Literature DB >> 21579685

[μ-Bis(diphenyl-arsino)methane-1:2κAs:As']nona-carbonyl-1κC,2κC,3κC-[diphen-yl(phenyl-sulfanylmeth-yl)phosphine-3κP]-triangulo-triruthenium(0) chloro-form hemisolvate.

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

Abstract

The asymmetric unit of the title triangulo-triruthenium cluster, [Ru(3)(C(25)H(22)As(2))(C(19)H(17)PS)(CO)(9)]·0.5CHCl(3), contains of one mol-ecule of the triangulo-triruthenium complex and half a mol-ecule of the disordered (two positions of equal weight) chloro-form solvent. The bis-(diphenyl-arsino)methane ligand bridges an Ru-Ru bond and the monodentate phosphine ligand bonds to the third Ru atom. Both the arsine and phosphine 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 benzene ring of phenyl-thio-methyl is disordered over two positions with refined site occupancies of 0.788 (11) and 0.212 (11). In the crystal packing, mol-ecules are linked into chains along b axis by inter-molecular C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π inter-actions further stabilize the crystal structure.

Entities:  

Year:  2010        PMID: 21579685      PMCID: PMC2979739          DOI: 10.1107/S1600536810001212

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 the synthesis of diphen­yl(phenyl­thio)methyl­phosphine, see: Sanger (1983 ▶). For the stability of the temperature controller used for the data collection, see: Cosier & Glazer (1986 ▶).

Experimental

Crystal data

[Ru3(C25H22As2)(C19H17PS)(CO)9]·0.5CHCl3 M = 1395.61 Monoclinic, a = 23.0129 (4) Å b = 11.6027 (2) Å c = 20.5019 (4) Å β = 92.876 (1)° V = 5467.35 (17) Å3 Z = 4 Mo Kα radiation μ = 2.21 mm−1 T = 100 K 0.51 × 0.16 × 0.04 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2005 ▶) T min = 0.399, T max = 0.923 70928 measured reflections 16008 independent reflections 11323 reflections with I > 2σ(I) R int = 0.065

Refinement

R[F 2 > 2σ(F 2)] = 0.059 wR(F 2) = 0.158 S = 1.03 16008 reflections 678 parameters 162 restraints H-atom parameters constrained Δρmax = 1.78 e Å−3 Δρmin = −3.30 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/S1600536810001212/tk2610sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536810001212/tk2610Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Ru3(C25H22As2)(C19H17PS)(CO)9]·0.5CHCl3F(000) = 2748
Mr = 1395.61Dx = 1.695 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 9929 reflections
a = 23.0129 (4) Åθ = 2.2–28.3°
b = 11.6027 (2) ŵ = 2.21 mm1
c = 20.5019 (4) ÅT = 100 K
β = 92.876 (1)°Plate, brown
V = 5467.35 (17) Å30.51 × 0.16 × 0.04 mm
Z = 4
Bruker SMART APEXII CCD area-detector diffractometer16008 independent reflections
Radiation source: fine-focus sealed tube11323 reflections with I > 2σ(I)
graphiteRint = 0.065
φ and ω scansθmax = 30.1°, θmin = 2.0°
Absorption correction: multi-scan (SADABS; Bruker, 2005)h = −32→31
Tmin = 0.399, Tmax = 0.923k = −16→16
70928 measured reflectionsl = −26→28
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) = 0.158H-atom parameters constrained
S = 1.03w = 1/[σ2(Fo2) + (0.0739P)2 + 20.3511P] where P = (Fo2 + 2Fc2)/3
16008 reflections(Δ/σ)max = 0.001
678 parametersΔρmax = 1.78 e Å3
162 restraintsΔρmin = −3.30 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)
Ru10.752259 (18)0.04613 (3)0.46155 (2)0.02268 (10)
Ru20.638973 (17)0.11916 (3)0.49541 (2)0.02088 (10)
Ru30.716761 (18)0.02270 (3)0.59312 (2)0.02310 (10)
As10.72787 (2)0.08678 (4)0.34618 (3)0.02365 (12)
As20.61767 (2)0.22498 (4)0.39438 (3)0.02128 (12)
P10.79472 (6)−0.08541 (11)0.63827 (7)0.0223 (3)
S10.92881 (7)−0.10436 (16)0.65861 (10)0.0492 (5)
O10.73103 (17)−0.2152 (3)0.46385 (19)0.0273 (8)
O20.8804 (2)−0.0041 (5)0.4513 (3)0.0661 (17)
O30.7739 (2)0.3063 (4)0.4722 (2)0.0426 (11)
O40.6689 (2)0.3441 (4)0.5684 (2)0.0457 (12)
O50.5215 (2)0.1306 (4)0.5558 (3)0.0456 (12)
O60.60819 (17)−0.1138 (3)0.4309 (2)0.0296 (9)
O70.63677 (18)−0.1879 (4)0.5702 (2)0.0348 (10)
O80.6529 (2)0.0746 (5)0.7156 (3)0.0559 (15)
O90.7890 (2)0.2424 (4)0.6171 (3)0.0548 (14)
C10.7947 (2)0.1213 (5)0.2947 (3)0.0298 (12)
C20.8323 (3)0.2062 (7)0.3161 (4)0.054 (2)
H2A0.82440.24900.35290.064*
C30.8826 (3)0.2289 (7)0.2828 (4)0.059 (2)
H3A0.90750.28770.29730.070*
C40.8955 (3)0.1660 (7)0.2296 (4)0.0465 (17)
H4A0.92920.18050.20780.056*
C50.8576 (3)0.0800 (7)0.2084 (3)0.0455 (17)
H5A0.86600.03630.17200.055*
C60.8074 (3)0.0579 (6)0.2403 (3)0.0356 (13)
H6A0.78210.00020.22520.043*
C70.6829 (2)−0.0168 (4)0.2886 (3)0.0246 (11)
C80.6530 (3)0.0243 (5)0.2326 (3)0.0324 (13)
H8A0.65440.10220.22210.039*
C90.6212 (3)−0.0516 (6)0.1925 (3)0.0410 (15)
H9A0.6022−0.02470.15440.049*
C100.6175 (3)−0.1666 (6)0.2088 (3)0.0356 (14)
H10A0.5947−0.21620.18270.043*
C110.6474 (3)−0.2079 (5)0.2636 (3)0.0353 (13)
H11A0.6457−0.28590.27390.042*
C120.6804 (3)−0.1332 (5)0.3035 (3)0.0290 (12)
H12A0.7009−0.16150.34030.035*
C130.6838 (2)0.2317 (4)0.3380 (3)0.0251 (11)
H13A0.70880.29610.35070.030*
H13B0.67000.24290.29290.030*
C140.5972 (2)0.3862 (4)0.4061 (3)0.0255 (11)
C150.5393 (2)0.4151 (5)0.4107 (3)0.0273 (11)
H15A0.51050.35960.40360.033*
C160.5243 (3)0.5280 (5)0.4262 (3)0.0306 (12)
H16A0.48540.54750.42960.037*
C170.5663 (3)0.6101 (5)0.4363 (3)0.0360 (14)
H17A0.55590.68500.44700.043*
C180.6231 (3)0.5827 (5)0.4310 (4)0.0505 (19)
H18A0.65150.63910.43720.061*
C190.6390 (3)0.4695 (5)0.4161 (4)0.0465 (18)
H19A0.67810.45080.41300.056*
C200.5559 (2)0.1743 (4)0.3329 (3)0.0223 (10)
C210.5464 (2)0.2288 (5)0.2732 (3)0.0281 (11)
H21A0.56840.29280.26300.034*
C220.5039 (3)0.1879 (5)0.2288 (3)0.0330 (13)
H22A0.49730.22520.18900.040*
C230.4717 (2)0.0927 (5)0.2432 (3)0.0303 (12)
H23A0.44430.06400.21250.036*
C240.4799 (3)0.0392 (5)0.3038 (3)0.0323 (13)
H24A0.4574−0.02410.31410.039*
C250.5218 (2)0.0806 (4)0.3486 (3)0.0258 (11)
H25A0.52720.04560.38920.031*
C260.8014 (2)−0.2287 (5)0.6040 (3)0.0276 (11)
C270.7589 (3)−0.3107 (5)0.6167 (3)0.0340 (13)
H27A0.7289−0.29230.64350.041*
C280.7618 (4)−0.4194 (6)0.5891 (4)0.051 (2)
H28A0.7334−0.47380.59750.062*
C290.8059 (5)−0.4477 (6)0.5497 (4)0.064 (3)
H29A0.8075−0.52110.53170.077*
C300.8473 (4)−0.3685 (6)0.5370 (4)0.053 (2)
H30A0.8774−0.38890.51060.064*
C310.8458 (3)−0.2566 (5)0.5629 (3)0.0373 (14)
H31A0.8737−0.20230.55290.045*
C320.7982 (2)−0.1102 (6)0.7268 (3)0.0352 (14)
C330.7886 (3)−0.0200 (7)0.7672 (3)0.0451 (17)
H33A0.77830.05110.74920.054*
C340.7940 (3)−0.0314 (9)0.8353 (4)0.062 (2)
H34A0.78790.03170.86200.075*
C350.8082 (4)−0.1367 (9)0.8621 (4)0.066 (3)
H35A0.8113−0.14550.90730.079*
C360.8178 (4)−0.2289 (8)0.8223 (4)0.061 (2)
H36A0.8271−0.30020.84080.074*
C370.8138 (3)−0.2173 (6)0.7544 (3)0.0407 (16)
H37A0.8214−0.27980.72770.049*
C380.8670 (2)−0.0170 (5)0.6294 (3)0.0339 (13)
H38A0.87130.00050.58370.041*
H38B0.86800.05530.65310.041*
C39A0.9630 (4)−0.0187 (8)0.7212 (6)0.049 (2)0.788 (11)
C40A1.0030 (4)0.0658 (9)0.7095 (7)0.061 (3)0.788 (11)
H40A1.01190.08290.66680.073*0.788 (11)
C41A1.0300 (6)0.1252 (11)0.7607 (9)0.070 (3)0.788 (11)
H41A1.05630.18330.75190.084*0.788 (11)
C42A1.0195 (5)0.1017 (10)0.8222 (8)0.070 (3)0.788 (11)
H42A1.03950.14070.85600.084*0.788 (11)
C43A0.9786 (5)0.0188 (10)0.8361 (6)0.070 (3)0.788 (11)
H43A0.97010.00320.87910.084*0.788 (11)
C44A0.9501 (5)−0.0410 (8)0.7846 (6)0.058 (3)0.788 (11)
H44A0.9223−0.09630.79340.069*0.788 (11)
C39B0.971 (3)−0.014 (6)0.690 (3)0.075 (8)*0.212 (11)
C40B1.0143 (19)0.029 (4)0.660 (2)0.066 (10)*0.212 (11)
H40B1.01860.00900.61710.079*0.212 (11)
C41B1.056 (2)0.106 (4)0.691 (3)0.075 (8)*0.212 (11)
H41B1.08740.12950.66760.090*0.212 (11)
C42B1.051 (3)0.140 (6)0.741 (3)0.077 (11)*0.212 (11)
H42B1.07190.20520.75390.092*0.212 (11)
C43B1.018 (3)0.092 (5)0.782 (3)0.069 (9)*0.212 (11)
H43B1.02250.10780.82650.083*0.212 (11)
C44B0.973 (2)0.013 (4)0.756 (3)0.065 (8)*0.212 (11)
H44B0.9467−0.01940.78330.078*0.212 (11)
C450.7361 (2)−0.1166 (5)0.4646 (3)0.0236 (10)
C460.8316 (3)0.0137 (5)0.4562 (3)0.0374 (14)
C470.7636 (3)0.2091 (5)0.4722 (3)0.0326 (13)
C480.6615 (3)0.2591 (5)0.5411 (3)0.0322 (13)
C490.5659 (2)0.1267 (4)0.5333 (3)0.0279 (12)
C500.6223 (2)−0.0288 (4)0.4552 (3)0.0250 (11)
C510.6668 (2)−0.1098 (5)0.5754 (2)0.0256 (11)
C520.6771 (3)0.0533 (6)0.6688 (3)0.0363 (14)
C530.7619 (3)0.1615 (5)0.6044 (3)0.0356 (14)
Cl1A0.9091 (4)0.2695 (8)0.5442 (4)0.0537 (13)*0.25
Cl2A1.0368 (4)0.2562 (8)0.5737 (5)0.066 (2)*0.25
Cl3A0.9950 (5)0.1735 (10)0.4648 (5)0.088 (3)*0.25
C54A0.9738 (6)0.190 (3)0.5415 (10)0.061 (8)*0.25
H54A0.96890.11420.56190.073*0.25
Cl1B0.9122 (4)0.2591 (8)0.5652 (4)0.0537 (13)*0.25
Cl2B1.0312 (7)0.2160 (18)0.5333 (11)0.161 (7)*0.25
Cl3B0.9727 (3)0.3836 (7)0.4626 (4)0.0537 (7)*0.25
C54B0.9609 (10)0.252 (3)0.5020 (16)0.15 (2)*0.25
H54B0.94740.19440.46990.176*0.25
U11U22U33U12U13U23
Ru10.0241 (2)0.01585 (18)0.0278 (2)−0.00002 (14)−0.00183 (16)−0.00130 (16)
Ru20.02351 (19)0.01277 (17)0.0260 (2)−0.00059 (14)−0.00255 (16)−0.00028 (15)
Ru30.0256 (2)0.01866 (19)0.0243 (2)−0.00049 (15)−0.00546 (16)−0.00374 (16)
As10.0248 (3)0.0184 (2)0.0277 (3)−0.00137 (19)0.0010 (2)0.0014 (2)
As20.0232 (2)0.0125 (2)0.0278 (3)−0.00199 (18)−0.0019 (2)0.0021 (2)
P10.0255 (6)0.0175 (6)0.0234 (7)−0.0031 (5)−0.0036 (5)−0.0004 (5)
S10.0326 (8)0.0445 (10)0.0689 (13)0.0019 (7)−0.0148 (8)0.0074 (9)
O10.037 (2)0.0171 (17)0.027 (2)0.0008 (15)−0.0026 (16)−0.0019 (15)
O20.034 (3)0.074 (4)0.091 (5)0.016 (3)0.018 (3)0.028 (3)
O30.048 (3)0.020 (2)0.059 (3)−0.0072 (18)−0.009 (2)−0.002 (2)
O40.054 (3)0.024 (2)0.057 (3)−0.0008 (19)−0.013 (2)−0.011 (2)
O50.038 (2)0.039 (3)0.061 (3)0.011 (2)0.021 (2)0.013 (2)
O60.033 (2)0.0163 (17)0.039 (2)−0.0027 (14)−0.0032 (17)−0.0027 (16)
O70.041 (2)0.033 (2)0.030 (2)−0.0149 (18)−0.0051 (18)0.0044 (18)
O80.038 (3)0.085 (4)0.045 (3)0.005 (3)−0.002 (2)−0.036 (3)
O90.065 (3)0.027 (2)0.069 (4)−0.014 (2)−0.033 (3)−0.002 (2)
C10.024 (3)0.029 (3)0.037 (3)0.000 (2)0.004 (2)0.004 (2)
C20.046 (4)0.051 (4)0.067 (5)−0.022 (3)0.025 (4)−0.023 (4)
C30.038 (4)0.061 (5)0.078 (6)−0.014 (3)0.014 (4)−0.009 (4)
C40.029 (3)0.061 (5)0.050 (4)0.003 (3)0.007 (3)0.010 (4)
C50.037 (3)0.070 (5)0.030 (3)0.007 (3)0.003 (3)0.007 (3)
C60.030 (3)0.044 (4)0.033 (3)−0.001 (2)0.000 (2)0.003 (3)
C70.026 (2)0.022 (2)0.025 (3)−0.0020 (19)−0.001 (2)−0.004 (2)
C80.033 (3)0.031 (3)0.033 (3)0.002 (2)−0.002 (2)0.002 (2)
C90.038 (3)0.053 (4)0.031 (3)0.000 (3)−0.009 (3)−0.001 (3)
C100.033 (3)0.044 (4)0.030 (3)−0.013 (3)0.004 (2)−0.006 (3)
C110.045 (3)0.032 (3)0.029 (3)−0.013 (3)0.004 (3)−0.002 (3)
C120.036 (3)0.027 (3)0.023 (3)−0.003 (2)−0.001 (2)−0.001 (2)
C130.026 (2)0.014 (2)0.035 (3)−0.0004 (18)0.005 (2)0.006 (2)
C140.033 (3)0.013 (2)0.030 (3)−0.0004 (19)−0.004 (2)0.005 (2)
C150.034 (3)0.023 (3)0.024 (3)0.000 (2)0.002 (2)0.000 (2)
C160.042 (3)0.024 (3)0.025 (3)0.010 (2)0.001 (2)−0.002 (2)
C170.053 (4)0.013 (2)0.042 (4)0.002 (2)−0.001 (3)0.000 (2)
C180.046 (4)0.016 (3)0.089 (6)−0.008 (3)0.002 (4)−0.008 (3)
C190.033 (3)0.017 (3)0.089 (6)−0.005 (2)0.006 (3)−0.009 (3)
C200.027 (2)0.016 (2)0.024 (3)0.0016 (18)−0.003 (2)−0.001 (2)
C210.029 (3)0.024 (3)0.031 (3)−0.001 (2)0.000 (2)0.005 (2)
C220.038 (3)0.035 (3)0.026 (3)0.005 (2)−0.002 (2)−0.003 (2)
C230.031 (3)0.027 (3)0.032 (3)0.002 (2)−0.007 (2)−0.010 (2)
C240.036 (3)0.019 (3)0.041 (3)−0.004 (2)−0.008 (3)−0.005 (2)
C250.032 (3)0.018 (2)0.027 (3)−0.0022 (19)−0.003 (2)0.004 (2)
C260.032 (3)0.023 (3)0.027 (3)0.001 (2)−0.008 (2)0.001 (2)
C270.050 (4)0.021 (3)0.030 (3)−0.009 (2)−0.007 (3)0.006 (2)
C280.088 (6)0.025 (3)0.039 (4)−0.009 (3)−0.026 (4)0.000 (3)
C290.116 (8)0.025 (3)0.048 (5)0.009 (4)−0.038 (5)−0.011 (3)
C300.073 (5)0.044 (4)0.041 (4)0.030 (4)−0.015 (4)−0.017 (3)
C310.045 (3)0.034 (3)0.032 (3)0.013 (3)−0.007 (3)−0.002 (3)
C320.026 (3)0.047 (4)0.032 (3)−0.010 (2)−0.010 (2)0.008 (3)
C330.033 (3)0.059 (4)0.043 (4)0.009 (3)−0.009 (3)0.002 (3)
C340.046 (4)0.106 (8)0.035 (4)−0.001 (4)−0.001 (3)−0.025 (5)
C350.062 (5)0.108 (8)0.027 (4)−0.037 (5)−0.009 (3)0.010 (4)
C360.084 (6)0.066 (5)0.032 (4)−0.041 (5)−0.018 (4)0.018 (4)
C370.054 (4)0.038 (3)0.028 (3)−0.019 (3)−0.013 (3)0.006 (3)
C380.026 (3)0.030 (3)0.045 (4)−0.004 (2)−0.007 (3)0.011 (3)
C39A0.031 (4)0.030 (4)0.082 (6)0.000 (3)−0.034 (5)0.006 (5)
C40A0.045 (5)0.051 (5)0.086 (6)−0.008 (4)−0.019 (5)0.012 (5)
C41A0.049 (7)0.043 (6)0.115 (8)−0.009 (5)−0.018 (7)−0.002 (6)
C42A0.056 (6)0.052 (6)0.099 (7)0.004 (4)−0.046 (6)−0.015 (6)
C43A0.074 (7)0.056 (6)0.077 (6)−0.002 (5)−0.034 (5)−0.003 (5)
C44A0.054 (5)0.039 (5)0.077 (6)−0.006 (4)−0.025 (5)−0.003 (5)
C450.028 (3)0.024 (3)0.019 (2)0.001 (2)0.001 (2)−0.002 (2)
C460.039 (3)0.026 (3)0.047 (4)0.001 (2)0.003 (3)0.011 (3)
C470.033 (3)0.026 (3)0.037 (3)−0.001 (2)−0.007 (3)−0.006 (2)
C480.035 (3)0.024 (3)0.036 (3)0.000 (2)−0.008 (3)0.001 (2)
C490.034 (3)0.016 (2)0.033 (3)0.002 (2)0.002 (2)0.006 (2)
C500.027 (2)0.021 (2)0.027 (3)0.0041 (19)−0.001 (2)0.005 (2)
C510.027 (3)0.037 (3)0.013 (2)−0.002 (2)−0.001 (2)0.001 (2)
C520.026 (3)0.043 (3)0.038 (3)0.003 (2)−0.006 (3)−0.018 (3)
C530.038 (3)0.023 (3)0.044 (4)−0.002 (2)−0.014 (3)0.002 (3)
Ru1—C461.872 (7)C18—C191.401 (8)
Ru1—C471.920 (6)C18—H18A0.9300
Ru1—C451.926 (5)C19—H19A0.9300
Ru1—As12.4492 (7)C20—C211.384 (7)
Ru1—Ru22.8598 (6)C20—C251.387 (7)
Ru1—Ru32.8702 (6)C21—C221.385 (8)
Ru2—C491.890 (6)C21—H21A0.9300
Ru2—C481.932 (6)C22—C231.371 (8)
Ru2—C501.935 (5)C22—H22A0.9300
Ru2—As22.4364 (7)C23—C241.393 (9)
Ru2—Ru32.8478 (6)C23—H23A0.9300
Ru3—C521.873 (7)C24—C251.384 (7)
Ru3—C531.925 (6)C24—H24A0.9300
Ru3—C511.943 (6)C25—H25A0.9300
Ru3—P12.3415 (14)C26—C311.393 (9)
As1—C71.946 (5)C26—C271.397 (8)
As1—C11.951 (6)C27—C281.385 (9)
As1—C131.966 (5)C27—H27A0.9300
As2—C201.944 (5)C28—C291.369 (13)
As2—C141.948 (5)C28—H28A0.9300
As2—C131.959 (5)C29—C301.359 (12)
P1—C261.815 (6)C29—H29A0.9300
P1—C321.835 (6)C30—C311.404 (9)
P1—C381.861 (6)C30—H30A0.9300
S1—C39B1.55 (7)C31—H31A0.9300
S1—C39A1.775 (11)C32—C331.359 (10)
S1—C381.822 (6)C32—C371.405 (9)
O1—C451.150 (6)C33—C341.402 (10)
O2—C461.152 (8)C33—H33A0.9300
O3—C471.153 (7)C34—C351.373 (13)
O4—C481.143 (7)C34—H34A0.9300
O5—C491.143 (7)C35—C361.370 (13)
O6—C501.144 (6)C35—H35A0.9300
O7—C511.141 (7)C36—C371.398 (9)
O8—C521.159 (8)C36—H36A0.9300
O9—C531.148 (7)C37—H37A0.9300
C1—C21.369 (8)C38—H38A0.9700
C1—C61.379 (9)C38—H38B0.9700
C2—C31.396 (10)C39A—C44A1.372 (18)
C2—H2A0.9300C39A—C40A1.374 (15)
C3—C41.359 (11)C40A—C41A1.378 (18)
C3—H3A0.9300C40A—H40A0.9300
C4—C51.381 (10)C41A—C42A1.32 (2)
C4—H4A0.9300C41A—H41A0.9300
C5—C61.379 (9)C42A—C43A1.386 (18)
C5—H5A0.9300C42A—H42A0.9300
C6—H6A0.9300C43A—C44A1.398 (14)
C7—C121.386 (7)C43A—H43A0.9300
C7—C81.393 (8)C44A—H44A0.9300
C8—C91.388 (9)C39B—C40B1.30 (7)
C8—H8A0.9300C39B—C44B1.38 (7)
C9—C101.379 (9)C40B—C41B1.42 (6)
C9—H9A0.9300C40B—H40B0.9300
C10—C111.374 (9)C41B—C42B1.11 (7)
C10—H10A0.9300C41B—H41B0.9300
C11—C121.391 (8)C42B—C43B1.28 (7)
C11—H11A0.9300C42B—H42B0.9300
C12—H12A0.9300C43B—C44B1.46 (8)
C13—H13A0.9700C43B—H43B0.9300
C13—H13B0.9700C44B—H44B0.9300
C14—C191.373 (8)Cl1A—C54A1.755 (16)
C14—C151.381 (8)Cl2A—C54A1.744 (16)
C15—C161.395 (7)Cl3A—C54A1.681 (17)
C15—H15A0.9300C54A—H54A0.9800
C16—C171.366 (8)Cl1B—C54B1.756 (18)
C16—H16A0.9300Cl2B—C54B1.761 (18)
C17—C181.354 (10)Cl3B—C54B1.753 (19)
C17—H17A0.9300C54B—H54B0.9800
C46—Ru1—C4794.4 (3)C19—C18—H18A119.9
C46—Ru1—C4589.7 (2)C14—C19—C18120.1 (6)
C47—Ru1—C45170.9 (2)C14—C19—H19A119.9
C46—Ru1—As199.1 (2)C18—C19—H19A119.9
C47—Ru1—As186.75 (18)C21—C20—C25119.8 (5)
C45—Ru1—As1100.64 (15)C21—C20—As2120.8 (4)
C46—Ru1—Ru2167.7 (2)C25—C20—As2119.3 (4)
C47—Ru1—Ru278.55 (18)C20—C21—C22119.9 (5)
C45—Ru1—Ru295.89 (16)C20—C21—H21A120.0
As1—Ru1—Ru290.56 (2)C22—C21—H21A120.0
C46—Ru1—Ru3111.1 (2)C23—C22—C21120.4 (6)
C47—Ru1—Ru391.73 (19)C23—C22—H22A119.8
C45—Ru1—Ru379.18 (16)C21—C22—H22A119.8
As1—Ru1—Ru3149.72 (2)C22—C23—C24120.0 (5)
Ru2—Ru1—Ru359.602 (15)C22—C23—H23A120.0
C49—Ru2—C4889.1 (3)C24—C23—H23A120.0
C49—Ru2—C5093.1 (2)C25—C24—C23119.7 (5)
C48—Ru2—C50174.3 (2)C25—C24—H24A120.1
C49—Ru2—As2100.44 (16)C23—C24—H24A120.1
C48—Ru2—As291.48 (18)C24—C25—C20120.0 (5)
C50—Ru2—As293.30 (16)C24—C25—H25A120.0
C49—Ru2—Ru3105.65 (17)C20—C25—H25A120.0
C48—Ru2—Ru381.14 (17)C31—C26—C27119.7 (6)
C50—Ru2—Ru393.17 (15)C31—C26—P1121.7 (5)
As2—Ru2—Ru3152.70 (2)C27—C26—P1118.5 (5)
C49—Ru2—Ru1162.64 (16)C28—C27—C26119.8 (7)
C48—Ru2—Ru198.13 (18)C28—C27—H27A120.1
C50—Ru2—Ru178.30 (16)C26—C27—H27A120.1
As2—Ru2—Ru195.16 (2)C29—C28—C27120.7 (7)
Ru3—Ru2—Ru160.382 (15)C29—C28—H28A119.7
C52—Ru3—C5391.4 (3)C27—C28—H28A119.7
C52—Ru3—C5189.8 (2)C30—C29—C28120.0 (7)
C53—Ru3—C51174.6 (2)C30—C29—H29A120.0
C52—Ru3—P199.78 (19)C28—C29—H29A120.0
C53—Ru3—P190.13 (17)C29—C30—C31121.4 (8)
C51—Ru3—P194.84 (16)C29—C30—H30A119.3
C52—Ru3—Ru2101.10 (19)C31—C30—H30A119.3
C53—Ru3—Ru294.15 (17)C26—C31—C30118.4 (7)
C51—Ru3—Ru280.47 (15)C26—C31—H31A120.8
P1—Ru3—Ru2158.56 (4)C30—C31—H31A120.8
C52—Ru3—Ru1159.0 (2)C33—C32—C37118.8 (6)
C53—Ru3—Ru181.7 (2)C33—C32—P1118.8 (5)
C51—Ru3—Ru195.31 (15)C37—C32—P1122.3 (5)
P1—Ru3—Ru1100.01 (4)C32—C33—C34121.7 (7)
Ru2—Ru3—Ru160.017 (15)C32—C33—H33A119.1
C7—As1—C1102.1 (2)C34—C33—H33A119.1
C7—As1—C13102.7 (2)C35—C34—C33119.4 (8)
C1—As1—C13101.3 (2)C35—C34—H34A120.3
C7—As1—Ru1123.75 (16)C33—C34—H34A120.3
C1—As1—Ru1114.40 (17)C36—C35—C34119.9 (7)
C13—As1—Ru1109.86 (17)C36—C35—H35A120.0
C20—As2—C14101.4 (2)C34—C35—H35A120.0
C20—As2—C13101.2 (2)C35—C36—C37120.9 (8)
C14—As2—C13103.6 (2)C35—C36—H36A119.5
C20—As2—Ru2120.55 (15)C37—C36—H36A119.5
C14—As2—Ru2114.75 (17)C36—C37—C32119.3 (7)
C13—As2—Ru2113.13 (15)C36—C37—H37A120.4
C26—P1—C32103.8 (3)C32—C37—H37A120.4
C26—P1—C38105.0 (3)S1—C38—P1114.7 (3)
C32—P1—C3899.7 (3)S1—C38—H38A108.6
C26—P1—Ru3114.58 (17)P1—C38—H38A108.6
C32—P1—Ru3118.0 (2)S1—C38—H38B108.6
C38—P1—Ru3113.85 (18)P1—C38—H38B108.6
C39B—S1—C39A22 (2)H38A—C38—H38B107.6
C39B—S1—C38103 (2)C44A—C39A—C40A118.6 (11)
C39A—S1—C38103.6 (4)C44A—C39A—S1118.1 (8)
C2—C1—C6119.1 (6)C40A—C39A—S1123.3 (11)
C2—C1—As1118.5 (5)C39A—C40A—C41A120.3 (14)
C6—C1—As1122.2 (4)C39A—C40A—H40A119.9
C1—C2—C3120.3 (7)C41A—C40A—H40A119.9
C1—C2—H2A119.8C42A—C41A—C40A121.7 (14)
C3—C2—H2A119.8C42A—C41A—H41A119.1
C4—C3—C2120.7 (7)C40A—C41A—H41A119.1
C4—C3—H3A119.6C41A—C42A—C43A119.8 (12)
C2—C3—H3A119.6C41A—C42A—H42A120.1
C3—C4—C5118.7 (7)C43A—C42A—H42A120.1
C3—C4—H4A120.6C42A—C43A—C44A119.1 (13)
C5—C4—H4A120.6C42A—C43A—H43A120.4
C6—C5—C4121.0 (7)C44A—C43A—H43A120.4
C6—C5—H5A119.5C39A—C44A—C43A120.4 (11)
C4—C5—H5A119.5C39A—C44A—H44A119.8
C5—C6—C1120.1 (6)C43A—C44A—H44A119.8
C5—C6—H6A120.0C40B—C39B—C44B112 (6)
C1—C6—H6A120.0C40B—C39B—S1123 (5)
C12—C7—C8119.4 (5)C44B—C39B—S1124 (5)
C12—C7—As1119.7 (4)C39B—C40B—C41B123 (5)
C8—C7—As1120.9 (4)C39B—C40B—H40B118.3
C9—C8—C7119.6 (6)C41B—C40B—H40B118.3
C9—C8—H8A120.2C42B—C41B—C40B122 (6)
C7—C8—H8A120.2C42B—C41B—H41B119.0
C10—C9—C8120.6 (6)C40B—C41B—H41B119.0
C10—C9—H9A119.7C41B—C42B—C43B123 (7)
C8—C9—H9A119.7C41B—C42B—H42B118.5
C11—C10—C9120.0 (6)C43B—C42B—H42B118.5
C11—C10—H10A120.0C42B—C43B—C44B117 (6)
C9—C10—H10A120.0C42B—C43B—H43B121.3
C10—C11—C12120.0 (6)C44B—C43B—H43B121.3
C10—C11—H11A120.0C39B—C44B—C43B119 (5)
C12—C11—H11A120.0C39B—C44B—H44B120.3
C7—C12—C11120.4 (5)C43B—C44B—H44B120.3
C7—C12—H12A119.8O1—C45—Ru1173.9 (5)
C11—C12—H12A119.8O2—C46—Ru1178.0 (6)
As2—C13—As1109.2 (2)O3—C47—Ru1172.2 (6)
As2—C13—H13A109.8O4—C48—Ru2173.1 (5)
As1—C13—H13A109.8O5—C49—Ru2179.3 (6)
As2—C13—H13B109.8O6—C50—Ru2174.9 (5)
As1—C13—H13B109.8O7—C51—Ru3174.5 (5)
H13A—C13—H13B108.3O8—C52—Ru3178.6 (6)
C19—C14—C15119.4 (5)O9—C53—Ru3173.8 (6)
C19—C14—As2121.5 (4)Cl3A—C54A—Cl2A97.4 (11)
C15—C14—As2118.8 (4)Cl3A—C54A—Cl1A112.0 (14)
C14—C15—C16119.6 (5)Cl2A—C54A—Cl1A116.4 (14)
C14—C15—H15A120.2Cl3A—C54A—H54A110.1
C16—C15—H15A120.2Cl2A—C54A—H54A110.1
C17—C16—C15120.6 (6)Cl1A—C54A—H54A110.1
C17—C16—H16A119.7Cl3B—C54B—Cl1B114.8 (17)
C15—C16—H16A119.7Cl3B—C54B—Cl2B102.4 (15)
C18—C17—C16120.1 (5)Cl1B—C54B—Cl2B110.5 (17)
C18—C17—H17A119.9Cl3B—C54B—H54B109.6
C16—C17—H17A119.9Cl1B—C54B—H54B109.6
C17—C18—C19120.2 (6)Cl2B—C54B—H54B109.6
C17—C18—H18A119.9
C46—Ru1—Ru2—C49−82.0 (11)C13—As1—C1—C264.8 (6)
C47—Ru1—Ru2—C49−137.8 (6)Ru1—As1—C1—C2−53.3 (6)
C45—Ru1—Ru2—C4934.9 (6)C7—As1—C1—C6−13.9 (5)
As1—Ru1—Ru2—C49135.7 (6)C13—As1—C1—C6−119.7 (5)
Ru3—Ru1—Ru2—C49−38.9 (6)Ru1—As1—C1—C6122.2 (5)
C46—Ru1—Ru2—C4831.8 (9)C6—C1—C2—C30.5 (11)
C47—Ru1—Ru2—C48−24.0 (3)As1—C1—C2—C3176.2 (6)
C45—Ru1—Ru2—C48148.7 (2)C1—C2—C3—C4−1.1 (13)
As1—Ru1—Ru2—C48−110.55 (18)C2—C3—C4—C50.8 (12)
Ru3—Ru1—Ru2—C4874.92 (18)C3—C4—C5—C60.1 (11)
C46—Ru1—Ru2—C50−143.6 (9)C4—C5—C6—C1−0.7 (10)
C47—Ru1—Ru2—C50160.6 (2)C2—C1—C6—C50.4 (10)
C45—Ru1—Ru2—C50−26.7 (2)As1—C1—C6—C5−175.1 (5)
As1—Ru1—Ru2—C5074.01 (16)C1—As1—C7—C12107.6 (5)
Ru3—Ru1—Ru2—C50−100.53 (16)C13—As1—C7—C12−147.7 (5)
C46—Ru1—Ru2—As2124.0 (9)Ru1—As1—C7—C12−23.0 (5)
C47—Ru1—Ru2—As268.27 (19)C1—As1—C7—C8−72.4 (5)
C45—Ru1—Ru2—As2−119.06 (15)C13—As1—C7—C832.3 (5)
As1—Ru1—Ru2—As2−18.31 (2)Ru1—As1—C7—C8157.0 (4)
Ru3—Ru1—Ru2—As2167.16 (2)C12—C7—C8—C90.2 (9)
C46—Ru1—Ru2—Ru3−43.1 (9)As1—C7—C8—C9−179.9 (5)
C47—Ru1—Ru2—Ru3−98.89 (19)C7—C8—C9—C101.9 (10)
C45—Ru1—Ru2—Ru373.78 (15)C8—C9—C10—C11−2.8 (10)
As1—Ru1—Ru2—Ru3174.54 (2)C9—C10—C11—C121.6 (10)
C49—Ru2—Ru3—C52−21.0 (3)C8—C7—C12—C11−1.4 (9)
C48—Ru2—Ru3—C5265.6 (3)As1—C7—C12—C11178.7 (5)
C50—Ru2—Ru3—C52−115.1 (3)C10—C11—C12—C70.5 (9)
As2—Ru2—Ru3—C52141.4 (2)C20—As2—C13—As1−95.6 (3)
Ru1—Ru2—Ru3—C52170.2 (2)C14—As2—C13—As1159.7 (3)
C49—Ru2—Ru3—C53−113.2 (3)Ru2—As2—C13—As134.8 (3)
C48—Ru2—Ru3—C53−26.7 (3)C7—As1—C13—As281.0 (3)
C50—Ru2—Ru3—C53152.6 (3)C1—As1—C13—As2−173.7 (3)
As2—Ru2—Ru3—C5349.1 (2)Ru1—As1—C13—As2−52.4 (3)
Ru1—Ru2—Ru3—C5378.0 (2)C20—As2—C14—C19−145.9 (6)
C49—Ru2—Ru3—C5166.9 (2)C13—As2—C14—C19−41.3 (6)
C48—Ru2—Ru3—C51153.5 (3)Ru2—As2—C14—C1982.6 (6)
C50—Ru2—Ru3—C51−27.2 (2)C20—As2—C14—C1540.4 (5)
As2—Ru2—Ru3—C51−130.70 (17)C13—As2—C14—C15145.0 (5)
Ru1—Ru2—Ru3—C51−101.85 (16)Ru2—As2—C14—C15−91.1 (4)
C49—Ru2—Ru3—P1145.8 (2)C19—C14—C15—C16−0.7 (9)
C48—Ru2—Ru3—P1−127.7 (2)As2—C14—C15—C16173.1 (4)
C50—Ru2—Ru3—P151.6 (2)C14—C15—C16—C170.4 (9)
As2—Ru2—Ru3—P1−51.88 (12)C15—C16—C17—C180.5 (10)
Ru1—Ru2—Ru3—P1−23.03 (10)C16—C17—C18—C19−1.1 (12)
C49—Ru2—Ru3—Ru1168.78 (17)C15—C14—C19—C180.2 (11)
C48—Ru2—Ru3—Ru1−104.7 (2)As2—C14—C19—C18−173.5 (6)
C50—Ru2—Ru3—Ru174.62 (17)C17—C18—C19—C140.8 (12)
As2—Ru2—Ru3—Ru1−28.85 (5)C14—As2—C20—C2156.9 (5)
C46—Ru1—Ru3—C52143.3 (5)C13—As2—C20—C21−49.6 (5)
C47—Ru1—Ru3—C5247.9 (5)Ru2—As2—C20—C21−175.1 (4)
C45—Ru1—Ru3—C52−131.2 (5)C14—As2—C20—C25−124.5 (4)
As1—Ru1—Ru3—C52−38.6 (5)C13—As2—C20—C25129.0 (4)
Ru2—Ru1—Ru3—C52−27.8 (5)Ru2—As2—C20—C253.4 (5)
C46—Ru1—Ru3—C5371.4 (3)C25—C20—C21—C22−1.6 (8)
C47—Ru1—Ru3—C53−24.0 (2)As2—C20—C21—C22176.9 (4)
C45—Ru1—Ru3—C53156.8 (2)C20—C21—C22—C23−0.8 (9)
As1—Ru1—Ru3—C53−110.57 (18)C21—C22—C23—C242.5 (9)
Ru2—Ru1—Ru3—C53−99.69 (17)C22—C23—C24—C25−1.7 (9)
C46—Ru1—Ru3—C51−113.2 (3)C23—C24—C25—C20−0.7 (9)
C47—Ru1—Ru3—C51151.4 (2)C21—C20—C25—C242.4 (8)
C45—Ru1—Ru3—C51−27.7 (2)As2—C20—C25—C24−176.2 (4)
As1—Ru1—Ru3—C5164.89 (17)C32—P1—C26—C31−122.1 (5)
Ru2—Ru1—Ru3—C5175.77 (16)C38—P1—C26—C31−17.8 (5)
C46—Ru1—Ru3—P1−17.3 (2)Ru3—P1—C26—C31107.8 (4)
C47—Ru1—Ru3—P1−112.71 (17)C32—P1—C26—C2761.4 (5)
C45—Ru1—Ru3—P168.16 (16)C38—P1—C26—C27165.6 (4)
As1—Ru1—Ru3—P1160.77 (5)Ru3—P1—C26—C27−68.7 (5)
Ru2—Ru1—Ru3—P1171.65 (4)C31—C26—C27—C281.0 (8)
C46—Ru1—Ru3—Ru2171.0 (2)P1—C26—C27—C28177.6 (5)
C47—Ru1—Ru3—Ru275.64 (17)C26—C27—C28—C290.2 (9)
C45—Ru1—Ru3—Ru2−103.49 (16)C27—C28—C29—C30−0.4 (11)
As1—Ru1—Ru3—Ru2−10.89 (4)C28—C29—C30—C31−0.7 (11)
C46—Ru1—As1—C7107.2 (3)C27—C26—C31—C30−2.0 (8)
C47—Ru1—As1—C7−158.9 (3)P1—C26—C31—C30−178.5 (5)
C45—Ru1—As1—C715.7 (3)C29—C30—C31—C261.9 (10)
Ru2—Ru1—As1—C7−80.36 (19)C26—P1—C32—C33−173.6 (5)
Ru3—Ru1—As1—C7−71.0 (2)C38—P1—C32—C3378.1 (5)
C46—Ru1—As1—C1−18.2 (3)Ru3—P1—C32—C33−45.6 (5)
C47—Ru1—As1—C175.7 (3)C26—P1—C32—C3710.4 (6)
C45—Ru1—As1—C1−109.7 (2)C38—P1—C32—C37−97.9 (5)
Ru2—Ru1—As1—C1154.23 (19)Ru3—P1—C32—C37138.4 (5)
Ru3—Ru1—As1—C1163.60 (19)C37—C32—C33—C34−0.1 (10)
C46—Ru1—As1—C13−131.3 (2)P1—C32—C33—C34−176.2 (6)
C47—Ru1—As1—C13−37.4 (2)C32—C33—C34—C35−1.1 (11)
C45—Ru1—As1—C13137.2 (2)C33—C34—C35—C360.9 (12)
Ru2—Ru1—As1—C1341.14 (16)C34—C35—C36—C370.6 (12)
Ru3—Ru1—As1—C1350.51 (17)C35—C36—C37—C32−1.8 (11)
C49—Ru2—As2—C20−58.0 (2)C33—C32—C37—C361.5 (10)
C48—Ru2—As2—C20−147.4 (3)P1—C32—C37—C36177.5 (5)
C50—Ru2—As2—C2035.8 (2)C39B—S1—C38—P1−142 (2)
Ru3—Ru2—As2—C20139.24 (18)C39A—S1—C38—P1−119.5 (5)
Ru1—Ru2—As2—C20114.33 (18)C26—P1—C38—S1−49.4 (4)
C49—Ru2—As2—C1463.6 (2)C32—P1—C38—S157.8 (4)
C48—Ru2—As2—C14−25.8 (3)Ru3—P1—C38—S1−175.6 (3)
C50—Ru2—As2—C14157.4 (2)C39B—S1—C39A—C44A−172 (7)
Ru3—Ru2—As2—C14−99.15 (19)C38—S1—C39A—C44A97.0 (8)
Ru1—Ru2—As2—C14−124.06 (18)C39B—S1—C39A—C40A6(7)
C49—Ru2—As2—C13−177.8 (2)C38—S1—C39A—C40A−85.4 (9)
C48—Ru2—As2—C1392.8 (3)C44A—C39A—C40A—C41A0.9 (16)
C50—Ru2—As2—C13−84.0 (2)S1—C39A—C40A—C41A−176.7 (9)
Ru3—Ru2—As2—C1319.45 (18)C39A—C40A—C41A—C42A1.5 (18)
Ru1—Ru2—As2—C13−5.47 (17)C40A—C41A—C42A—C43A−2.8 (18)
C52—Ru3—P1—C26122.3 (3)C41A—C42A—C43A—C44A1.8 (17)
C53—Ru3—P1—C26−146.3 (3)C40A—C39A—C44A—C43A−1.8 (15)
C51—Ru3—P1—C2631.6 (3)S1—C39A—C44A—C43A175.9 (8)
Ru2—Ru3—P1—C26−44.5 (3)C42A—C43A—C44A—C39A0.5 (16)
Ru1—Ru3—P1—C26−64.7 (2)C39A—S1—C39B—C40B168 (12)
C52—Ru3—P1—C32−0.5 (3)C38—S1—C39B—C40B−98 (6)
C53—Ru3—P1—C3291.0 (3)C39A—S1—C39B—C44B0(3)
C51—Ru3—P1—C32−91.1 (3)C38—S1—C39B—C44B94 (6)
Ru2—Ru3—P1—C32−167.3 (2)C44B—C39B—C40B—C41B−7(8)
Ru1—Ru3—P1—C32172.6 (2)S1—C39B—C40B—C41B−176 (4)
C52—Ru3—P1—C38−116.8 (3)C39B—C40B—C41B—C42B−5(9)
C53—Ru3—P1—C38−25.4 (3)C40B—C41B—C42B—C43B18 (11)
C51—Ru3—P1—C38152.5 (3)C41B—C42B—C43B—C44B−18 (11)
Ru2—Ru3—P1—C3876.4 (3)C40B—C39B—C44B—C43B6(8)
Ru1—Ru3—P1—C3856.3 (2)S1—C39B—C44B—C43B175 (5)
C7—As1—C1—C2170.6 (6)C42B—C43B—C44B—C39B5(9)
Cg1, Cg2 and Cg3 are the centroids of the C39A–C44A, C14–C19 and C32–C37benzene rings, respectively.
D—H···AD—HH···AD···AD—H···A
C18—H18A···O1i0.932.533.457 (7)175
C29—H29A···O3ii0.932.453.331 (9)158
C3—H3A···Cg1iii0.932.823.654 (9)151
C23—H23A···Cg2iv0.932.873.691 (7)147
C44A—H44A···Cg30.932.763.526 (12)141
Table 1

Hydrogen-bond geometry (Å, °)

Cg1, Cg2 and Cg3 are the centroids of the C39A–C44A, C14–C19 and C32–C37 benzene rings, respectively.

D—H⋯AD—HH⋯ADAD—H⋯A
C18—H18A⋯O1i0.932.533.457 (7)175
C29—H29A⋯O3ii0.932.453.331 (9)158
C3—H3ACg1iii0.932.823.654 (9)151
C23—H23ACg2iv0.932.873.691 (7)147
C44A—H44ACg30.932.763.526 (12)141

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .

  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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