metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 66| Part 1| January 2010| Pages m73-m74

(Benzyl­di­phenyl­phosphine-3κP)[μ-bis­(di­phenyl­arsino)methane-1:2κ2As:As′]nona­carbonyl-1κ3C,2κ3C,3κ3C-triangulo-triruthenium(0)

aChemical Sciences Programme, School of Distance Education, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia, and bX-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia
*Correspondence e-mail: omarsa@usm.my

(Received 7 December 2009; accepted 9 December 2009; online 16 December 2009)

The asymmetric unit of the title triangulo-triruthenium compound, [Ru3(C25H22As2)(C19H17P)(CO)9], consists of two crystallographically independent mol­ecules of the triangulo-triruthenium complex, A and B. The bis­(diphenyl­arsino)methane ligand bridges an Ru—Ru bond and the monodentate phosphine ligand bonds to the third Ru atom. Both the phosphine and arsine ligands are equatorial with respect to the Ru3 triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. With regard to the three phosphine-substituted rings, the benzyl ring makes dihedral angles of 41.0 (3) and 43.9 (3)° with the other two benzene rings in mol­ecule A; these angles are 49.8 (3) and 56.8 (3)° in mol­ecule B. The dihedral angles between the two benzene rings are 76.1 (3) and 88.2 (3)° for the two diphenyl­arsino groups in mol­ecule A and 71.3 (3) and 78.1 (3)° in mol­ecule B. In the crystal packing, mol­ecules are linked into chains via inter­molecular C—H⋯O hydrogen bonds. Weak inter­molecular C—H⋯π inter­actions further stabilize the crystal structure.

Related literature

For general background to triangulo-triruthenium derivatives, see: Bruce et al. (1985[Bruce, M. I., Shawkataly, O. bin & Williams, M. L. (1985). J. Organomet. Chem. 287, 127-131.], 1988a[Bruce, M. I., Liddell, M. J., Hughes, C. A., Patrick, J. M., Skelton, B. W. & White, A. H. (1988a). J. Organomet. Chem. 347, 181-205.],b[Bruce, M. I., Liddell, M. J., Shawkataly, O. bin, Hughes, C. A., Skelton, B. W. & White, A. H. (1988b). J. Organomet. Chem. 347, 207-235.]). For related structures, see: Shawkataly et al. (1998[Shawkataly, O. bin., Ramalingam, K., Lee, S. T., Parameswary, M., Fun, H.-K. & Sivakumar, K. (1998). Polyhedron, 17, 1211-1216.], 2004[Shawkataly, O. bin., Ramalingam, K., Fun, H.-K., Abdul Rahman, A., & Razak, I. A. (2004). J. Cluster Sci. 15, 387-394.], 2009[Shawkataly, O. bin, Khan, I. A., Yeap, C. S. & Fun, H.-K. (2009). Acta Cryst. E65, m1620-m1621.]). For the synthesis of μ-bis­(diphenyl­arsino)methane­deca­carbonyl­triruthenium(0), see: Bruce et al. (1983[Bruce, M. I., Matisons, J. G. & Nicholson, B. K. (1983). J. Organomet. Chem. 247, 321-343.]). For stability of the temperature controller used for the data collection, see: Cosier & Glazer (1986[Cosier, J. & Glazer, A. M. (1986). J. Appl. Cryst. 19, 105-107.]).

[Scheme 1]

Experimental

Crystal data
  • [Ru3(C25H22As2)(C19H17P)(CO)9]

  • Mr = 1303.86

  • Monoclinic, P 21 /c

  • a = 13.4824 (2) Å

  • b = 35.5978 (6) Å

  • c = 23.3473 (4) Å

  • β = 117.597 (1)°

  • V = 9930.5 (3) Å3

  • Z = 8

  • Mo Kα radiation

  • μ = 2.31 mm−1

  • T = 100 K

  • 0.48 × 0.16 × 0.03 mm

Data collection
  • Bruker SMART APEXII CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.402, Tmax = 0.945

  • 131198 measured reflections

  • 29004 independent reflections

  • 18757 reflections with I > 2σ(I)

  • Rint = 0.071

Refinement
  • R[F2 > 2σ(F2)] = 0.062

  • wR(F2) = 0.112

  • S = 1.05

  • 29004 reflections

  • 1226 parameters

  • H-atom parameters constrained

  • Δρmax = 2.08 e Å−3

  • Δρmin = −1.19 e Å−3

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
C16A—H16A⋯O6B 0.93 2.59 3.189 (6) 123
C30A—H30A⋯O7Ai 0.93 2.58 3.261 (6) 130
C42B—H42B⋯O9Bii 0.93 2.58 3.241 (7) 129
C28A—H28ACg1iii 0.93 2.72 3.570 (7) 152
C28B—H28BCg2iv 0.93 2.87 3.648 (7) 142
C40A—H40ACg3 0.93 2.77 3.474 (7) 133
C44B—H44BCg4 0.93 2.94 3.615 (7) 130
Symmetry codes: (i) -x+2, -y+2, -z+1; (ii) -x, -y+1, -z+1; (iii) [x+1, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (iv) [x-1, -y+{\script{1\over 2}}, z-{\script{3\over 2}}]. Cg1, Cg2, Cg3 and Cg4 are the centroids of the C1B–C6B, C1A–C6A, C26A–C31A and C26B–C31B benzene rings, respectively.

Data collection: APEX2 (Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]).

Supporting information


Comment top

Triangulo-triruthenium clusters are known for their interesting structural variations and related catalytic activity. A large number of substituted derivatives, Ru3(CO)12-nLn (L = group 15 ligand) have been reported (Bruce, Liddell et al., 1988a, b; Bruce et al., 1985). As part of our study on the substitution of transition metal-carbonyl clusters with mixed-ligand complexes, we have published several structures of triangulo-triruthenium-carbonyl clusters containing mixed P/As and P/Sb ligands (Shawkataly et al., 1998, 2004, 2009). Herein we report the synthesis and structure of Ru3(C19H17P)(C25H22As2)(CO)9.

The asymmetric unit consists of two crystallographically independent molecules of the triangulo-triruthenium complex, A and B (Fig. 1). The bond lengths and angles of title compound are comparable to those found in its related structure (Shawkataly et al., 2009). The bis(diphenylarsino)methane ligand bridges the Ru1—Ru2 bond and the monodentate phosphine ligand bonds to the Ru3 atom. Both the phosphine and arsine ligands are equatorial with respect to the Ru3 triangle. Additionally, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. For the three phosphine-substituted rings, the benzyl ring makes dihedral angles of 41.0 (3) and 43.9 (3)° (C26–C31/C39–C44 and C32–C37/C39–C44) with the other two benzene rings in molecule A whereas these angles are 49.8 (3) and 56.8 (3)° in molecule B. The dihedral angles between the two benzene rings (C1–C6/C7–C12 and C14–C19/C20–C25) are 76.1 (3) and 88.2 (3)° for the two diphenylarsino groups in molecule A and 71.3 (3) and 78.1 (3)° in molecule B.

In the crystal packing, the molecules are linked into chains via intermolecular C16A—H16A···O6B, C30A—H30A···O7A and C42B—H42B···O9B hydrogen bonds (Fig. 2). Weak intermolecular C—H···π interactions further stabilize the crystal structure (Table 1).

Related literature top

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 top

All manipulations were performed under a dry oxygen-free dinitrogen atmosphere using standard Schlenk techniques, all solvents were dried over sodium and distilled from sodium benzophenone ketyl under nitrogen. Benzyldiphenylphosphine (Strem Chemicals) was used as recieved and µ-bis(diphenylarsino)methane-decacarbonyl-triruthenium(0) (Bruce et al., 1983) was prepared by a reported procedure. The title compound was obtained by refluxing equimolar quantities of Ru3(CO)10(µ-Ph2AsCH2AsPh2) (105.5 mg, 0.1 mmol) and benzyldiphenylphosphine (32.02 mg, 0.1 mmol) in hexane under a nitrogen atmosphere. Crystals suitable for X-ray diffraction were grown by slow solvent / solvent diffusion of CH3OH into CH2Cl2.

Refinement top

All hydrogen atoms were positioned geometrically and refined using a riding model with C—H = 0.93–0.97 Å and Uiso(H) = 1.2 Ueq(C). There are several relatively large peaks in the the difference map. However, a suitable alternative model based on the solvents used in the synthesis or the crystallization of the title complex could not be found. The maximum and minimum residual electron density peaks of 2.08 and -1.19 eÅ-3, respectively, were located 1.19 Å and 0.90 Å from the C7A and RU3A atoms, respectively.

Computing details top

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009).

Figures top
[Figure 1] Fig. 1. The molecular structure of the title compound with 30% probability ellipsoids for non-H atoms.
[Figure 2] Fig. 2. The crystal packing of the title compound, viewed down the c axis, showing the molecules linked into a chain. Hydrogen atoms that not involved in the hydrogen-bonding (dashed lines) have been omitted for clarity.
(Benzyldiphenylphosphine-3κP)[µ-bis(diphenylarsino)methane- 1:2κ2As:As']nonacarbonyl- 1κ3C,2κ3C,3κ3C-triangulo-triruthenium(0) top
Crystal data top
[Ru3(C25H22As2)(C19H17P)(CO)9]F(000) = 5136
Mr = 1303.86Dx = 1.744 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 9933 reflections
a = 13.4824 (2) Åθ = 2.3–29.2°
b = 35.5978 (6) ŵ = 2.31 mm1
c = 23.3473 (4) ÅT = 100 K
β = 117.597 (1)°Plate, red
V = 9930.5 (3) Å30.48 × 0.16 × 0.03 mm
Z = 8
Data collection top
Bruker SMART APEXII CCD area-detector
diffractometer
29004 independent reflections
Radiation source: fine-focus sealed tube18757 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.071
ϕ and ω scansθmax = 30.0°, θmin = 1.1°
Absorption correction: multi-scan
(SADABS; Bruker, 2005)
h = 1818
Tmin = 0.402, Tmax = 0.945k = 5044
131198 measured reflectionsl = 3222
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.062Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.112H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0284P)2 + 35.7105P]
where P = (Fo2 + 2Fc2)/3
29004 reflections(Δ/σ)max = 0.002
1226 parametersΔρmax = 2.08 e Å3
0 restraintsΔρmin = 1.19 e Å3
Crystal data top
[Ru3(C25H22As2)(C19H17P)(CO)9]V = 9930.5 (3) Å3
Mr = 1303.86Z = 8
Monoclinic, P21/cMo Kα radiation
a = 13.4824 (2) ŵ = 2.31 mm1
b = 35.5978 (6) ÅT = 100 K
c = 23.3473 (4) Å0.48 × 0.16 × 0.03 mm
β = 117.597 (1)°
Data collection top
Bruker SMART APEXII CCD area-detector
diffractometer
29004 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2005)
18757 reflections with I > 2σ(I)
Tmin = 0.402, Tmax = 0.945Rint = 0.071
131198 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0620 restraints
wR(F2) = 0.112H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0284P)2 + 35.7105P]
where P = (Fo2 + 2Fc2)/3
29004 reflectionsΔρmax = 2.08 e Å3
1226 parametersΔρmin = 1.19 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ru1A0.76373 (3)0.886190 (11)0.500136 (19)0.01238 (9)
Ru2A0.65234 (3)0.851053 (11)0.375632 (19)0.01265 (9)
Ru3A0.88866 (3)0.859273 (11)0.436070 (19)0.01141 (8)
As1A0.59031 (4)0.886381 (14)0.50761 (2)0.01318 (11)
As2A0.46232 (4)0.864590 (14)0.35505 (2)0.01289 (11)
P1A1.07682 (10)0.86564 (4)0.51268 (6)0.0133 (3)
O1A0.7068 (3)0.96100 (10)0.4261 (2)0.0276 (9)
O2A0.9059 (3)0.92692 (11)0.62601 (19)0.0306 (10)
O3A0.8498 (3)0.81485 (10)0.58225 (18)0.0223 (8)
O4A0.6528 (3)0.78247 (10)0.45562 (18)0.0237 (9)
O5A0.6323 (3)0.80072 (11)0.26561 (19)0.0305 (10)
O6A0.6353 (3)0.92231 (11)0.29746 (19)0.0277 (9)
O7A0.8800 (3)0.93986 (10)0.38671 (17)0.0179 (8)
O8A0.9127 (3)0.83289 (10)0.3200 (2)0.0262 (9)
O9A0.8950 (3)0.77640 (10)0.47621 (18)0.0223 (8)
C1A0.5646 (4)0.92845 (14)0.5528 (2)0.0165 (11)
C2A0.6195 (4)0.96206 (14)0.5569 (2)0.0172 (11)
H10.67000.96350.54020.021*
C3A0.6007 (5)0.99346 (14)0.5852 (3)0.0205 (12)
H20.63881.01570.58810.025*
C4A0.5245 (4)0.99142 (16)0.6092 (3)0.0223 (12)
H30.51111.01240.62830.027*
C5A0.4685 (4)0.95852 (16)0.6050 (3)0.0231 (12)
H40.41700.95750.62100.028*
C6A0.4878 (4)0.92695 (16)0.5773 (3)0.0229 (12)
H50.44970.90470.57490.027*
C7A0.5601 (4)0.84357 (14)0.5489 (3)0.0172 (11)
C8A0.6318 (4)0.83769 (14)0.6143 (3)0.0204 (12)
H60.69050.85430.63690.025*
C9A0.6155 (5)0.80729 (16)0.6456 (3)0.0282 (14)
H70.66240.80360.68950.034*
C10A0.5294 (5)0.78217 (16)0.6117 (3)0.0282 (14)
H10A0.51860.76170.63290.034*
C11A0.4599 (5)0.78746 (15)0.5468 (3)0.0264 (13)
H11A0.40320.77020.52430.032*
C12A0.4733 (4)0.81818 (14)0.5147 (3)0.0209 (12)
H12A0.42520.82190.47110.025*
C13A0.4541 (4)0.89210 (13)0.4250 (2)0.0149 (10)
H13A0.39040.88310.42990.018*
H13B0.44220.91850.41390.018*
C14A0.3564 (4)0.82396 (14)0.3375 (2)0.0166 (11)
C15A0.3831 (4)0.78765 (13)0.3276 (2)0.0152 (11)
H15A0.45310.78260.33070.018*
C16A0.3058 (4)0.75911 (14)0.3130 (2)0.0188 (11)
H16A0.32440.73470.30740.023*
C17A0.2004 (4)0.76683 (15)0.3067 (3)0.0221 (12)
H17A0.14820.74760.29670.026*
C18A0.1729 (5)0.80301 (15)0.3154 (3)0.0277 (14)
H18A0.10240.80820.31130.033*
C19A0.2504 (4)0.83151 (15)0.3301 (3)0.0259 (13)
H19A0.23130.85590.33510.031*
C20A0.3729 (4)0.89564 (14)0.2808 (2)0.0171 (11)
C21A0.3098 (4)0.92572 (15)0.2820 (3)0.0224 (12)
H21A0.31000.93270.32050.027*
C22A0.2450 (5)0.94595 (16)0.2250 (3)0.0303 (14)
H22A0.20360.96660.22620.036*
C23A0.2424 (5)0.93566 (17)0.1681 (3)0.0290 (14)
H23A0.20030.94940.13070.035*
C24A0.3029 (5)0.90466 (16)0.1664 (3)0.0274 (13)
H24A0.29930.89710.12740.033*
C25A0.3686 (4)0.88493 (16)0.2222 (3)0.0243 (12)
H25A0.41020.86440.22070.029*
C26A1.1224 (4)0.90445 (13)0.5703 (2)0.0140 (10)
C27A1.2271 (4)0.90382 (15)0.6253 (3)0.0196 (11)
H27A1.27020.88210.63550.024*
C28A1.2671 (4)0.93504 (15)0.6644 (3)0.0231 (12)
H28A1.33640.93400.70100.028*
C29A1.2053 (4)0.96770 (15)0.6498 (3)0.0214 (12)
H29A1.23340.98880.67600.026*
C30A1.1011 (5)0.96911 (14)0.5959 (3)0.0214 (12)
H30A1.05880.99100.58590.026*
C31A1.0604 (4)0.93770 (13)0.5570 (2)0.0165 (11)
H31A0.99010.93870.52120.020*
C32A1.1319 (4)0.82436 (13)0.5641 (3)0.0162 (11)
C33A1.1788 (4)0.79435 (14)0.5468 (3)0.0232 (12)
H33A1.18930.79620.51030.028*
C34A1.2098 (5)0.76191 (16)0.5831 (3)0.0294 (14)
H34A1.24130.74220.57100.035*
C35A1.1942 (5)0.75856 (15)0.6374 (3)0.0285 (14)
H35A1.21520.73660.66180.034*
C36A1.1470 (4)0.78813 (15)0.6554 (3)0.0230 (12)
H36A1.13620.78610.69180.028*
C37A1.1163 (4)0.82044 (14)0.6186 (3)0.0204 (12)
H37A1.08440.84010.63060.024*
C38A1.1753 (4)0.87114 (14)0.4783 (3)0.0174 (11)
H38A1.25130.87110.51330.021*
H38B1.16760.84970.45080.021*
C39A1.1569 (4)0.90676 (14)0.4392 (3)0.0174 (11)
C40A1.1878 (4)0.94205 (15)0.4688 (3)0.0215 (12)
H40A1.22720.94380.51360.026*
C41A1.1596 (5)0.97433 (15)0.4316 (3)0.0264 (13)
H41A1.17740.99770.45180.032*
C42A1.1057 (5)0.97248 (16)0.3650 (3)0.0270 (13)
H42A1.08620.99440.34050.032*
C43A1.0811 (5)0.93808 (16)0.3351 (3)0.0266 (13)
H43A1.04870.93670.29020.032*
C44A1.1044 (4)0.90529 (15)0.3716 (3)0.0198 (12)
H44A1.08480.88210.35080.024*
C45A0.7269 (4)0.93195 (15)0.4502 (3)0.0190 (12)
C46A0.8544 (4)0.91159 (15)0.5775 (3)0.0185 (11)
C47A0.8161 (4)0.83991 (15)0.5474 (3)0.0170 (11)
C48A0.6587 (4)0.80877 (15)0.4286 (3)0.0193 (12)
C49A0.6364 (4)0.82009 (15)0.3053 (3)0.0197 (12)
C50A0.6473 (4)0.89623 (15)0.3288 (3)0.0198 (12)
C51A0.8788 (4)0.91046 (14)0.4065 (2)0.0137 (10)
C52A0.9062 (4)0.84217 (13)0.3651 (3)0.0161 (11)
C53A0.8882 (4)0.80748 (15)0.4629 (2)0.0161 (11)
Ru1B0.42063 (3)0.640248 (11)0.520022 (19)0.01315 (9)
Ru2B0.30365 (3)0.605718 (11)0.395962 (19)0.01302 (9)
Ru3B0.18372 (3)0.637768 (11)0.460014 (19)0.01191 (8)
As1B0.47520 (4)0.605726 (14)0.38588 (2)0.01345 (11)
As2B0.60936 (4)0.625216 (14)0.53966 (2)0.01376 (11)
P1B0.00699 (10)0.63514 (4)0.38705 (6)0.0135 (3)
O1B0.4252 (3)0.70809 (10)0.43994 (18)0.0231 (9)
O2B0.4427 (3)0.68995 (11)0.6308 (2)0.0325 (10)
O3B0.4406 (3)0.56760 (11)0.59609 (19)0.0288 (10)
O4B0.3627 (4)0.53067 (11)0.4695 (2)0.0338 (10)
O5B0.1563 (3)0.56302 (11)0.27274 (19)0.0287 (9)
O6B0.2145 (3)0.67645 (10)0.31295 (18)0.0206 (8)
O7B0.1899 (3)0.72067 (10)0.42444 (19)0.0235 (9)
O8B0.1584 (3)0.66850 (10)0.57293 (19)0.0258 (9)
O9B0.1874 (3)0.55697 (10)0.50761 (18)0.0217 (8)
C1B0.4941 (4)0.56427 (14)0.3373 (2)0.0156 (11)
C2B0.4412 (4)0.53019 (14)0.3351 (3)0.0199 (12)
H80.39590.52810.35520.024*
C3B0.4553 (4)0.49962 (14)0.3036 (3)0.0199 (12)
H90.41950.47710.30250.024*
C4B0.5229 (4)0.50231 (15)0.2733 (3)0.0221 (12)
H100.53300.48160.25210.027*
C5B0.5748 (4)0.53597 (15)0.2749 (3)0.0229 (12)
H110.61950.53790.25440.027*
C6B0.5612 (4)0.56703 (14)0.3067 (3)0.0185 (11)
H120.59680.58950.30760.022*
C7B0.5030 (4)0.64876 (13)0.3448 (2)0.0141 (10)
C8B0.4311 (4)0.65480 (15)0.2796 (3)0.0217 (12)
H130.37210.63830.25760.026*
C9B0.4457 (5)0.68492 (15)0.2470 (3)0.0249 (13)
H140.39720.68860.20340.030*
C10B0.5342 (5)0.70981 (15)0.2803 (3)0.0279 (14)
H10B0.54540.73000.25860.033*
C11B0.6051 (5)0.70449 (15)0.3454 (3)0.0299 (14)
H11B0.66300.72140.36760.036*
C12B0.5899 (4)0.67398 (14)0.3777 (3)0.0203 (12)
H12B0.63790.67040.42150.024*
C13B0.6145 (4)0.60009 (14)0.4663 (2)0.0157 (11)
H13C0.67570.61050.46040.019*
H13D0.62940.57360.47600.019*
C14B0.7160 (4)0.66613 (13)0.5608 (2)0.0143 (10)
C15B0.8239 (4)0.65883 (17)0.5704 (3)0.0290 (14)
H15B0.84460.63450.56630.035*
C16B0.9001 (5)0.68764 (16)0.5862 (3)0.0333 (15)
H16B0.97150.68280.59120.040*
C17B0.8714 (5)0.72387 (16)0.5945 (3)0.0262 (13)
H17B0.92320.74330.60520.031*
C18B0.7661 (4)0.73080 (14)0.5868 (3)0.0190 (11)
H18B0.74660.75500.59280.023*
C19B0.6876 (4)0.70188 (14)0.5702 (3)0.0183 (11)
H19B0.61650.70680.56550.022*
C20B0.6949 (4)0.59094 (15)0.6106 (2)0.0172 (11)
C21B0.7132 (5)0.55357 (14)0.6023 (3)0.0232 (12)
H21B0.68620.54380.56090.028*
C22B0.7715 (5)0.53071 (16)0.6554 (3)0.0273 (14)
H22B0.78330.50560.64920.033*
C23B0.8123 (5)0.54455 (17)0.7169 (3)0.0295 (14)
H23B0.85140.52910.75250.035*
C24B0.7941 (5)0.58221 (17)0.7253 (3)0.0321 (15)
H24B0.82150.59190.76680.038*
C25B0.7365 (5)0.60513 (15)0.6732 (3)0.0272 (13)
H25B0.72500.63020.67960.033*
C26B0.0677 (4)0.59789 (14)0.3264 (2)0.0148 (10)
C27B0.1726 (4)0.60277 (16)0.2732 (3)0.0217 (12)
H27B0.20980.62560.26720.026*
C28B0.2215 (4)0.57395 (15)0.2294 (3)0.0218 (12)
H28B0.29160.57740.19420.026*
C29B0.1667 (5)0.54020 (16)0.2378 (3)0.0243 (13)
H29B0.19950.52100.20790.029*
C30B0.0630 (4)0.53481 (15)0.2905 (3)0.0220 (12)
H30B0.02640.51190.29650.026*
C31B0.0134 (4)0.56385 (14)0.3346 (3)0.0183 (11)
H31B0.05670.56030.36990.022*
C32B0.0570 (4)0.67746 (14)0.3375 (2)0.0171 (11)
C33B0.0476 (4)0.68106 (15)0.2808 (3)0.0191 (11)
H33B0.01940.66110.26710.023*
C34B0.0793 (4)0.71365 (14)0.2446 (3)0.0216 (12)
H34B0.07280.71550.20680.026*
C35B0.1208 (5)0.74337 (15)0.2649 (3)0.0269 (14)
H35B0.14250.76530.24060.032*
C36B0.1305 (5)0.74073 (15)0.3214 (3)0.0254 (13)
H36B0.15840.76090.33490.030*
C37B0.0985 (4)0.70808 (14)0.3577 (3)0.0213 (12)
H37B0.10470.70640.39570.026*
C38B0.1007 (4)0.63267 (14)0.4252 (3)0.0179 (11)
H38C0.08120.65290.45640.021*
H38D0.17690.63700.39210.021*
C39B0.0973 (4)0.59617 (13)0.4590 (2)0.0137 (10)
C40B0.0375 (4)0.59257 (14)0.5254 (3)0.0205 (12)
H40B0.00640.61250.54990.025*
C41B0.0420 (5)0.55975 (15)0.5562 (3)0.0257 (13)
H41B0.00150.55800.60090.031*
C42B0.1057 (5)0.52972 (16)0.5211 (3)0.0296 (14)
H42B0.10840.50780.54200.036*
C43B0.1655 (5)0.53243 (15)0.4546 (3)0.0281 (14)
H43B0.20900.51230.43060.034*
C44B0.1606 (4)0.56521 (15)0.4236 (3)0.0231 (12)
H44B0.19970.56660.37870.028*
C45B0.4183 (4)0.68217 (15)0.4670 (3)0.0171 (11)
C46B0.4380 (4)0.67100 (15)0.5898 (3)0.0194 (12)
C47B0.4260 (4)0.59422 (16)0.5656 (3)0.0207 (12)
C48B0.3413 (4)0.55982 (15)0.4451 (3)0.0205 (12)
C49B0.2097 (4)0.57950 (14)0.3192 (3)0.0196 (12)
C50B0.2496 (4)0.65152 (15)0.3488 (3)0.0169 (11)
C51B0.1914 (4)0.68920 (15)0.4352 (3)0.0174 (11)
C52B0.1674 (4)0.65675 (14)0.5298 (3)0.0167 (11)
C53B0.1895 (4)0.58647 (15)0.4877 (2)0.0167 (11)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru1A0.01086 (18)0.0139 (2)0.0140 (2)0.00043 (15)0.00720 (16)0.00093 (16)
Ru2A0.01012 (18)0.0146 (2)0.0134 (2)0.00005 (15)0.00555 (16)0.00049 (16)
Ru3A0.00996 (17)0.01185 (19)0.0137 (2)0.00005 (15)0.00659 (16)0.00070 (16)
As1A0.0117 (2)0.0154 (3)0.0143 (3)0.00028 (19)0.0076 (2)0.0005 (2)
As2A0.0106 (2)0.0142 (3)0.0142 (3)0.00051 (19)0.0059 (2)0.0009 (2)
P1A0.0112 (6)0.0133 (6)0.0154 (7)0.0002 (5)0.0062 (5)0.0008 (5)
O1A0.038 (2)0.022 (2)0.036 (3)0.0070 (18)0.028 (2)0.0072 (18)
O2A0.031 (2)0.038 (2)0.026 (2)0.0107 (19)0.016 (2)0.0140 (19)
O3A0.023 (2)0.020 (2)0.025 (2)0.0014 (16)0.0112 (18)0.0045 (17)
O4A0.023 (2)0.023 (2)0.021 (2)0.0037 (16)0.0071 (17)0.0047 (17)
O5A0.030 (2)0.039 (2)0.021 (2)0.0047 (19)0.0100 (19)0.0093 (19)
O6A0.021 (2)0.028 (2)0.030 (2)0.0028 (17)0.0085 (18)0.0119 (19)
O7A0.0189 (18)0.0174 (19)0.023 (2)0.0007 (15)0.0141 (17)0.0001 (16)
O8A0.034 (2)0.023 (2)0.032 (2)0.0047 (17)0.024 (2)0.0072 (18)
O9A0.026 (2)0.0147 (19)0.029 (2)0.0000 (16)0.0147 (18)0.0019 (16)
C1A0.018 (2)0.015 (3)0.015 (3)0.003 (2)0.006 (2)0.005 (2)
C2A0.019 (3)0.018 (3)0.018 (3)0.005 (2)0.011 (2)0.001 (2)
C3A0.029 (3)0.015 (3)0.020 (3)0.004 (2)0.013 (2)0.004 (2)
C4A0.024 (3)0.027 (3)0.016 (3)0.005 (2)0.009 (2)0.005 (2)
C5A0.020 (3)0.035 (3)0.022 (3)0.002 (2)0.015 (2)0.005 (3)
C6A0.014 (3)0.032 (3)0.024 (3)0.000 (2)0.010 (2)0.003 (3)
C7A0.012 (2)0.016 (3)0.026 (3)0.001 (2)0.011 (2)0.001 (2)
C8A0.018 (3)0.018 (3)0.026 (3)0.001 (2)0.011 (2)0.000 (2)
C9A0.032 (3)0.032 (3)0.028 (3)0.006 (3)0.020 (3)0.004 (3)
C10A0.038 (3)0.021 (3)0.039 (4)0.003 (3)0.029 (3)0.006 (3)
C11A0.031 (3)0.022 (3)0.036 (4)0.009 (2)0.023 (3)0.003 (3)
C12A0.022 (3)0.022 (3)0.023 (3)0.001 (2)0.013 (2)0.003 (2)
C13A0.014 (2)0.012 (2)0.017 (3)0.0021 (19)0.005 (2)0.001 (2)
C14A0.012 (2)0.019 (3)0.018 (3)0.002 (2)0.006 (2)0.000 (2)
C15A0.015 (2)0.017 (3)0.015 (3)0.002 (2)0.008 (2)0.002 (2)
C16A0.019 (3)0.015 (3)0.020 (3)0.002 (2)0.007 (2)0.001 (2)
C17A0.022 (3)0.022 (3)0.023 (3)0.007 (2)0.011 (2)0.002 (2)
C18A0.024 (3)0.027 (3)0.044 (4)0.005 (2)0.026 (3)0.007 (3)
C19A0.018 (3)0.016 (3)0.049 (4)0.001 (2)0.021 (3)0.005 (3)
C20A0.012 (2)0.020 (3)0.017 (3)0.003 (2)0.005 (2)0.003 (2)
C21A0.023 (3)0.026 (3)0.014 (3)0.005 (2)0.005 (2)0.006 (2)
C22A0.031 (3)0.021 (3)0.030 (4)0.009 (2)0.007 (3)0.004 (3)
C23A0.024 (3)0.038 (4)0.019 (3)0.003 (3)0.004 (3)0.008 (3)
C24A0.023 (3)0.037 (3)0.021 (3)0.004 (3)0.010 (3)0.003 (3)
C25A0.022 (3)0.032 (3)0.020 (3)0.001 (2)0.011 (2)0.001 (3)
C26A0.016 (2)0.015 (2)0.015 (3)0.0058 (19)0.011 (2)0.002 (2)
C27A0.015 (2)0.026 (3)0.020 (3)0.003 (2)0.010 (2)0.001 (2)
C28A0.019 (3)0.026 (3)0.021 (3)0.007 (2)0.006 (2)0.003 (2)
C29A0.025 (3)0.023 (3)0.021 (3)0.010 (2)0.014 (2)0.006 (2)
C30A0.025 (3)0.014 (3)0.028 (3)0.004 (2)0.014 (3)0.005 (2)
C31A0.016 (2)0.018 (3)0.016 (3)0.006 (2)0.008 (2)0.002 (2)
C32A0.011 (2)0.014 (3)0.022 (3)0.0026 (19)0.006 (2)0.003 (2)
C33A0.025 (3)0.017 (3)0.029 (3)0.003 (2)0.014 (3)0.002 (2)
C34A0.030 (3)0.019 (3)0.037 (4)0.006 (2)0.014 (3)0.000 (3)
C35A0.027 (3)0.019 (3)0.030 (3)0.002 (2)0.005 (3)0.011 (3)
C36A0.025 (3)0.022 (3)0.018 (3)0.003 (2)0.007 (2)0.005 (2)
C37A0.019 (3)0.018 (3)0.024 (3)0.000 (2)0.009 (2)0.002 (2)
C38A0.012 (2)0.017 (3)0.021 (3)0.0002 (19)0.006 (2)0.001 (2)
C39A0.015 (2)0.022 (3)0.022 (3)0.001 (2)0.014 (2)0.000 (2)
C40A0.019 (3)0.027 (3)0.021 (3)0.008 (2)0.011 (2)0.001 (2)
C41A0.029 (3)0.020 (3)0.040 (4)0.005 (2)0.024 (3)0.002 (3)
C42A0.029 (3)0.030 (3)0.030 (3)0.001 (3)0.021 (3)0.008 (3)
C43A0.028 (3)0.038 (4)0.023 (3)0.004 (3)0.020 (3)0.004 (3)
C44A0.013 (2)0.027 (3)0.023 (3)0.001 (2)0.011 (2)0.002 (2)
C45A0.020 (3)0.022 (3)0.025 (3)0.001 (2)0.019 (2)0.005 (2)
C46A0.022 (3)0.022 (3)0.019 (3)0.001 (2)0.017 (2)0.001 (2)
C47A0.014 (2)0.023 (3)0.015 (3)0.003 (2)0.007 (2)0.004 (2)
C48A0.009 (2)0.028 (3)0.015 (3)0.000 (2)0.001 (2)0.005 (2)
C49A0.010 (2)0.026 (3)0.022 (3)0.000 (2)0.005 (2)0.001 (2)
C50A0.012 (2)0.022 (3)0.023 (3)0.002 (2)0.006 (2)0.003 (2)
C51A0.011 (2)0.020 (3)0.012 (3)0.001 (2)0.007 (2)0.003 (2)
C52A0.017 (2)0.011 (2)0.018 (3)0.0007 (19)0.007 (2)0.001 (2)
C53A0.011 (2)0.026 (3)0.014 (3)0.003 (2)0.008 (2)0.003 (2)
Ru1B0.01150 (18)0.0155 (2)0.0125 (2)0.00016 (16)0.00559 (16)0.00002 (17)
Ru2B0.01322 (19)0.0133 (2)0.0143 (2)0.00050 (15)0.00783 (17)0.00109 (16)
Ru3B0.01116 (18)0.01171 (19)0.0140 (2)0.00040 (15)0.00686 (16)0.00116 (16)
As1B0.0138 (2)0.0140 (3)0.0142 (3)0.0007 (2)0.0078 (2)0.0001 (2)
As2B0.0118 (2)0.0154 (3)0.0140 (3)0.00046 (19)0.0059 (2)0.0000 (2)
P1B0.0123 (6)0.0131 (6)0.0159 (7)0.0003 (5)0.0071 (5)0.0006 (5)
O1B0.021 (2)0.020 (2)0.024 (2)0.0029 (16)0.0076 (17)0.0048 (17)
O2B0.040 (3)0.036 (2)0.026 (2)0.005 (2)0.019 (2)0.011 (2)
O3B0.026 (2)0.027 (2)0.033 (2)0.0011 (17)0.0131 (19)0.0128 (19)
O4B0.061 (3)0.018 (2)0.034 (3)0.007 (2)0.031 (2)0.0053 (19)
O5B0.024 (2)0.037 (2)0.026 (2)0.0103 (18)0.0122 (19)0.0140 (19)
O6B0.022 (2)0.0193 (19)0.023 (2)0.0029 (16)0.0128 (17)0.0023 (17)
O7B0.025 (2)0.016 (2)0.034 (2)0.0003 (16)0.0175 (19)0.0019 (17)
O8B0.036 (2)0.024 (2)0.025 (2)0.0056 (18)0.0203 (19)0.0099 (18)
O9B0.025 (2)0.0172 (19)0.022 (2)0.0045 (16)0.0111 (17)0.0009 (16)
C1B0.017 (2)0.016 (3)0.012 (3)0.001 (2)0.006 (2)0.003 (2)
C2B0.023 (3)0.021 (3)0.021 (3)0.003 (2)0.015 (2)0.002 (2)
C3B0.026 (3)0.012 (3)0.022 (3)0.002 (2)0.011 (2)0.002 (2)
C4B0.023 (3)0.025 (3)0.020 (3)0.005 (2)0.011 (2)0.004 (2)
C5B0.022 (3)0.032 (3)0.022 (3)0.000 (2)0.017 (3)0.006 (2)
C6B0.019 (3)0.017 (3)0.022 (3)0.002 (2)0.012 (2)0.000 (2)
C7B0.017 (2)0.017 (3)0.017 (3)0.002 (2)0.015 (2)0.000 (2)
C8B0.018 (3)0.022 (3)0.025 (3)0.001 (2)0.010 (2)0.000 (2)
C9B0.031 (3)0.022 (3)0.025 (3)0.006 (2)0.016 (3)0.005 (2)
C10B0.042 (4)0.020 (3)0.040 (4)0.000 (3)0.035 (3)0.004 (3)
C11B0.039 (4)0.020 (3)0.041 (4)0.008 (3)0.027 (3)0.007 (3)
C12B0.020 (3)0.023 (3)0.019 (3)0.006 (2)0.011 (2)0.002 (2)
C13B0.016 (2)0.014 (2)0.014 (3)0.006 (2)0.005 (2)0.000 (2)
C14B0.017 (2)0.016 (3)0.013 (3)0.005 (2)0.010 (2)0.002 (2)
C15B0.018 (3)0.031 (3)0.040 (4)0.003 (2)0.016 (3)0.010 (3)
C16B0.015 (3)0.029 (3)0.057 (4)0.005 (2)0.018 (3)0.012 (3)
C17B0.024 (3)0.028 (3)0.030 (3)0.008 (2)0.016 (3)0.006 (3)
C18B0.020 (3)0.016 (3)0.021 (3)0.004 (2)0.010 (2)0.000 (2)
C19B0.017 (3)0.018 (3)0.021 (3)0.003 (2)0.009 (2)0.001 (2)
C20B0.008 (2)0.027 (3)0.016 (3)0.002 (2)0.005 (2)0.004 (2)
C21B0.029 (3)0.018 (3)0.021 (3)0.002 (2)0.010 (3)0.003 (2)
C22B0.028 (3)0.021 (3)0.029 (3)0.001 (2)0.010 (3)0.010 (3)
C23B0.021 (3)0.035 (4)0.024 (3)0.004 (3)0.002 (3)0.014 (3)
C24B0.037 (4)0.042 (4)0.010 (3)0.006 (3)0.004 (3)0.004 (3)
C25B0.037 (3)0.018 (3)0.024 (3)0.002 (2)0.012 (3)0.001 (2)
C26B0.015 (2)0.020 (3)0.011 (2)0.003 (2)0.008 (2)0.000 (2)
C27B0.016 (3)0.028 (3)0.021 (3)0.005 (2)0.008 (2)0.001 (2)
C28B0.020 (3)0.033 (3)0.014 (3)0.010 (2)0.008 (2)0.003 (2)
C29B0.029 (3)0.029 (3)0.018 (3)0.014 (2)0.014 (3)0.012 (2)
C30B0.024 (3)0.020 (3)0.027 (3)0.003 (2)0.016 (3)0.009 (2)
C31B0.015 (2)0.025 (3)0.017 (3)0.004 (2)0.010 (2)0.003 (2)
C32B0.011 (2)0.019 (3)0.015 (3)0.003 (2)0.000 (2)0.001 (2)
C33B0.014 (2)0.021 (3)0.021 (3)0.003 (2)0.007 (2)0.001 (2)
C34B0.021 (3)0.022 (3)0.019 (3)0.006 (2)0.007 (2)0.004 (2)
C35B0.026 (3)0.016 (3)0.030 (3)0.001 (2)0.006 (3)0.007 (2)
C36B0.032 (3)0.019 (3)0.025 (3)0.003 (2)0.014 (3)0.001 (2)
C37B0.024 (3)0.019 (3)0.021 (3)0.002 (2)0.011 (2)0.001 (2)
C38B0.017 (2)0.017 (3)0.027 (3)0.000 (2)0.016 (2)0.002 (2)
C39B0.012 (2)0.012 (2)0.022 (3)0.0024 (19)0.012 (2)0.003 (2)
C40B0.020 (3)0.015 (3)0.032 (3)0.005 (2)0.017 (3)0.001 (2)
C41B0.031 (3)0.028 (3)0.022 (3)0.001 (3)0.017 (3)0.002 (3)
C42B0.042 (4)0.018 (3)0.035 (4)0.005 (3)0.023 (3)0.000 (3)
C43B0.037 (3)0.016 (3)0.037 (4)0.011 (2)0.022 (3)0.007 (3)
C44B0.020 (3)0.027 (3)0.027 (3)0.003 (2)0.014 (3)0.003 (3)
C45B0.009 (2)0.025 (3)0.016 (3)0.001 (2)0.005 (2)0.005 (2)
C46B0.016 (3)0.022 (3)0.020 (3)0.002 (2)0.009 (2)0.001 (2)
C47B0.012 (2)0.030 (3)0.022 (3)0.001 (2)0.010 (2)0.001 (3)
C48B0.025 (3)0.022 (3)0.020 (3)0.004 (2)0.016 (2)0.004 (2)
C49B0.019 (3)0.019 (3)0.026 (3)0.003 (2)0.015 (2)0.004 (2)
C50B0.016 (2)0.021 (3)0.016 (3)0.003 (2)0.010 (2)0.006 (2)
C51B0.014 (2)0.019 (3)0.021 (3)0.001 (2)0.010 (2)0.001 (2)
C52B0.012 (2)0.015 (3)0.020 (3)0.0051 (19)0.006 (2)0.005 (2)
C53B0.013 (2)0.026 (3)0.014 (3)0.005 (2)0.008 (2)0.008 (2)
Geometric parameters (Å, º) top
Ru1A—C46A1.878 (6)Ru1B—C46B1.886 (6)
Ru1A—C47A1.926 (5)Ru1B—C45B1.929 (6)
Ru1A—C45A1.930 (6)Ru1B—C47B1.937 (6)
Ru1A—As1A2.4240 (6)Ru1B—As2B2.4271 (6)
Ru1A—Ru2A2.8679 (6)Ru1B—Ru3B2.8331 (5)
Ru1A—Ru3A2.8855 (6)Ru1B—Ru2B2.8558 (6)
Ru2A—C49A1.905 (6)Ru2B—C49B1.893 (6)
Ru2A—C48A1.924 (6)Ru2B—C50B1.912 (5)
Ru2A—C50A1.928 (6)Ru2B—C48B1.924 (6)
Ru2A—As2A2.4261 (6)Ru2B—As1B2.4308 (6)
Ru2A—Ru3A2.8395 (5)Ru2B—Ru3B2.8970 (6)
Ru3A—C52A1.880 (6)Ru3B—C52B1.869 (6)
Ru3A—C51A1.931 (5)Ru3B—C53B1.927 (5)
Ru3A—C53A1.948 (5)Ru3B—C51B1.937 (5)
Ru3A—P1A2.3414 (13)Ru3B—P1B2.3374 (13)
As1A—C7A1.945 (5)As1B—C7B1.935 (5)
As1A—C1A1.953 (5)As1B—C1B1.949 (5)
As1A—C13A1.962 (5)As1B—C13B1.956 (5)
As2A—C20A1.935 (5)As2B—C14B1.942 (5)
As2A—C14A1.938 (5)As2B—C20B1.947 (5)
As2A—C13A1.952 (5)As2B—C13B1.962 (5)
P1A—C32A1.824 (5)P1B—C32B1.828 (5)
P1A—C26A1.825 (5)P1B—C26B1.833 (5)
P1A—C38A1.854 (5)P1B—C38B1.855 (5)
O1A—C45A1.148 (6)O1B—C45B1.147 (6)
O2A—C46A1.155 (6)O2B—C46B1.147 (6)
O3A—C47A1.149 (6)O3B—C47B1.146 (6)
O4A—C48A1.153 (6)O4B—C48B1.155 (6)
O5A—C49A1.136 (6)O5B—C49B1.147 (6)
O6A—C50A1.146 (6)O6B—C50B1.160 (6)
O7A—C51A1.147 (6)O7B—C51B1.146 (6)
O8A—C52A1.146 (6)O8B—C52B1.148 (6)
O9A—C53A1.142 (6)O9B—C53B1.153 (6)
C1A—C2A1.387 (7)C1B—C6B1.391 (7)
C1A—C6A1.396 (7)C1B—C2B1.396 (7)
C2A—C3A1.381 (7)C2B—C3B1.374 (7)
C2A—H10.9300C2B—H80.9300
C3A—C4A1.381 (7)C3B—C4B1.393 (7)
C3A—H20.9300C3B—H90.9300
C4A—C5A1.372 (8)C4B—C5B1.378 (7)
C4A—H30.9300C4B—H100.9300
C5A—C6A1.380 (7)C5B—C6B1.391 (7)
C5A—H40.9300C5B—H110.9300
C6A—H50.9300C6B—H120.9300
C7A—C8A1.394 (7)C7B—C8B1.390 (7)
C7A—C12A1.399 (7)C7B—C12B1.391 (7)
C8A—C9A1.378 (7)C8B—C9B1.381 (7)
C8A—H60.9300C8B—H130.9300
C9A—C10A1.387 (8)C9B—C10B1.398 (8)
C9A—H70.9300C9B—H140.9300
C10A—C11A1.377 (8)C10B—C11B1.384 (8)
C10A—H10A0.9300C10B—H10B0.9300
C11A—C12A1.384 (7)C11B—C12B1.391 (7)
C11A—H11A0.9300C11B—H11B0.9300
C12A—H12A0.9300C12B—H12B0.9300
C13A—H13A0.9700C13B—H13C0.9700
C13A—H13B0.9700C13B—H13D0.9700
C14A—C19A1.384 (7)C14B—C19B1.375 (7)
C14A—C15A1.390 (7)C14B—C15B1.391 (7)
C15A—C16A1.380 (7)C15B—C16B1.376 (7)
C15A—H15A0.9300C15B—H15B0.9300
C16A—C17A1.387 (7)C16B—C17B1.386 (8)
C16A—H16A0.9300C16B—H16B0.9300
C17A—C18A1.381 (7)C17B—C18B1.369 (7)
C17A—H17A0.9300C17B—H17B0.9300
C18A—C19A1.381 (7)C18B—C19B1.396 (7)
C18A—H18A0.9300C18B—H18B0.9300
C19A—H19A0.9300C19B—H19B0.9300
C20A—C21A1.376 (7)C20B—C21B1.383 (7)
C20A—C25A1.396 (7)C20B—C25B1.396 (7)
C21A—C22A1.405 (7)C21B—C22B1.383 (7)
C21A—H21A0.9300C21B—H21B0.9300
C22A—C23A1.362 (8)C22B—C23B1.371 (8)
C22A—H22A0.9300C22B—H22B0.9300
C23A—C24A1.384 (8)C23B—C24B1.393 (8)
C23A—H23A0.9300C23B—H23B0.9300
C24A—C25A1.380 (8)C24B—C25B1.368 (8)
C24A—H24A0.9300C24B—H24B0.9300
C25A—H25A0.9300C25B—H25B0.9300
C26A—C31A1.398 (7)C26B—C31B1.382 (7)
C26A—C27A1.401 (7)C26B—C27B1.395 (7)
C27A—C28A1.380 (7)C27B—C28B1.381 (7)
C27A—H27A0.9300C27B—H27B0.9300
C28A—C29A1.378 (7)C28B—C29B1.376 (8)
C28A—H28A0.9300C28B—H28B0.9300
C29A—C30A1.387 (7)C29B—C30B1.384 (7)
C29A—H29A0.9300C29B—H29B0.9300
C30A—C31A1.383 (7)C30B—C31B1.392 (7)
C30A—H30A0.9300C30B—H30B0.9300
C31A—H31A0.9300C31B—H31B0.9300
C32A—C37A1.390 (7)C32B—C33B1.391 (7)
C32A—C33A1.393 (7)C32B—C37B1.403 (7)
C33A—C34A1.378 (7)C33B—C34B1.382 (7)
C33A—H33A0.9300C33B—H33B0.9300
C34A—C35A1.382 (8)C34B—C35B1.380 (8)
C34A—H34A0.9300C34B—H34B0.9300
C35A—C36A1.392 (8)C35B—C36B1.387 (8)
C35A—H35A0.9300C35B—H35B0.9300
C36A—C37A1.379 (7)C36B—C37B1.384 (7)
C36A—H36A0.9300C36B—H36B0.9300
C37A—H37A0.9300C37B—H37B0.9300
C38A—C39A1.514 (7)C38B—C39B1.510 (7)
C38A—H38A0.9700C38B—H38C0.9700
C38A—H38B0.9700C38B—H38D0.9700
C39A—C44A1.399 (7)C39B—C40B1.383 (7)
C39A—C40A1.401 (7)C39B—C44B1.404 (7)
C40A—C41A1.383 (7)C40B—C41B1.387 (7)
C40A—H40A0.9300C40B—H40B0.9300
C41A—C42A1.380 (8)C41B—C42B1.378 (8)
C41A—H41A0.9300C41B—H41B0.9300
C42A—C43A1.372 (8)C42B—C43B1.383 (8)
C42A—H42A0.9300C42B—H42B0.9300
C43A—C44A1.393 (7)C43B—C44B1.391 (7)
C43A—H43A0.9300C43B—H43B0.9300
C44A—H44A0.9300C44B—H44B0.9300
C46A—Ru1A—C47A87.6 (2)C46B—Ru1B—C45B93.7 (2)
C46A—Ru1A—C45A92.6 (2)C46B—Ru1B—C47B93.3 (2)
C47A—Ru1A—C45A172.7 (2)C45B—Ru1B—C47B172.8 (2)
C46A—Ru1A—As1A98.57 (16)C46B—Ru1B—As2B105.38 (16)
C47A—Ru1A—As1A94.04 (15)C45B—Ru1B—As2B89.77 (14)
C45A—Ru1A—As1A93.12 (15)C47B—Ru1B—As2B86.61 (15)
C46A—Ru1A—Ru2A170.58 (16)C46B—Ru1B—Ru3B96.06 (15)
C47A—Ru1A—Ru2A95.09 (15)C45B—Ru1B—Ru3B91.56 (14)
C45A—Ru1A—Ru2A83.59 (16)C47B—Ru1B—Ru3B89.53 (15)
As1A—Ru1A—Ru2A90.257 (19)As2B—Ru1B—Ru3B158.39 (2)
C46A—Ru1A—Ru3A112.48 (16)C46B—Ru1B—Ru2B156.29 (15)
C47A—Ru1A—Ru3A82.32 (15)C45B—Ru1B—Ru2B81.09 (15)
C45A—Ru1A—Ru3A90.89 (15)C47B—Ru1B—Ru2B93.21 (16)
As1A—Ru1A—Ru3A148.47 (2)As2B—Ru1B—Ru2B97.74 (2)
Ru2A—Ru1A—Ru3A59.145 (13)Ru3B—Ru1B—Ru2B61.225 (14)
C49A—Ru2A—C48A93.1 (2)C49B—Ru2B—C50B88.1 (2)
C49A—Ru2A—C50A91.9 (2)C49B—Ru2B—C48B91.2 (2)
C48A—Ru2A—C50A174.9 (2)C50B—Ru2B—C48B172.7 (2)
C49A—Ru2A—As2A104.90 (15)C49B—Ru2B—As1B99.08 (16)
C48A—Ru2A—As2A90.66 (15)C50B—Ru2B—As1B94.01 (15)
C50A—Ru2A—As2A88.01 (15)C48B—Ru2B—As1B93.29 (16)
C49A—Ru2A—Ru3A98.08 (15)C49B—Ru2B—Ru1B170.15 (16)
C48A—Ru2A—Ru3A93.17 (15)C50B—Ru2B—Ru1B95.78 (15)
C50A—Ru2A—Ru3A86.14 (15)C48B—Ru2B—Ru1B83.77 (16)
As2A—Ru2A—Ru3A156.46 (2)As1B—Ru2B—Ru1B89.711 (19)
C49A—Ru2A—Ru1A157.34 (15)C49B—Ru2B—Ru3B113.21 (16)
C48A—Ru2A—Ru1A81.00 (15)C50B—Ru2B—Ru3B78.84 (15)
C50A—Ru2A—Ru1A94.32 (16)C48B—Ru2B—Ru3B94.76 (16)
As2A—Ru2A—Ru1A97.08 (2)As1B—Ru2B—Ru3B146.46 (2)
Ru3A—Ru2A—Ru1A60.736 (14)Ru1B—Ru2B—Ru3B59.003 (14)
C52A—Ru3A—C51A90.4 (2)C52B—Ru3B—C53B93.0 (2)
C52A—Ru3A—C53A89.8 (2)C52B—Ru3B—C51B87.9 (2)
C51A—Ru3A—C53A176.3 (2)C53B—Ru3B—C51B175.2 (2)
C52A—Ru3A—P1A99.80 (15)C52B—Ru3B—P1B96.66 (15)
C51A—Ru3A—P1A93.01 (14)C53B—Ru3B—P1B93.83 (15)
C53A—Ru3A—P1A90.56 (15)C51B—Ru3B—P1B90.74 (15)
C52A—Ru3A—Ru2A95.69 (15)C52B—Ru3B—Ru1B96.81 (15)
C51A—Ru3A—Ru2A92.53 (14)C53B—Ru3B—Ru1B90.14 (14)
C53A—Ru3A—Ru2A83.81 (14)C51B—Ru3B—Ru1B85.09 (15)
P1A—Ru3A—Ru2A163.50 (4)P1B—Ru3B—Ru1B165.73 (4)
C52A—Ru3A—Ru1A155.00 (15)C52B—Ru3B—Ru2B155.75 (15)
C51A—Ru3A—Ru1A84.96 (14)C53B—Ru3B—Ru2B81.65 (15)
C53A—Ru3A—Ru1A93.33 (15)C51B—Ru3B—Ru2B95.63 (15)
P1A—Ru3A—Ru1A104.95 (4)P1B—Ru3B—Ru2B107.25 (4)
Ru2A—Ru3A—Ru1A60.119 (14)Ru1B—Ru3B—Ru2B59.772 (14)
C7A—As1A—C1A101.7 (2)C7B—As1B—C1B101.7 (2)
C7A—As1A—C13A104.6 (2)C7B—As1B—C13B103.7 (2)
C1A—As1A—C13A97.5 (2)C1B—As1B—C13B98.9 (2)
C7A—As1A—Ru1A117.66 (14)C7B—As1B—Ru2B117.40 (14)
C1A—As1A—Ru1A117.37 (15)C1B—As1B—Ru2B116.30 (15)
C13A—As1A—Ru1A115.14 (15)C13B—As1B—Ru2B116.16 (15)
C20A—As2A—C14A98.3 (2)C14B—As2B—C20B100.2 (2)
C20A—As2A—C13A102.1 (2)C14B—As2B—C13B104.0 (2)
C14A—As2A—C13A103.2 (2)C20B—As2B—C13B102.1 (2)
C20A—As2A—Ru2A116.95 (15)C14B—As2B—Ru1B118.05 (15)
C14A—As2A—Ru2A120.04 (15)C20B—As2B—Ru1B117.07 (15)
C13A—As2A—Ru2A113.48 (14)C13B—As2B—Ru1B113.18 (14)
C32A—P1A—C26A103.3 (2)C32B—P1B—C26B101.9 (2)
C32A—P1A—C38A102.4 (2)C32B—P1B—C38B102.1 (2)
C26A—P1A—C38A100.1 (2)C26B—P1B—C38B100.2 (2)
C32A—P1A—Ru3A113.06 (16)C32B—P1B—Ru3B112.77 (16)
C26A—P1A—Ru3A120.81 (17)C26B—P1B—Ru3B122.61 (17)
C38A—P1A—Ru3A114.80 (17)C38B—P1B—Ru3B114.57 (18)
C2A—C1A—C6A118.6 (5)C6B—C1B—C2B119.0 (5)
C2A—C1A—As1A118.4 (4)C6B—C1B—As1B122.5 (4)
C6A—C1A—As1A122.9 (4)C2B—C1B—As1B118.5 (4)
C3A—C2A—C1A121.4 (5)C3B—C2B—C1B120.9 (5)
C3A—C2A—H1119.3C3B—C2B—H8119.5
C1A—C2A—H1119.3C1B—C2B—H8119.5
C4A—C3A—C2A119.2 (5)C2B—C3B—C4B120.1 (5)
C4A—C3A—H2120.4C2B—C3B—H9119.9
C2A—C3A—H2120.4C4B—C3B—H9119.9
C5A—C4A—C3A120.2 (5)C5B—C4B—C3B119.2 (5)
C5A—C4A—H3119.9C5B—C4B—H10120.4
C3A—C4A—H3119.9C3B—C4B—H10120.4
C4A—C5A—C6A120.8 (5)C4B—C5B—C6B121.0 (5)
C4A—C5A—H4119.6C4B—C5B—H11119.5
C6A—C5A—H4119.6C6B—C5B—H11119.5
C5A—C6A—C1A119.8 (5)C5B—C6B—C1B119.7 (5)
C5A—C6A—H5120.1C5B—C6B—H12120.1
C1A—C6A—H5120.1C1B—C6B—H12120.1
C8A—C7A—C12A120.0 (5)C8B—C7B—C12B119.2 (5)
C8A—C7A—As1A117.6 (4)C8B—C7B—As1B117.9 (4)
C12A—C7A—As1A122.4 (4)C12B—C7B—As1B122.9 (4)
C9A—C8A—C7A119.9 (5)C9B—C8B—C7B121.2 (5)
C9A—C8A—H6120.0C9B—C8B—H13119.4
C7A—C8A—H6120.0C7B—C8B—H13119.4
C8A—C9A—C10A120.0 (6)C8B—C9B—C10B119.3 (5)
C8A—C9A—H7120.0C8B—C9B—H14120.4
C10A—C9A—H7120.0C10B—C9B—H14120.4
C11A—C10A—C9A120.2 (5)C11B—C10B—C9B120.1 (5)
C11A—C10A—H10A119.9C11B—C10B—H10B120.0
C9A—C10A—H10A119.9C9B—C10B—H10B120.0
C10A—C11A—C12A120.7 (5)C10B—C11B—C12B120.2 (5)
C10A—C11A—H11A119.6C10B—C11B—H11B119.9
C12A—C11A—H11A119.6C12B—C11B—H11B119.9
C11A—C12A—C7A119.1 (5)C11B—C12B—C7B120.1 (5)
C11A—C12A—H12A120.4C11B—C12B—H12B120.0
C7A—C12A—H12A120.4C7B—C12B—H12B120.0
As2A—C13A—As1A112.3 (2)As1B—C13B—As2B112.6 (2)
As2A—C13A—H13A109.1As1B—C13B—H13C109.1
As1A—C13A—H13A109.1As2B—C13B—H13C109.1
As2A—C13A—H13B109.1As1B—C13B—H13D109.1
As1A—C13A—H13B109.1As2B—C13B—H13D109.1
H13A—C13A—H13B107.9H13C—C13B—H13D107.8
C19A—C14A—C15A119.5 (5)C19B—C14B—C15B119.6 (5)
C19A—C14A—As2A119.9 (4)C19B—C14B—As2B120.5 (4)
C15A—C14A—As2A120.5 (4)C15B—C14B—As2B119.8 (4)
C16A—C15A—C14A120.1 (5)C16B—C15B—C14B120.0 (5)
C16A—C15A—H15A120.0C16B—C15B—H15B120.0
C14A—C15A—H15A120.0C14B—C15B—H15B120.0
C15A—C16A—C17A120.0 (5)C15B—C16B—C17B120.6 (5)
C15A—C16A—H16A120.0C15B—C16B—H16B119.7
C17A—C16A—H16A120.0C17B—C16B—H16B119.7
C18A—C17A—C16A120.0 (5)C18B—C17B—C16B119.3 (5)
C18A—C17A—H17A120.0C18B—C17B—H17B120.3
C16A—C17A—H17A120.0C16B—C17B—H17B120.3
C19A—C18A—C17A119.9 (5)C17B—C18B—C19B120.6 (5)
C19A—C18A—H18A120.0C17B—C18B—H18B119.7
C17A—C18A—H18A120.0C19B—C18B—H18B119.7
C18A—C19A—C14A120.5 (5)C14B—C19B—C18B119.8 (5)
C18A—C19A—H19A119.8C14B—C19B—H19B120.1
C14A—C19A—H19A119.8C18B—C19B—H19B120.1
C21A—C20A—C25A119.1 (5)C21B—C20B—C25B118.9 (5)
C21A—C20A—As2A124.1 (4)C21B—C20B—As2B123.9 (4)
C25A—C20A—As2A116.6 (4)C25B—C20B—As2B117.2 (4)
C20A—C21A—C22A119.9 (5)C22B—C21B—C20B120.4 (5)
C20A—C21A—H21A120.0C22B—C21B—H21B119.8
C22A—C21A—H21A120.0C20B—C21B—H21B119.8
C23A—C22A—C21A120.6 (5)C23B—C22B—C21B120.9 (5)
C23A—C22A—H22A119.7C23B—C22B—H22B119.6
C21A—C22A—H22A119.7C21B—C22B—H22B119.6
C22A—C23A—C24A119.5 (5)C22B—C23B—C24B118.8 (5)
C22A—C23A—H23A120.2C22B—C23B—H23B120.6
C24A—C23A—H23A120.2C24B—C23B—H23B120.6
C25A—C24A—C23A120.5 (6)C25B—C24B—C23B120.9 (5)
C25A—C24A—H24A119.7C25B—C24B—H24B119.5
C23A—C24A—H24A119.7C23B—C24B—H24B119.5
C24A—C25A—C20A120.2 (5)C24B—C25B—C20B120.2 (5)
C24A—C25A—H25A119.9C24B—C25B—H25B119.9
C20A—C25A—H25A119.9C20B—C25B—H25B119.9
C31A—C26A—C27A117.5 (5)C31B—C26B—C27B119.1 (5)
C31A—C26A—P1A121.0 (4)C31B—C26B—P1B120.6 (4)
C27A—C26A—P1A121.1 (4)C27B—C26B—P1B120.2 (4)
C28A—C27A—C26A120.9 (5)C28B—C27B—C26B120.4 (5)
C28A—C27A—H27A119.6C28B—C27B—H27B119.8
C26A—C27A—H27A119.6C26B—C27B—H27B119.8
C29A—C28A—C27A120.6 (5)C29B—C28B—C27B120.2 (5)
C29A—C28A—H28A119.7C29B—C28B—H28B119.9
C27A—C28A—H28A119.7C27B—C28B—H28B119.9
C28A—C29A—C30A119.8 (5)C28B—C29B—C30B120.1 (5)
C28A—C29A—H29A120.1C28B—C29B—H29B119.9
C30A—C29A—H29A120.1C30B—C29B—H29B119.9
C31A—C30A—C29A119.5 (5)C29B—C30B—C31B119.8 (5)
C31A—C30A—H30A120.2C29B—C30B—H30B120.1
C29A—C30A—H30A120.2C31B—C30B—H30B120.1
C30A—C31A—C26A121.6 (5)C26B—C31B—C30B120.4 (5)
C30A—C31A—H31A119.2C26B—C31B—H31B119.8
C26A—C31A—H31A119.2C30B—C31B—H31B119.8
C37A—C32A—C33A118.0 (5)C33B—C32B—C37B118.3 (5)
C37A—C32A—P1A119.7 (4)C33B—C32B—P1B120.6 (4)
C33A—C32A—P1A121.9 (4)C37B—C32B—P1B121.0 (4)
C34A—C33A—C32A120.9 (6)C34B—C33B—C32B121.4 (5)
C34A—C33A—H33A119.6C34B—C33B—H33B119.3
C32A—C33A—H33A119.6C32B—C33B—H33B119.3
C33A—C34A—C35A120.3 (5)C35B—C34B—C33B119.5 (5)
C33A—C34A—H34A119.8C35B—C34B—H34B120.2
C35A—C34A—H34A119.8C33B—C34B—H34B120.2
C34A—C35A—C36A119.8 (5)C34B—C35B—C36B120.5 (5)
C34A—C35A—H35A120.1C34B—C35B—H35B119.8
C36A—C35A—H35A120.1C36B—C35B—H35B119.8
C37A—C36A—C35A119.3 (5)C37B—C36B—C35B119.9 (5)
C37A—C36A—H36A120.3C37B—C36B—H36B120.0
C35A—C36A—H36A120.3C35B—C36B—H36B120.0
C36A—C37A—C32A121.7 (5)C36B—C37B—C32B120.4 (5)
C36A—C37A—H37A119.2C36B—C37B—H37B119.8
C32A—C37A—H37A119.2C32B—C37B—H37B119.8
C39A—C38A—P1A113.5 (3)C39B—C38B—P1B115.4 (3)
C39A—C38A—H38A108.9C39B—C38B—H38C108.4
P1A—C38A—H38A108.9P1B—C38B—H38C108.4
C39A—C38A—H38B108.9C39B—C38B—H38D108.4
P1A—C38A—H38B108.9P1B—C38B—H38D108.4
H38A—C38A—H38B107.7H38C—C38B—H38D107.5
C44A—C39A—C40A118.1 (5)C40B—C39B—C44B117.9 (5)
C44A—C39A—C38A120.3 (5)C40B—C39B—C38B121.7 (4)
C40A—C39A—C38A121.6 (5)C44B—C39B—C38B120.3 (5)
C41A—C40A—C39A120.1 (5)C39B—C40B—C41B121.0 (5)
C41A—C40A—H40A119.9C39B—C40B—H40B119.5
C39A—C40A—H40A119.9C41B—C40B—H40B119.5
C42A—C41A—C40A121.1 (5)C42B—C41B—C40B120.7 (6)
C42A—C41A—H41A119.5C42B—C41B—H41B119.6
C40A—C41A—H41A119.5C40B—C41B—H41B119.6
C43A—C42A—C41A119.6 (5)C41B—C42B—C43B119.4 (5)
C43A—C42A—H42A120.2C41B—C42B—H42B120.3
C41A—C42A—H42A120.2C43B—C42B—H42B120.3
C42A—C43A—C44A120.2 (5)C42B—C43B—C44B120.0 (5)
C42A—C43A—H43A119.9C42B—C43B—H43B120.0
C44A—C43A—H43A119.9C44B—C43B—H43B120.0
C43A—C44A—C39A120.8 (5)C43B—C44B—C39B120.9 (5)
C43A—C44A—H44A119.6C43B—C44B—H44B119.5
C39A—C44A—H44A119.6C39B—C44B—H44B119.5
O1A—C45A—Ru1A173.1 (5)O1B—C45B—Ru1B174.1 (4)
O2A—C46A—Ru1A176.5 (5)O2B—C46B—Ru1B176.5 (5)
O3A—C47A—Ru1A171.6 (4)O3B—C47B—Ru1B173.1 (5)
O4A—C48A—Ru2A173.5 (4)O4B—C48B—Ru2B173.8 (5)
O5A—C49A—Ru2A176.2 (5)O5B—C49B—Ru2B177.5 (5)
O6A—C50A—Ru2A174.3 (4)O6B—C50B—Ru2B170.7 (4)
O7A—C51A—Ru3A173.4 (4)O7B—C51B—Ru3B172.4 (5)
O8A—C52A—Ru3A176.6 (5)O8B—C52B—Ru3B179.4 (5)
O9A—C53A—Ru3A173.3 (4)O9B—C53B—Ru3B173.2 (4)
C47A—Ru1A—Ru2A—C49A55.4 (4)C46B—Ru1B—Ru2B—C50B55.2 (4)
C45A—Ru1A—Ru2A—C49A117.4 (4)C45B—Ru1B—Ru2B—C50B23.5 (2)
As1A—Ru1A—Ru2A—C49A149.5 (4)C47B—Ru1B—Ru2B—C50B161.0 (2)
Ru3A—Ru1A—Ru2A—C49A22.5 (4)As2B—Ru1B—Ru2B—C50B112.02 (15)
C47A—Ru1A—Ru2A—C48A20.9 (2)Ru3B—Ru1B—Ru2B—C50B73.27 (15)
C45A—Ru1A—Ru2A—C48A166.3 (2)C46B—Ru1B—Ru2B—C48B117.4 (4)
As1A—Ru1A—Ru2A—C48A73.19 (15)C45B—Ru1B—Ru2B—C48B163.9 (2)
Ru3A—Ru1A—Ru2A—C48A98.80 (15)C47B—Ru1B—Ru2B—C48B11.7 (2)
C47A—Ru1A—Ru2A—C50A161.0 (2)As2B—Ru1B—Ru2B—C48B75.34 (16)
C45A—Ru1A—Ru2A—C50A11.8 (2)Ru3B—Ru1B—Ru2B—C48B99.38 (16)
As1A—Ru1A—Ru2A—C50A104.88 (15)C46B—Ru1B—Ru2B—As1B149.2 (4)
Ru3A—Ru1A—Ru2A—C50A83.13 (15)C45B—Ru1B—Ru2B—As1B70.53 (14)
C47A—Ru1A—Ru2A—As2A110.44 (15)C47B—Ru1B—Ru2B—As1B105.03 (15)
C45A—Ru1A—Ru2A—As2A76.75 (15)As2B—Ru1B—Ru2B—As1B18.01 (2)
As1A—Ru1A—Ru2A—As2A16.36 (2)Ru3B—Ru1B—Ru2B—As1B167.27 (2)
Ru3A—Ru1A—Ru2A—As2A171.65 (2)C46B—Ru1B—Ru2B—Ru3B18.0 (4)
C47A—Ru1A—Ru2A—Ru3A77.91 (15)C45B—Ru1B—Ru2B—Ru3B96.75 (14)
C45A—Ru1A—Ru2A—Ru3A94.90 (15)C47B—Ru1B—Ru2B—Ru3B87.70 (15)
As1A—Ru1A—Ru2A—Ru3A171.99 (2)As2B—Ru1B—Ru2B—Ru3B174.72 (2)
C49A—Ru2A—Ru3A—C52A15.2 (2)C46B—Ru1B—Ru3B—C52B13.9 (2)
C48A—Ru2A—Ru3A—C52A108.8 (2)C45B—Ru1B—Ru3B—C52B107.8 (2)
C50A—Ru2A—Ru3A—C52A76.2 (2)C47B—Ru1B—Ru3B—C52B79.4 (2)
As2A—Ru2A—Ru3A—C52A152.18 (16)As2B—Ru1B—Ru3B—C52B158.95 (16)
Ru1A—Ru2A—Ru3A—C52A173.33 (15)Ru2B—Ru1B—Ru3B—C52B173.30 (15)
C49A—Ru2A—Ru3A—C51A105.8 (2)C46B—Ru1B—Ru3B—C53B107.0 (2)
C48A—Ru2A—Ru3A—C51A160.6 (2)C45B—Ru1B—Ru3B—C53B159.2 (2)
C50A—Ru2A—Ru3A—C51A14.4 (2)C47B—Ru1B—Ru3B—C53B13.7 (2)
As2A—Ru2A—Ru3A—C51A61.56 (16)As2B—Ru1B—Ru3B—C53B65.89 (16)
Ru1A—Ru2A—Ru3A—C51A82.71 (15)Ru2B—Ru1B—Ru3B—C53B80.24 (15)
C49A—Ru2A—Ru3A—C53A74.0 (2)C46B—Ru1B—Ru3B—C51B73.4 (2)
C48A—Ru2A—Ru3A—C53A19.6 (2)C45B—Ru1B—Ru3B—C51B20.5 (2)
C50A—Ru2A—Ru3A—C53A165.4 (2)C47B—Ru1B—Ru3B—C51B166.6 (2)
As2A—Ru2A—Ru3A—C53A118.60 (16)As2B—Ru1B—Ru3B—C51B113.79 (17)
Ru1A—Ru2A—Ru3A—C53A97.45 (15)Ru2B—Ru1B—Ru3B—C51B99.44 (16)
C49A—Ru2A—Ru3A—P1A144.6 (2)C46B—Ru1B—Ru3B—P1B146.8 (2)
C48A—Ru2A—Ru3A—P1A51.0 (2)C45B—Ru1B—Ru3B—P1B52.9 (2)
C50A—Ru2A—Ru3A—P1A124.0 (2)C47B—Ru1B—Ru3B—P1B120.0 (2)
As2A—Ru2A—Ru3A—P1A47.96 (15)As2B—Ru1B—Ru3B—P1B40.38 (17)
Ru1A—Ru2A—Ru3A—P1A26.81 (13)Ru2B—Ru1B—Ru3B—P1B26.04 (15)
C49A—Ru2A—Ru3A—Ru1A171.45 (16)C46B—Ru1B—Ru3B—Ru2B172.81 (16)
C48A—Ru2A—Ru3A—Ru1A77.84 (16)C45B—Ru1B—Ru3B—Ru2B78.95 (15)
C50A—Ru2A—Ru3A—Ru1A97.14 (16)C47B—Ru1B—Ru3B—Ru2B93.92 (16)
As2A—Ru2A—Ru3A—Ru1A21.15 (5)As2B—Ru1B—Ru3B—Ru2B14.35 (6)
C46A—Ru1A—Ru3A—C52A159.3 (4)C49B—Ru2B—Ru3B—C52B156.8 (4)
C47A—Ru1A—Ru3A—C52A116.5 (4)C50B—Ru2B—Ru3B—C52B120.2 (4)
C45A—Ru1A—Ru3A—C52A66.1 (4)C48B—Ru2B—Ru3B—C52B63.4 (4)
As1A—Ru1A—Ru3A—C52A31.3 (4)As1B—Ru2B—Ru3B—C52B39.9 (4)
Ru2A—Ru1A—Ru3A—C52A15.9 (3)Ru1B—Ru2B—Ru3B—C52B16.4 (4)
C46A—Ru1A—Ru3A—C51A79.3 (2)C49B—Ru2B—Ru3B—C53B78.1 (2)
C47A—Ru1A—Ru3A—C51A163.5 (2)C50B—Ru2B—Ru3B—C53B161.1 (2)
C45A—Ru1A—Ru3A—C51A13.9 (2)C48B—Ru2B—Ru3B—C53B15.3 (2)
As1A—Ru1A—Ru3A—C51A111.30 (15)As1B—Ru2B—Ru3B—C53B118.56 (15)
Ru2A—Ru1A—Ru3A—C51A95.84 (14)Ru1B—Ru2B—Ru3B—C53B95.07 (15)
C46A—Ru1A—Ru3A—C53A103.9 (2)C49B—Ru2B—Ru3B—C51B105.8 (2)
C47A—Ru1A—Ru3A—C53A19.7 (2)C50B—Ru2B—Ru3B—C51B22.8 (2)
C45A—Ru1A—Ru3A—C53A162.9 (2)C48B—Ru2B—Ru3B—C51B160.8 (2)
As1A—Ru1A—Ru3A—C53A65.45 (15)As1B—Ru2B—Ru3B—C51B57.47 (16)
Ru2A—Ru1A—Ru3A—C53A80.91 (15)Ru1B—Ru2B—Ru3B—C51B80.97 (15)
C46A—Ru1A—Ru3A—P1A12.45 (18)C49B—Ru2B—Ru3B—P1B13.29 (17)
C47A—Ru1A—Ru3A—P1A71.73 (15)C50B—Ru2B—Ru3B—P1B69.71 (15)
C45A—Ru1A—Ru3A—P1A105.63 (16)C48B—Ru2B—Ru3B—P1B106.70 (16)
As1A—Ru1A—Ru3A—P1A156.93 (5)As1B—Ru2B—Ru3B—P1B150.00 (5)
Ru2A—Ru1A—Ru3A—P1A172.38 (4)Ru1B—Ru2B—Ru3B—P1B173.50 (4)
C46A—Ru1A—Ru3A—Ru2A175.17 (17)C49B—Ru2B—Ru3B—Ru1B173.21 (17)
C47A—Ru1A—Ru3A—Ru2A100.66 (15)C50B—Ru2B—Ru3B—Ru1B103.79 (15)
C45A—Ru1A—Ru3A—Ru2A81.99 (16)C48B—Ru2B—Ru3B—Ru1B79.80 (16)
As1A—Ru1A—Ru3A—Ru2A15.46 (4)As1B—Ru2B—Ru3B—Ru1B23.50 (4)
C46A—Ru1A—As1A—C7A91.6 (2)C49B—Ru2B—As1B—C7B93.1 (2)
C47A—Ru1A—As1A—C7A3.4 (2)C50B—Ru2B—As1B—C7B4.4 (2)
C45A—Ru1A—As1A—C7A175.3 (2)C48B—Ru2B—As1B—C7B175.2 (2)
Ru2A—Ru1A—As1A—C7A91.74 (18)Ru1B—Ru2B—As1B—C7B91.41 (17)
Ru3A—Ru1A—As1A—C7A78.52 (18)Ru3B—Ru2B—As1B—C7B71.42 (17)
C46A—Ru1A—As1A—C1A30.4 (2)C49B—Ru2B—As1B—C1B27.7 (2)
C47A—Ru1A—As1A—C1A118.6 (2)C50B—Ru2B—As1B—C1B116.4 (2)
C45A—Ru1A—As1A—C1A62.7 (2)C48B—Ru2B—As1B—C1B64.1 (2)
Ru2A—Ru1A—As1A—C1A146.32 (16)Ru1B—Ru2B—As1B—C1B147.84 (17)
Ru3A—Ru1A—As1A—C1A159.54 (16)Ru3B—Ru2B—As1B—C1B167.82 (17)
C46A—Ru1A—As1A—C13A144.3 (2)C49B—Ru2B—As1B—C13B143.5 (2)
C47A—Ru1A—As1A—C13A127.5 (2)C50B—Ru2B—As1B—C13B127.8 (2)
C45A—Ru1A—As1A—C13A51.2 (2)C48B—Ru2B—As1B—C13B51.7 (2)
Ru2A—Ru1A—As1A—C13A32.36 (15)Ru1B—Ru2B—As1B—C13B32.06 (16)
Ru3A—Ru1A—As1A—C13A45.58 (16)Ru3B—Ru2B—As1B—C13B52.04 (17)
C49A—Ru2A—As2A—C20A67.3 (2)C46B—Ru1B—As2B—C14B48.8 (2)
C48A—Ru2A—As2A—C20A160.7 (2)C45B—Ru1B—As2B—C14B45.0 (2)
C50A—Ru2A—As2A—C20A24.2 (2)C47B—Ru1B—As2B—C14B141.3 (2)
Ru3A—Ru2A—As2A—C20A99.81 (18)Ru3B—Ru1B—As2B—C14B138.59 (17)
Ru1A—Ru2A—As2A—C20A118.31 (17)Ru2B—Ru1B—As2B—C14B125.93 (17)
C49A—Ru2A—As2A—C14A51.5 (2)C46B—Ru1B—As2B—C20B71.0 (2)
C48A—Ru2A—As2A—C14A41.9 (2)C45B—Ru1B—As2B—C20B164.7 (2)
C50A—Ru2A—As2A—C14A143.0 (2)C47B—Ru1B—As2B—C20B21.5 (2)
Ru3A—Ru2A—As2A—C14A141.37 (18)Ru3B—Ru1B—As2B—C20B101.62 (19)
Ru1A—Ru2A—As2A—C14A122.88 (18)Ru2B—Ru1B—As2B—C20B114.28 (18)
C49A—Ru2A—As2A—C13A174.2 (2)C46B—Ru1B—As2B—C13B170.6 (2)
C48A—Ru2A—As2A—C13A80.8 (2)C45B—Ru1B—As2B—C13B76.9 (2)
C50A—Ru2A—As2A—C13A94.3 (2)C47B—Ru1B—As2B—C13B96.9 (2)
Ru3A—Ru2A—As2A—C13A18.73 (17)Ru3B—Ru1B—As2B—C13B16.78 (18)
Ru1A—Ru2A—As2A—C13A0.23 (16)Ru2B—Ru1B—As2B—C13B4.12 (16)
C52A—Ru3A—P1A—C32A94.6 (2)C52B—Ru3B—P1B—C32B93.2 (2)
C51A—Ru3A—P1A—C32A174.5 (2)C53B—Ru3B—P1B—C32B173.3 (2)
C53A—Ru3A—P1A—C32A4.7 (2)C51B—Ru3B—P1B—C32B5.3 (2)
Ru2A—Ru3A—P1A—C32A65.0 (2)Ru1B—Ru3B—P1B—C32B67.5 (3)
Ru1A—Ru3A—P1A—C32A88.89 (19)Ru2B—Ru3B—P1B—C32B90.86 (19)
C52A—Ru3A—P1A—C26A142.4 (2)C52B—Ru3B—P1B—C26B144.6 (2)
C51A—Ru3A—P1A—C26A51.5 (2)C53B—Ru3B—P1B—C26B51.1 (2)
C53A—Ru3A—P1A—C26A127.7 (2)C51B—Ru3B—P1B—C26B127.5 (2)
Ru2A—Ru3A—P1A—C26A58.0 (2)Ru1B—Ru3B—P1B—C26B54.8 (3)
Ru1A—Ru3A—P1A—C26A34.08 (19)Ru2B—Ru3B—P1B—C26B31.4 (2)
C52A—Ru3A—P1A—C38A22.4 (2)C52B—Ru3B—P1B—C38B23.0 (2)
C51A—Ru3A—P1A—C38A68.5 (2)C53B—Ru3B—P1B—C38B70.5 (2)
C53A—Ru3A—P1A—C38A112.3 (2)C51B—Ru3B—P1B—C38B111.0 (2)
Ru2A—Ru3A—P1A—C38A177.95 (18)Ru1B—Ru3B—P1B—C38B176.30 (19)
Ru1A—Ru3A—P1A—C38A154.08 (17)Ru2B—Ru3B—P1B—C38B152.90 (17)
C7A—As1A—C1A—C2A153.9 (4)C7B—As1B—C1B—C6B26.2 (5)
C13A—As1A—C1A—C2A99.4 (4)C13B—As1B—C1B—C6B79.9 (4)
Ru1A—As1A—C1A—C2A24.0 (4)Ru2B—As1B—C1B—C6B155.0 (4)
C7A—As1A—C1A—C6A30.5 (5)C7B—As1B—C1B—C2B156.0 (4)
C13A—As1A—C1A—C6A76.2 (4)C13B—As1B—C1B—C2B97.9 (4)
Ru1A—As1A—C1A—C6A160.4 (4)Ru2B—As1B—C1B—C2B27.2 (4)
C6A—C1A—C2A—C3A0.9 (8)C6B—C1B—C2B—C3B0.4 (8)
As1A—C1A—C2A—C3A176.7 (4)As1B—C1B—C2B—C3B177.5 (4)
C1A—C2A—C3A—C4A0.8 (8)C1B—C2B—C3B—C4B0.0 (8)
C2A—C3A—C4A—C5A0.2 (8)C2B—C3B—C4B—C5B0.4 (8)
C3A—C4A—C5A—C6A0.5 (8)C3B—C4B—C5B—C6B0.5 (8)
C4A—C5A—C6A—C1A0.4 (8)C4B—C5B—C6B—C1B0.2 (8)
C2A—C1A—C6A—C5A0.2 (8)C2B—C1B—C6B—C5B0.3 (8)
As1A—C1A—C6A—C5A175.8 (4)As1B—C1B—C6B—C5B177.5 (4)
C1A—As1A—C7A—C8A65.2 (4)C1B—As1B—C7B—C8B62.4 (4)
C13A—As1A—C7A—C8A166.3 (4)C13B—As1B—C7B—C8B164.7 (4)
Ru1A—As1A—C7A—C8A64.5 (4)Ru2B—As1B—C7B—C8B65.8 (4)
C1A—As1A—C7A—C12A117.6 (4)C1B—As1B—C7B—C12B118.9 (4)
C13A—As1A—C7A—C12A16.5 (5)C13B—As1B—C7B—C12B16.6 (5)
Ru1A—As1A—C7A—C12A112.7 (4)Ru2B—As1B—C7B—C12B113.0 (4)
C12A—C7A—C8A—C9A1.4 (8)C12B—C7B—C8B—C9B1.2 (8)
As1A—C7A—C8A—C9A178.6 (4)As1B—C7B—C8B—C9B180.0 (4)
C7A—C8A—C9A—C10A1.3 (8)C7B—C8B—C9B—C10B0.3 (8)
C8A—C9A—C10A—C11A0.0 (9)C8B—C9B—C10B—C11B0.9 (8)
C9A—C10A—C11A—C12A1.3 (9)C9B—C10B—C11B—C12B1.2 (9)
C10A—C11A—C12A—C7A1.2 (8)C10B—C11B—C12B—C7B0.3 (8)
C8A—C7A—C12A—C11A0.1 (8)C8B—C7B—C12B—C11B0.9 (8)
As1A—C7A—C12A—C11A177.2 (4)As1B—C7B—C12B—C11B179.7 (4)
C20A—As2A—C13A—As1A148.4 (2)C7B—As1B—C13B—As2B94.8 (3)
C14A—As2A—C13A—As1A109.8 (3)C1B—As1B—C13B—As2B160.8 (3)
Ru2A—As2A—C13A—As1A21.7 (3)Ru2B—As1B—C13B—As2B35.6 (3)
C7A—As1A—C13A—As2A92.1 (3)C14B—As2B—C13B—As1B112.5 (3)
C1A—As1A—C13A—As2A163.7 (3)C20B—As2B—C13B—As1B143.7 (2)
Ru1A—As1A—C13A—As2A38.6 (3)Ru1B—As2B—C13B—As1B16.9 (3)
C20A—As2A—C14A—C19A56.5 (5)C20B—As2B—C14B—C19B122.3 (4)
C13A—As2A—C14A—C19A48.2 (5)C13B—As2B—C14B—C19B132.3 (4)
Ru2A—As2A—C14A—C19A175.7 (4)Ru1B—As2B—C14B—C19B6.0 (5)
C20A—As2A—C14A—C15A118.7 (4)C20B—As2B—C14B—C15B53.7 (5)
C13A—As2A—C14A—C15A136.7 (4)C13B—As2B—C14B—C15B51.7 (5)
Ru2A—As2A—C14A—C15A9.2 (5)Ru1B—As2B—C14B—C15B178.0 (4)
C19A—C14A—C15A—C16A2.7 (8)C19B—C14B—C15B—C16B3.2 (9)
As2A—C14A—C15A—C16A177.9 (4)As2B—C14B—C15B—C16B179.3 (5)
C14A—C15A—C16A—C17A1.6 (8)C14B—C15B—C16B—C17B2.0 (10)
C15A—C16A—C17A—C18A0.4 (8)C15B—C16B—C17B—C18B0.1 (10)
C16A—C17A—C18A—C19A0.2 (9)C16B—C17B—C18B—C19B0.6 (9)
C17A—C18A—C19A—C14A1.3 (9)C15B—C14B—C19B—C18B2.5 (8)
C15A—C14A—C19A—C18A2.5 (9)As2B—C14B—C19B—C18B178.5 (4)
As2A—C14A—C19A—C18A177.7 (5)C17B—C18B—C19B—C14B0.6 (8)
C14A—As2A—C20A—C21A97.1 (5)C14B—As2B—C20B—C21B127.7 (4)
C13A—As2A—C20A—C21A8.4 (5)C13B—As2B—C20B—C21B20.8 (5)
Ru2A—As2A—C20A—C21A132.9 (4)Ru1B—As2B—C20B—C21B103.4 (4)
C14A—As2A—C20A—C25A79.1 (4)C14B—As2B—C20B—C25B54.5 (4)
C13A—As2A—C20A—C25A175.4 (4)C13B—As2B—C20B—C25B161.4 (4)
Ru2A—As2A—C20A—C25A50.9 (4)Ru1B—As2B—C20B—C25B74.4 (4)
C25A—C20A—C21A—C22A2.1 (8)C25B—C20B—C21B—C22B0.2 (8)
As2A—C20A—C21A—C22A178.2 (4)As2B—C20B—C21B—C22B177.6 (4)
C20A—C21A—C22A—C23A1.2 (9)C20B—C21B—C22B—C23B0.1 (9)
C21A—C22A—C23A—C24A0.9 (9)C21B—C22B—C23B—C24B0.1 (9)
C22A—C23A—C24A—C25A2.2 (9)C22B—C23B—C24B—C25B0.1 (9)
C23A—C24A—C25A—C20A1.3 (8)C23B—C24B—C25B—C20B0.0 (9)
C21A—C20A—C25A—C24A0.9 (8)C21B—C20B—C25B—C24B0.1 (8)
As2A—C20A—C25A—C24A177.3 (4)As2B—C20B—C25B—C24B177.8 (5)
C32A—P1A—C26A—C31A150.9 (4)C32B—P1B—C26B—C31B149.0 (4)
C38A—P1A—C26A—C31A103.7 (4)C38B—P1B—C26B—C31B106.2 (4)
Ru3A—P1A—C26A—C31A23.4 (5)Ru3B—P1B—C26B—C31B21.8 (5)
C32A—P1A—C26A—C27A37.1 (5)C32B—P1B—C26B—C27B34.8 (5)
C38A—P1A—C26A—C27A68.4 (4)C38B—P1B—C26B—C27B70.0 (5)
Ru3A—P1A—C26A—C27A164.6 (3)Ru3B—P1B—C26B—C27B161.9 (3)
C31A—C26A—C27A—C28A0.4 (8)C31B—C26B—C27B—C28B0.1 (8)
P1A—C26A—C27A—C28A171.9 (4)P1B—C26B—C27B—C28B176.2 (4)
C26A—C27A—C28A—C29A0.7 (8)C26B—C27B—C28B—C29B0.4 (8)
C27A—C28A—C29A—C30A1.1 (8)C27B—C28B—C29B—C30B0.8 (8)
C28A—C29A—C30A—C31A0.4 (8)C28B—C29B—C30B—C31B1.0 (8)
C29A—C30A—C31A—C26A0.7 (8)C27B—C26B—C31B—C30B0.3 (8)
C27A—C26A—C31A—C30A1.1 (8)P1B—C26B—C31B—C30B176.1 (4)
P1A—C26A—C31A—C30A171.2 (4)C29B—C30B—C31B—C26B0.7 (8)
C26A—P1A—C32A—C37A47.6 (4)C26B—P1B—C32B—C33B47.7 (4)
C38A—P1A—C32A—C37A151.2 (4)C38B—P1B—C32B—C33B151.0 (4)
Ru3A—P1A—C32A—C37A84.6 (4)Ru3B—P1B—C32B—C33B85.6 (4)
C26A—P1A—C32A—C33A139.7 (4)C26B—P1B—C32B—C37B136.7 (4)
C38A—P1A—C32A—C33A36.0 (5)C38B—P1B—C32B—C37B33.4 (5)
Ru3A—P1A—C32A—C33A88.1 (4)Ru3B—P1B—C32B—C37B90.0 (4)
C37A—C32A—C33A—C34A0.7 (8)C37B—C32B—C33B—C34B0.7 (7)
P1A—C32A—C33A—C34A173.5 (4)P1B—C32B—C33B—C34B176.5 (4)
C32A—C33A—C34A—C35A0.3 (9)C32B—C33B—C34B—C35B0.2 (8)
C33A—C34A—C35A—C36A0.0 (9)C33B—C34B—C35B—C36B0.2 (8)
C34A—C35A—C36A—C37A0.0 (8)C34B—C35B—C36B—C37B0.1 (8)
C35A—C36A—C37A—C32A0.4 (8)C35B—C36B—C37B—C32B0.4 (8)
C33A—C32A—C37A—C36A0.7 (8)C33B—C32B—C37B—C36B0.8 (8)
P1A—C32A—C37A—C36A173.7 (4)P1B—C32B—C37B—C36B176.5 (4)
C32A—P1A—C38A—C39A173.0 (4)C32B—P1B—C38B—C39B167.8 (4)
C26A—P1A—C38A—C39A66.9 (4)C26B—P1B—C38B—C39B63.2 (4)
Ru3A—P1A—C38A—C39A64.1 (4)Ru3B—P1B—C38B—C39B69.9 (4)
P1A—C38A—C39A—C44A104.1 (5)P1B—C38B—C39B—C40B100.8 (5)
P1A—C38A—C39A—C40A73.6 (5)P1B—C38B—C39B—C44B82.6 (5)
C44A—C39A—C40A—C41A4.3 (7)C44B—C39B—C40B—C41B1.5 (7)
C38A—C39A—C40A—C41A173.5 (5)C38B—C39B—C40B—C41B175.1 (5)
C39A—C40A—C41A—C42A3.0 (8)C39B—C40B—C41B—C42B0.5 (8)
C40A—C41A—C42A—C43A1.0 (8)C40B—C41B—C42B—C43B0.1 (9)
C41A—C42A—C43A—C44A3.7 (8)C41B—C42B—C43B—C44B0.3 (9)
C42A—C43A—C44A—C39A2.4 (8)C42B—C43B—C44B—C39B1.4 (8)
C40A—C39A—C44A—C43A1.6 (7)C40B—C39B—C44B—C43B2.0 (8)
C38A—C39A—C44A—C43A176.2 (5)C38B—C39B—C44B—C43B174.7 (5)
Hydrogen-bond geometry (Å, º) top
Cg1, Cg2, Cg3 and Cg4 are the centroids of the C1B–C6B, C1A–C6A, C26A–C31A and C26B–C31B benzene rings, respectively.
D—H···AD—HH···AD···AD—H···A
C16A—H16A···O6B0.932.593.189 (6)123
C30A—H30A···O7Ai0.932.583.261 (6)130
C42B—H42B···O9Bii0.932.583.241 (7)129
C28A—H28A···Cg1iii0.932.723.570 (7)152
C28B—H28B···Cg2iv0.932.873.648 (7)142
C40A—H40A···Cg30.932.773.474 (7)133
C44B—H44B···Cg40.932.943.615 (7)130
Symmetry codes: (i) x+2, y+2, z+1; (ii) x, y+1, z+1; (iii) x+1, y+1/2, z1/2; (iv) x1, y+1/2, z3/2.

Experimental details

Crystal data
Chemical formula[Ru3(C25H22As2)(C19H17P)(CO)9]
Mr1303.86
Crystal system, space groupMonoclinic, P21/c
Temperature (K)100
a, b, c (Å)13.4824 (2), 35.5978 (6), 23.3473 (4)
β (°) 117.597 (1)
V3)9930.5 (3)
Z8
Radiation typeMo Kα
µ (mm1)2.31
Crystal size (mm)0.48 × 0.16 × 0.03
Data collection
DiffractometerBruker SMART APEXII CCD area-detector
diffractometer
Absorption correctionMulti-scan
(SADABS; Bruker, 2005)
Tmin, Tmax0.402, 0.945
No. of measured, independent and
observed [I > 2σ(I)] reflections
131198, 29004, 18757
Rint0.071
(sin θ/λ)max1)0.704
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.062, 0.112, 1.05
No. of reflections29004
No. of parameters1226
H-atom treatmentH-atom parameters constrained
w = 1/[σ2(Fo2) + (0.0284P)2 + 35.7105P]
where P = (Fo2 + 2Fc2)/3
Δρmax, Δρmin (e Å3)2.08, 1.19

Computer programs: APEX2 (Bruker, 2005), SAINT (Bruker, 2005), SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009).

Hydrogen-bond geometry (Å, º) top
Cg1, Cg2, Cg3 and Cg4 are the centroids of the C1B–C6B, C1A–C6A, C26A–C31A and C26B–C31B benzene rings, respectively.
D—H···AD—HH···AD···AD—H···A
C16A—H16A···O6B0.93002.59003.189 (6)123.00
C30A—H30A···O7Ai0.93002.58003.261 (6)130.00
C42B—H42B···O9Bii0.93002.58003.241 (7)129.00
C28A—H28A···Cg1iii0.93002.72003.570 (7)152.00
C28B—H28B···Cg2iv0.93002.87003.648 (7)142.00
C40A—H40A···Cg30.93002.77003.474 (7)133.00
C44B—H44B···Cg40.93002.94003.615 (7)130.00
Symmetry codes: (i) x+2, y+2, z+1; (ii) x, y+1, z+1; (iii) x+1, y+1/2, z1/2; (iv) x1, y+1/2, z3/2.
 

Footnotes

On secondment to: Multimedia University, Melaka Campus, Jalan Ayer Keroh Lama, 74750 Melaka, Malaysia.

§Thomson Reuters ResearcherID: A-5523-2009.

Thomson Reuters ResearcherID: A-3561-2009. Additional correspondence author, e-mail: hkfun@usm.my.

Acknowledgements

The authors would like to thank the Malaysian Government and Universiti Sains Malaysia (USM) for the Research grant 1001/PJJAUH/811115. IAK is grateful to USM for a Postdoctoral Fellowship and to Gokhale Centenary College, Ankola, Karnataka, India, for postdoctoral study leave. HKF thanks USM for the Research University Golden Goose grant 1001/PFIZIK/811012. CSY thanks USM for the award of a USM Fellowship.

References

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Volume 66| Part 1| January 2010| Pages m73-m74
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