
C65—Ru2—Ru395.13 (10)C28—C29—C32120.3 (3)
As2—Ru2—Ru3150.318 (16)C29—C30—C31121.3 (3)
C66—Ru2—Ru1161.39 (11)C29—C30—H30A119.4
C67—Ru2—Ru196.28 (11)C31—C30—H30A119.4
C65—Ru2—Ru180.88 (10)C26—C31—C30120.2 (3)
Ru3—Ru2—Ru160.92 (2)C26—C31—H31A119.9
C69—Ru3—C7087.66 (16)C30—C31—H31A119.9
C69—Ru3—C6895.64 (17)C37—C32—C33117.3 (4)
C70—Ru3—C68175.00 (15)C37—C32—C29120.9 (4)
C69—Ru3—As398.12 (12)C33—C32—C29121.7 (4)
C70—Ru3—As392.47 (11)C32—C33—C34120.3 (5)
C68—Ru3—As390.78 (11)C32—C33—H33A119.8
C69—Ru3—Ru290.05 (12)C34—C33—H33A119.8
C70—Ru3—Ru280.53 (11)C35—C34—C33121.9 (5)
C68—Ru3—Ru295.68 (11)C35—C34—H34A119.0
As3—Ru3—Ru2169.049 (15)C33—C34—H34A119.0
C69—Ru3—Ru1148.56 (12)C34—C35—C36117.7 (5)
C70—Ru3—Ru196.67 (10)C34—C35—H35A121.2
C68—Ru3—Ru178.56 (12)C36—C35—H35A121.2
As3—Ru3—Ru1112.715 (16)C35—C36—C37121.8 (5)
Ru2—Ru3—Ru160.291 (14)C35—C36—H36A119.1
C1—As1—C799.53 (15)C37—C36—H36A119.1
C1—As1—C13101.37 (15)C32—C37—C36120.9 (5)
C7—As1—C13100.45 (15)C32—C37—H37A119.5
C1—As1—Ru1115.25 (11)C36—C37—H37A119.5
C7—As1—Ru1121.01 (12)C39—C38—C43119.0 (3)
C13—As1—Ru1116.05 (10)C39—C38—As3120.6 (3)
C20—As2—C14104.05 (15)C43—C38—As3120.3 (2)
C20—As2—C13103.72 (15)C40—C39—C38120.0 (3)
C14—As2—C1399.28 (14)C40—C39—H39A120.0
C20—As2—Ru2119.35 (10)C38—C39—H39A120.0
C14—As2—Ru2118.20 (10)C39—C40—C41121.5 (3)
C13—As2—Ru2109.56 (10)C39—C40—H40A119.3
C38—As3—C50101.80 (14)C41—C40—H40A119.3
C38—As3—C26100.91 (14)C40—C41—C42118.0 (3)
C50—As3—C26101.33 (15)C40—C41—C44121.0 (3)
C38—As3—Ru3111.64 (10)C42—C41—C44121.0 (3)
C50—As3—Ru3113.29 (10)C43—C42—C41121.0 (3)
C26—As3—Ru3124.89 (10)C43—C42—H42A119.5
C6—C1—C2119.0 (4)C41—C42—H42A119.5
C6—C1—As1117.3 (3)C42—C43—C38120.5 (3)
C2—C1—As1123.7 (3)C42—C43—H43A119.8
C1—C2—C3119.7 (4)C38—C43—H43A119.8
C1—C2—H2A120.2C45—C44—C49119.0 (3)
C3—C2—H2A120.2C45—C44—C41121.1 (3)
C4—C3—C2121.0 (5)C49—C44—C41119.9 (3)
C4—C3—H3A119.5C44—C45—C46120.3 (4)
C2—C3—H3A119.5C44—C45—H45A119.8
C5—C4—C3119.3 (4)C46—C45—H45A119.8
C5—C4—H4A120.4C47—C46—C45120.3 (4)
C3—C4—H4A120.4C47—C46—H46A119.8
C4—C5—C6120.7 (4)C45—C46—H46A119.8
C4—C5—H5A119.6C46—C47—C48119.5 (4)
C6—C5—H5A119.6C46—C47—H47A120.3
C1—C6—C5120.2 (4)C48—C47—H47A120.3
C1—C6—H6A119.9C47—C48—C49121.3 (4)
C5—C6—H6A119.9C47—C48—H48A119.4
C12—C7—C8120.3 (3)C49—C48—H48A119.4
C12—C7—As1121.0 (3)C48—C49—C44119.6 (4)
C8—C7—As1118.6 (3)C48—C49—H49A120.2
C9—C8—C7119.2 (4)C44—C49—H49A120.2
C9—C8—H8A120.4C55—C50—C51118.4 (3)
C7—C8—H8A120.4C55—C50—As3122.0 (3)
C10—C9—C8120.3 (4)C51—C50—As3119.6 (3)
C10—C9—H9A119.9C52—C51—C50120.7 (4)
C8—C9—H9A119.9C52—C51—H51A119.7
C9—C10—C11120.9 (4)C50—C51—H51A119.7
C9—C10—H10A119.5C53—C52—C51121.3 (4)
C11—C10—H10A119.5C53—C52—H52A119.3
C10—C11—C12119.8 (4)C51—C52—H52A119.3
C10—C11—H11A120.1C52—C53—C54117.8 (4)
C12—C11—H11A120.1C52—C53—C56119.9 (4)
C7—C12—C11119.5 (4)C54—C53—C56122.3 (3)
C7—C12—H12A120.2C55—C54—C53121.4 (4)
C11—C12—H12A120.2C55—C54—H54A119.3
As2—C13—As1110.23 (16)C53—C54—H54A119.3
As2—C13—H13A109.6C50—C55—C54120.4 (4)
As1—C13—H13A109.6C50—C55—H55A119.8
As2—C13—H13B109.6C54—C55—H55A119.8
As1—C13—H13B109.6C57—C56—C61118.6 (4)
H13A—C13—H13B108.1C57—C56—C53120.2 (4)
C19—C14—C15119.9 (3)C61—C56—C53121.1 (4)
C19—C14—As2122.0 (3)C56—C57—C58121.4 (5)
C15—C14—As2118.2 (3)C56—C57—H57A119.3
C16—C15—C14120.0 (4)C58—C57—H57A119.3
C16—C15—H15A120.0C59—C58—C57118.9 (5)
C14—C15—H15A120.0C59—C58—H58A120.6
C17—C16—C15120.4 (4)C57—C58—H58A120.6
C17—C16—H16A119.8C60—C59—C58120.4 (5)
C15—C16—H16A119.8C60—C59—H59A119.8
C16—C17—C18119.8 (4)C58—C59—H59A119.8
C16—C17—H17A120.1C59—C60—C61120.9 (5)
C18—C17—H17A120.1C59—C60—H60A119.6
C19—C18—C17120.3 (4)C61—C60—H60A119.6
C19—C18—H18A119.9C56—C61—C60119.9 (5)
C17—C18—H18A119.9C56—C61—H61A120.1
C14—C19—C18119.7 (4)C60—C61—H61A120.1
C14—C19—H19A120.2O1—C62—Ru1175.5 (3)
C18—C19—H19A120.2O2—C63—Ru1176.6 (3)
C21—C20—C25118.4 (3)O3—C64—Ru1172.8 (3)
C21—C20—As2122.8 (3)O4—C65—Ru2173.4 (3)
C25—C20—As2118.8 (3)O5—C66—Ru2177.0 (4)
C20—C21—C22121.1 (4)O6—C67—Ru2174.0 (3)
C20—C21—H21A119.5O7—C68—Ru3172.5 (4)
C22—C21—H21A119.5O8—C69—Ru3175.6 (3)
C23—C22—C21119.7 (4)O9—C70—Ru3173.3 (3)
C63—Ru1—Ru2—C66−82.2 (7)C13—As1—C7—C12116.4 (3)
C64—Ru1—Ru2—C6634.3 (4)Ru1—As1—C7—C12−12.8 (4)
C62—Ru1—Ru2—C66−137.5 (4)C1—As1—C7—C843.9 (3)
As1—Ru1—Ru2—C66126.4 (4)C13—As1—C7—C8−59.6 (3)
Ru3—Ru1—Ru2—C66−36.5 (4)Ru1—As1—C7—C8171.2 (3)
C63—Ru1—Ru2—C6728.9 (6)C12—C7—C8—C9−0.9 (6)
C64—Ru1—Ru2—C67145.48 (15)As1—C7—C8—C9175.2 (3)
C62—Ru1—Ru2—C67−26.37 (15)C7—C8—C9—C10−1.0 (7)
As1—Ru1—Ru2—C67−122.47 (11)C8—C9—C10—C112.2 (8)
Ru3—Ru1—Ru2—C6774.67 (11)C9—C10—C11—C12−1.5 (7)
C63—Ru1—Ru2—C65−146.9 (6)C8—C7—C12—C111.6 (6)
C64—Ru1—Ru2—C65−30.32 (15)As1—C7—C12—C11−174.4 (3)
C62—Ru1—Ru2—C65157.83 (15)C10—C11—C12—C7−0.4 (6)
As1—Ru1—Ru2—C6561.74 (10)C20—As2—C13—As183.00 (18)
Ru3—Ru1—Ru2—C65−101.12 (10)C14—As2—C13—As1−169.96 (17)
C63—Ru1—Ru2—As2123.8 (5)Ru2—As2—C13—As1−45.47 (17)
C64—Ru1—Ru2—As2−119.61 (11)C1—As1—C13—As2145.49 (17)
C62—Ru1—Ru2—As268.54 (11)C7—As1—C13—As2−112.46 (18)
As1—Ru1—Ru2—As2−27.553 (17)Ru1—As1—C13—As219.86 (19)
Ru3—Ru1—Ru2—As2169.586 (14)C20—As2—C14—C1913.3 (3)
C63—Ru1—Ru2—Ru3−45.7 (5)C13—As2—C14—C19−93.5 (3)
C64—Ru1—Ru2—Ru370.81 (11)Ru2—As2—C14—C19148.3 (3)
C62—Ru1—Ru2—Ru3−101.05 (11)C20—As2—C14—C15−167.8 (3)
As1—Ru1—Ru2—Ru3162.861 (15)C13—As2—C14—C1585.4 (3)
C66—Ru2—Ru3—C69−22.23 (17)Ru2—As2—C14—C15−32.8 (3)
C67—Ru2—Ru3—C6965.92 (17)C19—C14—C15—C160.0 (6)
C65—Ru2—Ru3—C69−114.38 (16)As2—C14—C15—C16−178.9 (3)
As2—Ru2—Ru3—C69147.63 (12)C14—C15—C16—C17−0.9 (6)
Ru1—Ru2—Ru3—C69169.04 (12)C15—C16—C17—C181.9 (6)
C66—Ru2—Ru3—C7065.40 (16)C16—C17—C18—C19−2.0 (6)
C67—Ru2—Ru3—C70153.55 (15)C15—C14—C19—C18−0.1 (6)
C65—Ru2—Ru3—C70−26.76 (15)As2—C14—C19—C18178.8 (3)
As2—Ru2—Ru3—C70−124.75 (11)C17—C18—C19—C141.0 (6)
Ru1—Ru2—Ru3—C70−103.34 (11)C14—As2—C20—C21−103.8 (3)
C66—Ru2—Ru3—C68−117.90 (17)C13—As2—C20—C21−0.4 (3)
C67—Ru2—Ru3—C68−29.74 (17)Ru2—As2—C20—C21121.8 (3)
C65—Ru2—Ru3—C68149.95 (16)C14—As2—C20—C2578.6 (3)
As2—Ru2—Ru3—C6851.96 (13)C13—As2—C20—C25−178.0 (3)
Ru1—Ru2—Ru3—C6873.37 (12)Ru2—As2—C20—C25−55.8 (3)
C66—Ru2—Ru3—As3116.23 (14)C25—C20—C21—C220.7 (5)
C67—Ru2—Ru3—As3−155.62 (13)As2—C20—C21—C22−177.0 (3)
C65—Ru2—Ru3—As324.07 (13)C20—C21—C22—C23−0.8 (6)
As2—Ru2—Ru3—As3−73.92 (9)C21—C22—C23—C240.6 (7)
Ru1—Ru2—Ru3—As3−52.51 (8)C22—C23—C24—C25−0.4 (6)
C66—Ru2—Ru3—Ru1168.74 (12)C21—C20—C25—C24−0.5 (5)
C67—Ru2—Ru3—Ru1−103.11 (11)As2—C20—C25—C24177.3 (3)
C65—Ru2—Ru3—Ru176.59 (10)C23—C24—C25—C200.4 (6)
As2—Ru2—Ru3—Ru1−21.40 (3)C38—As3—C26—C31170.3 (3)
C63—Ru1—Ru3—C69149.8 (3)C50—As3—C26—C31−85.2 (3)
C64—Ru1—Ru3—C69−124.2 (3)Ru3—As3—C26—C3143.9 (3)
C62—Ru1—Ru3—C6955.9 (3)C38—As3—C26—C27−9.7 (3)
As1—Ru1—Ru3—C69−53.9 (2)C50—As3—C26—C2794.8 (3)
Ru2—Ru1—Ru3—C69−21.4 (2)Ru3—As3—C26—C27−136.0 (3)
C63—Ru1—Ru3—C70−113.74 (17)C31—C26—C27—C28−1.0 (6)
C64—Ru1—Ru3—C70−27.72 (16)As3—C26—C27—C28178.9 (3)
C62—Ru1—Ru3—C70152.38 (16)C26—C27—C28—C29−0.5 (6)
As1—Ru1—Ru3—C7042.54 (11)C27—C28—C29—C301.4 (6)
Ru2—Ru1—Ru3—C7075.09 (11)C27—C28—C29—C32−176.4 (4)
C63—Ru1—Ru3—C6867.78 (17)C28—C29—C30—C31−0.8 (6)
C64—Ru1—Ru3—C68153.80 (16)C32—C29—C30—C31176.9 (4)
C62—Ru1—Ru3—C68−26.10 (15)C27—C26—C31—C301.6 (6)
As1—Ru1—Ru3—C68−135.94 (11)As3—C26—C31—C30−178.4 (3)
Ru2—Ru1—Ru3—C68−103.39 (11)C29—C30—C31—C26−0.7 (6)
C63—Ru1—Ru3—As3−18.23 (13)C30—C29—C32—C37−48.6 (6)
C64—Ru1—Ru3—As367.79 (12)C28—C29—C32—C37129.0 (5)
C62—Ru1—Ru3—As3−112.12 (11)C30—C29—C32—C33131.8 (5)
As1—Ru1—Ru3—As3138.05 (3)C28—C29—C32—C33−50.6 (6)
Ru2—Ru1—Ru3—As3170.595 (16)C37—C32—C33—C341.9 (8)
C63—Ru1—Ru3—Ru2171.18 (13)C29—C32—C33—C34−178.5 (5)
C64—Ru1—Ru3—Ru2−102.80 (12)C32—C33—C34—C35−2.0 (9)
C62—Ru1—Ru3—Ru277.29 (11)C33—C34—C35—C36−0.4 (9)
As1—Ru1—Ru3—Ru2−32.54 (3)C34—C35—C36—C372.9 (9)
C63—Ru1—As1—C176.64 (17)C33—C32—C37—C360.5 (8)
C64—Ru1—As1—C1−15.78 (16)C29—C32—C37—C36−179.1 (5)
C62—Ru1—As1—C1169.10 (16)C35—C36—C37—C32−3.0 (9)
Ru2—Ru1—As1—C1−108.83 (12)C50—As3—C38—C3918.2 (3)
Ru3—Ru1—As1—C1−81.41 (12)C26—As3—C38—C39122.4 (3)
C63—Ru1—As1—C7−43.16 (17)Ru3—As3—C38—C39−102.9 (3)
C64—Ru1—As1—C7−135.58 (16)C50—As3—C38—C43−166.0 (3)
C62—Ru1—As1—C749.31 (16)C26—As3—C38—C43−61.8 (3)
Ru2—Ru1—As1—C7131.38 (12)Ru3—As3—C38—C4372.9 (3)
Ru3—Ru1—As1—C7158.79 (12)C43—C38—C39—C40−2.3 (6)
C63—Ru1—As1—C13−165.12 (16)As3—C38—C39—C40173.6 (3)
C64—Ru1—As1—C13102.45 (15)C38—C39—C40—C411.7 (6)
C62—Ru1—As1—C13−72.66 (16)C39—C40—C41—C420.8 (6)
Ru2—Ru1—As1—C139.41 (11)C39—C40—C41—C44−179.7 (4)
Ru3—Ru1—As1—C1336.82 (12)C40—C41—C42—C43−2.6 (6)
C66—Ru2—As2—C20114.01 (17)C44—C41—C42—C43177.9 (4)
C67—Ru2—As2—C2022.03 (16)C41—C42—C43—C382.0 (6)
C65—Ru2—As2—C20−155.24 (16)C39—C38—C43—C420.5 (6)
Ru3—Ru2—As2—C20−55.76 (13)As3—C38—C43—C42−175.4 (3)
Ru1—Ru2—As2—C20−74.37 (12)C40—C41—C44—C4544.1 (5)
C66—Ru2—As2—C14−14.13 (17)C42—C41—C44—C45−136.4 (4)
C67—Ru2—As2—C14−106.11 (16)C40—C41—C44—C49−136.0 (4)
C65—Ru2—As2—C1476.63 (16)C42—C41—C44—C4943.5 (5)
Ru3—Ru2—As2—C14176.10 (12)C49—C44—C45—C46−0.7 (6)
Ru1—Ru2—As2—C14157.50 (12)C41—C44—C45—C46179.2 (4)
C66—Ru2—As2—C13−126.76 (16)C44—C45—C46—C470.7 (7)
C67—Ru2—As2—C13141.27 (15)C45—C46—C47—C480.1 (8)
C65—Ru2—As2—C13−36.00 (15)C46—C47—C48—C49−0.9 (9)
Ru3—Ru2—As2—C1363.47 (11)C47—C48—C49—C440.9 (8)
Ru1—Ru2—As2—C1344.87 (11)C45—C44—C49—C48−0.1 (7)
C69—Ru3—As3—C3865.34 (16)C41—C44—C49—C48180.0 (4)
C70—Ru3—As3—C38−22.65 (15)C38—As3—C50—C5573.7 (3)
C68—Ru3—As3—C38161.15 (16)C26—As3—C50—C55−30.1 (3)
Ru2—Ru3—As3—C38−72.59 (13)Ru3—As3—C50—C55−166.3 (3)
Ru1—Ru3—As3—C38−120.94 (11)C38—As3—C50—C51−105.5 (3)
C69—Ru3—As3—C50−48.88 (16)C26—As3—C50—C51150.7 (3)
C70—Ru3—As3—C50−136.87 (15)Ru3—As3—C50—C5114.5 (3)
C68—Ru3—As3—C5046.93 (16)C55—C50—C51—C522.0 (6)
Ru2—Ru3—As3—C50173.19 (13)As3—C50—C51—C52−178.7 (3)
Ru1—Ru3—As3—C50124.84 (11)C50—C51—C52—C531.0 (6)
C69—Ru3—As3—C26−173.00 (17)C51—C52—C53—C54−3.2 (6)
C70—Ru3—As3—C2699.01 (16)C51—C52—C53—C56174.9 (4)
C68—Ru3—As3—C26−77.19 (17)C52—C53—C54—C552.5 (6)
Ru2—Ru3—As3—C2649.07 (15)C56—C53—C54—C55−175.6 (4)
Ru1—Ru3—As3—C260.73 (13)C51—C50—C55—C54−2.7 (6)
C7—As1—C1—C674.2 (3)As3—C50—C55—C54178.1 (3)
C13—As1—C1—C6177.0 (3)C53—C54—C55—C500.5 (6)
Ru1—As1—C1—C6−56.8 (3)C52—C53—C56—C57−27.0 (6)
C7—As1—C1—C2−107.8 (4)C54—C53—C56—C57151.1 (4)
C13—As1—C1—C2−5.0 (4)C52—C53—C56—C61152.8 (4)
Ru1—As1—C1—C2121.2 (4)C54—C53—C56—C61−29.2 (6)
C6—C1—C2—C3−3.2 (7)C61—C56—C57—C58−0.3 (7)
As1—C1—C2—C3178.8 (4)C53—C56—C57—C58179.4 (4)
C1—C2—C3—C40.1 (9)C56—C57—C58—C591.4 (7)
C2—C3—C4—C53.2 (9)C57—C58—C59—C60−1.5 (8)
C3—C4—C5—C6−3.3 (8)C58—C59—C60—C610.6 (7)
C2—C1—C6—C53.0 (7)C57—C56—C61—C60−0.7 (6)
As1—C1—C6—C5−178.8 (3)C53—C56—C61—C60179.6 (4)
C4—C5—C6—C10.2 (7)C59—C60—C61—C560.6 (7)
C1—As1—C7—C12−140.1 (3)
Cg1 is the centroid of the C26–C31 benzene ring.
D—H···AD—HH···AD···AD—H···A
C46—H46A···O9i0.932.563.251 (6)131
C24—H24A···Cg1ii0.932.953.625 (5)130
Table 1

Hydrogen-bond geometry (Å, °)

Cg1 is the centroid of the C26–C31 benzene ring.

D—H⋯AD—HH⋯ADAD—H⋯A
C46—H46A⋯O9i0.932.563.251 (6)131
C24—H24ACg1ii0.932.953.625 (5)130

Symmetry codes: (i) ; (ii) .

  4 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-[triphenyl-stibine-3κSb]-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:  2009-12-24

3.  Tris(biphenyl-4-yl)arsane.

Authors:  Omar Bin Shawkataly; Imthyaz Ahmed Khan; Siti Syaida Sirat; Chin Sing Yeap; Hoong-Kun Fun
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-01-22

4.  Structure validation in chemical crystallography.

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

1.  [μ-Bis(diphenyl-phosphan-yl)methane-1:2κP:P']nona-carbonyl-1κC,2κC,3κC-[tris-(biphenyl-4-yl)arsane-3κAs]-triangulo-triruthenium(0).

Authors:  Omar Bin Shawkataly; Imthyaz Ahmed Khan; Siti Syaida Sirat; Chin Sing Yeap; Hoong-Kun Fun
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-01-15
  1 in total

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