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

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 67| Part 5| May 2011| Pages m545-m546

[μ-Bis(di­phenyl­arsanyl)methane-1:2κ2As:As′]nona­carbonyl-1κ3C,2κ3C,3κ3C-(triisoprop­yl phos­phite-3κP)-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 19 March 2011; accepted 31 March 2011; online 7 April 2011)

The asymmetric unit of the title triangulo-triruthenium compound, Ru3(CO)9(μ-Ph2AsCH2AsPh2)(P[OCH(CH3)2]3) or [Ru3(C25H22As2)(C9H21O3P)(CO)9], contains two mol­ecules of the triangulo-triruthenium complex. The bis­(diphenyl­arsanyl)methane ligand bridges an Ru—Ru bond and the monodentate phosphite ligand binds to the third Ru atom. Both the arsine and phosphite ligands are equatorial with respect to the Ru3 triangle. Additionally, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The dihedral angles between the pairs of benzene rings bound to individual As atoms are 85.67 (8) and 75.91 (8) in the first independent mol­ecule and 74.64 (8) and 70.76 (9) in the second. In the crystal, mol­ecules are linked into a three-dimensional framework by inter­molecular C—H⋯O hydrogen bonds.

Related literature

For related structures, see: Bruce et al. (1983[Bruce, M. I., Matison, J. G. & Nicholson, B. K. (1983). J. Organomet. Chem. 247, 321-343.], 1988[Bruce, M. I., Liddell, M. J., Shawkataly, O. bin, Hughes, C. A., Skelton, B. W. & White, A. H. (1988). J. Organomet. Chem. 347, 207-235.]); Churchill et al. (1977[Churchill, M. R., Hollander, F. J. & Hutchinson, J. P. (1977). Inorg. Chem. 16, 2655-2659.]); Shawkataly et al. (1998[Shawkataly, O. bin, Ramalingam. K., Ashari, D. M., Fun, H.-K. Razak, I. A. (1998). Acta Cryst. C54, 329-331.]). For the synthesis, see: Shawkataly et al. (2011[Shawkataly, O. bin, Pankhi, M. A. A., Alam, M. G., Yeap, C. S. & Fun, H.-K. (2011). Polyhedron. 30, 444-450.]); Bruce et al. (1987[Bruce, M. I., Nicholson, B. K. & Williams, M. L. (1987). Inorg. Synth. 26, 273.]). For the stability of the temperature controller used in 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)(C9H21O3P)(CO)9]

  • Mr = 1235.79

  • Triclinic, [P \overline 1]

  • a = 12.3481 (3) Å

  • b = 18.1697 (4) Å

  • c = 21.5295 (5) Å

  • α = 93.494 (1)°

  • β = 103.230 (1)°

  • γ = 90.383 (1)°

  • V = 4692.38 (19) Å3

  • Z = 4

  • Mo Kα radiation

  • μ = 2.45 mm−1

  • T = 100 K

  • 0.35 × 0.23 × 0.19 mm

Data collection
  • Bruker APEXII DUO CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2009[Bruker (2009). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.483, Tmax = 0.659

  • 161249 measured reflections

  • 40931 independent reflections

  • 35153 reflections with I > 2σ(I)

  • Rint = 0.026

Refinement
  • R[F2 > 2σ(F2)] = 0.024

  • wR(F2) = 0.055

  • S = 1.01

  • 40931 reflections

  • 1093 parameters

  • H-atom parameters constrained

  • Δρmax = 1.57 e Å−3

  • Δρmin = −1.26 e Å−3

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
C10B—H10B⋯O6Ai 0.93 2.59 3.293 (2) 132
C17B—H17B⋯O2Bii 0.93 2.57 3.477 (2) 165
C33A—H33B⋯O2Aiii 0.96 2.56 3.492 (2) 164
Symmetry codes: (i) -x, -y+1, -z; (ii) -x+1, -y+1, -z; (iii) -x, -y+1, -z+1.

Data collection: APEX2 (Bruker, 2009[Bruker (2009). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2009[Bruker (2009). 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

Syntheses and crystal structures of substituted triangulo-triruthenium clusters have been of interest to researchers due to structural variations and catalytic activities. A large number of substituted derivatives, Ru3(CO)12-nLn (L = group 15 ligand) have been reported (Bruce et al., 1988). As part of our ongoing studies (Shawkataly et al., 2011), we report here a mixed-ligand metal-carbonyl cluster complex, Ru3(CO)9(µ-Ph2AsCH2AsPh2)(P[OCH(CH3)2]3).

The asymmetric unit consists of two crystallographically independent molecules (Fig. 1) of the triangulo-triruthenium complex, A and B. Fig. 2 shows the atom numbering scheme for molecule A. Atoms of molecule B were labelled similarly. The bond lengths and angles of the title compound are comparable to those found in its related structure (Shawkataly et al., 1998). The bis(diphenylarsino)methane ligand bridges the Ru1 – Ru2 bond and the monodentate phosphite ligand bonds to the Ru3 atom. Both the phosphite and arsine ligands are equatorial with respect to the Ru3 triangle. Additionally, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The dihedral angles between the two benzene rings (C1-C6/C7-C12 & C14-C19/C20-C25) are 85.67 (8), 75.91 (8) and 74.64 (8), 70.76 (9) for the two diphenylarsanyl groups of molecule A and B, respectively.

In the title compound, one of the Ru – Ru bonds is noticeably longer compared to the other two Ru – Ru bonds. The unevenness in the lengths of Ru – Ru bonds in comparison with those of the Ru3(CO)12 structure (Churchill et al., 1977), can be attributed to the steric effect induced by the bulky substituent. In the crystal, molecules are linked into a three-dimensional framework by intermolecular C—H···O weak intearctions. (Fig. 3).

Related literature top

For related structures, see: Bruce et al. (1983, 1988); Churchill et al. (1977); Shawkataly et al. (1998). For the synthesis, see: Shawkataly et al. (2011); Bruce et al. (1987). For the stability of the temperature controller used in 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 (Bruce et al., 1987). Isopropyl phosphite was used as received and bis(diphenylarsino)methane (Bruce et al., 1983) was prepared by the reported procedure.

Equimolar quantities of Ru3(CO)10(µ-Ph2AsCH2AsPh) and isopropyl phosphite were refluxed in THF under nitrogen for 20 minutes. The reaction mixture turned intense red. The solvent was removed under vacuum. The reaction mixture was separated by TLC (dichloromethane:hexane, 1:3). Two bands appeared. The major band (red) Rf = 0.61 was separated and characterized. The compound was crystallised from CH2Cl2- CH3OH, 1:3 yield = 55.2 %, m.p. 189°C. IR(cyclohexane): v (CO) 2127s, 2059 vs, 2042 s, 2017 s, 1988 s cm-1.

Refinement top

All hydrogen atoms were positioned geometrically and refined using a riding model with C—H = 0.93–0.98 Å and Uiso(H) = 1.2Ueq(C) and 1.5Ueq (C of methyl group).

Computing details top

Data collection: APEX2 (Bruker, 2009); cell refinement: SAINT (Bruker, 2009); data reduction: SAINT (Bruker, 2009); 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 asymmetric unit, showing 50% probability displacement ellipsoids.
[Figure 2] Fig. 2. The structure of molecule A, showing 50% probability displacement ellipsoids and the atom-numbering scheme. Atoms in molecule B are similarly labelled.
[Figure 3] Fig. 3. The crystal packing of (I) viewed along the c axis. Dashed lines indicate hydrogen bonds. H atoms not involved in the hydrogen bond interactions have been omitted for clarity.
[µ-Bis(diphenylarsanyl)methane-1:2κ2As:As']nonacarbonyl- 1κ3C,2κ3C,3κ3C-(triisopropyl phosphite-3κP)- triangulo-triruthenium(0) top
Crystal data top
[Ru3(C25H22As2)(C9H21O3P)(CO)9]Z = 4
Mr = 1235.79F(000) = 2440
Triclinic, P1Dx = 1.749 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 12.3481 (3) ÅCell parameters from 9785 reflections
b = 18.1697 (4) Åθ = 2.8–37.6°
c = 21.5295 (5) ŵ = 2.45 mm1
α = 93.494 (1)°T = 100 K
β = 103.230 (1)°Plate, red
γ = 90.383 (1)°0.35 × 0.23 × 0.19 mm
V = 4692.38 (19) Å3
Data collection top
Bruker APEXII DUO CCD area-detector
diffractometer
40931 independent reflections
Radiation source: fine-focus sealed tube35153 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.026
ϕ and ω scansθmax = 35.0°, θmin = 1.8°
Absorption correction: multi-scan
(SADABS; Bruker, 2009)
h = 1919
Tmin = 0.483, Tmax = 0.659k = 2929
161249 measured reflectionsl = 3434
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)] = 0.024Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.055H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.0207P)2 + 3.4447P]
where P = (Fo2 + 2Fc2)/3
40931 reflections(Δ/σ)max = 0.005
1093 parametersΔρmax = 1.57 e Å3
0 restraintsΔρmin = 1.26 e Å3
Crystal data top
[Ru3(C25H22As2)(C9H21O3P)(CO)9]γ = 90.383 (1)°
Mr = 1235.79V = 4692.38 (19) Å3
Triclinic, P1Z = 4
a = 12.3481 (3) ÅMo Kα radiation
b = 18.1697 (4) ŵ = 2.45 mm1
c = 21.5295 (5) ÅT = 100 K
α = 93.494 (1)°0.35 × 0.23 × 0.19 mm
β = 103.230 (1)°
Data collection top
Bruker APEXII DUO CCD area-detector
diffractometer
40931 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2009)
35153 reflections with I > 2σ(I)
Tmin = 0.483, Tmax = 0.659Rint = 0.026
161249 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0240 restraints
wR(F2) = 0.055H-atom parameters constrained
S = 1.01Δρmax = 1.57 e Å3
40931 reflectionsΔρmin = 1.26 e Å3
1093 parameters
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 esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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
Ru1A0.185622 (9)0.312340 (6)0.427544 (5)0.01368 (2)
Ru2A0.340063 (9)0.193747 (6)0.432267 (5)0.01354 (2)
Ru3A0.197922 (9)0.197674 (6)0.517361 (5)0.01439 (2)
As1A0.236634 (11)0.355824 (7)0.331871 (6)0.01348 (2)
As2A0.428726 (11)0.234754 (8)0.351165 (6)0.01387 (2)
P1A0.05349 (3)0.20550 (2)0.567872 (17)0.01507 (6)
O1A0.03079 (10)0.22772 (7)0.36225 (6)0.0276 (2)
O2A0.03402 (11)0.43647 (7)0.44928 (6)0.0281 (3)
O3A0.37695 (11)0.39986 (7)0.51876 (6)0.0268 (2)
O4A0.51675 (10)0.26282 (7)0.54581 (6)0.0247 (2)
O5A0.43156 (12)0.03960 (7)0.44851 (7)0.0338 (3)
O6A0.16098 (10)0.13352 (7)0.31667 (6)0.0269 (2)
O7A0.04765 (11)0.08535 (7)0.42250 (6)0.0293 (2)
O8A0.32119 (11)0.06903 (7)0.58178 (6)0.0302 (3)
O9A0.33184 (11)0.30623 (8)0.62211 (6)0.0303 (3)
O10A0.04745 (9)0.14607 (6)0.61850 (5)0.01956 (19)
O11A0.06140 (9)0.18840 (6)0.51830 (5)0.01920 (19)
O12A0.03848 (9)0.27785 (6)0.61109 (5)0.01966 (19)
C1A0.12125 (11)0.38267 (7)0.25888 (7)0.0154 (2)
C2A0.02752 (13)0.41811 (9)0.27021 (8)0.0230 (3)
H2AA0.01630.42340.31150.028*
C3A0.04975 (14)0.44579 (10)0.21959 (9)0.0270 (3)
H3AA0.11180.47010.22740.032*
C4A0.03447 (13)0.43732 (9)0.15792 (8)0.0229 (3)
H4AA0.08610.45600.12440.027*
C5A0.05729 (14)0.40114 (10)0.14619 (8)0.0258 (3)
H5AA0.06670.39450.10460.031*
C6A0.13607 (13)0.37452 (9)0.19675 (7)0.0234 (3)
H6AA0.19880.35120.18880.028*
C7A0.32135 (11)0.44843 (8)0.34206 (7)0.0158 (2)
C8A0.38946 (14)0.46559 (9)0.30141 (8)0.0221 (3)
H8AA0.40050.43070.27010.027*
C9A0.44112 (14)0.53480 (9)0.30737 (8)0.0239 (3)
H9AA0.48660.54580.28010.029*
C10A0.42536 (13)0.58731 (9)0.35355 (8)0.0222 (3)
H10A0.46020.63340.35740.027*
C11A0.35700 (14)0.57061 (9)0.39414 (8)0.0231 (3)
H11A0.34590.60580.42520.028*
C12A0.30522 (13)0.50151 (8)0.38852 (7)0.0195 (2)
H12A0.25970.49070.41580.023*
C13A0.32281 (12)0.28819 (8)0.28830 (6)0.0162 (2)
H13A0.27280.25330.25940.019*
H13B0.36280.31590.26320.019*
C14A0.47177 (12)0.15555 (7)0.29804 (7)0.0163 (2)
C15A0.54633 (13)0.10433 (9)0.32842 (7)0.0217 (3)
H15A0.57530.11020.37230.026*
C16A0.57737 (14)0.04462 (9)0.29348 (8)0.0243 (3)
H16A0.62760.01100.31380.029*
C17A0.53324 (14)0.03528 (8)0.22813 (8)0.0230 (3)
H17A0.55420.00460.20460.028*
C18A0.45801 (14)0.08520 (8)0.19785 (7)0.0219 (3)
H18A0.42780.07840.15410.026*
C19A0.42734 (13)0.14551 (8)0.23259 (7)0.0184 (2)
H19A0.37710.17910.21200.022*
C20A0.55895 (12)0.30004 (8)0.37121 (7)0.0171 (2)
C21A0.56048 (13)0.36082 (8)0.41418 (7)0.0208 (3)
H21A0.50070.36860.43320.025*
C22A0.65110 (15)0.40982 (9)0.42867 (8)0.0267 (3)
H22A0.65120.45090.45670.032*
C23A0.74138 (14)0.39751 (10)0.40137 (9)0.0288 (3)
H23A0.80210.43020.41120.035*
C24A0.74112 (14)0.33647 (10)0.35934 (9)0.0271 (3)
H24A0.80210.32790.34150.033*
C25A0.64965 (13)0.28783 (9)0.34373 (8)0.0216 (3)
H25A0.64920.24740.31510.026*
C26A0.13545 (13)0.13752 (9)0.67551 (7)0.0226 (3)
H26A0.20710.15100.66660.027*
C27A0.1157 (2)0.18750 (15)0.73067 (11)0.0520 (5)
H27A0.12250.23810.72130.078*
H27B0.16980.17800.76890.078*
H27C0.04240.17810.73680.078*
C28A0.13514 (19)0.05692 (11)0.68819 (11)0.0395 (5)
H28A0.14360.02790.65090.059*
H28B0.06600.04370.69820.059*
H28C0.19560.04770.72350.059*
C29A0.16430 (12)0.16323 (9)0.53451 (8)0.0219 (3)
H29A0.16310.17860.57910.026*
C30A0.17230 (18)0.08025 (11)0.52515 (13)0.0427 (4)
H30A0.11060.05930.55370.064*
H30B0.17070.06540.48180.064*
H30C0.24070.06320.53400.064*
C31A0.25866 (18)0.19967 (14)0.49048 (12)0.0440 (4)
H31A0.25280.25210.49960.066*
H31B0.32830.18180.49690.066*
H31C0.25490.18830.44690.066*
C32A0.04283 (14)0.35253 (8)0.59024 (8)0.0223 (3)
H32A0.09050.35360.55960.027*
C33A0.07353 (16)0.37404 (10)0.55800 (10)0.0302 (4)
H33A0.09960.34300.51970.045*
H33B0.07280.42460.54740.045*
H33C0.12210.36830.58650.045*
C34A0.09399 (19)0.40151 (10)0.64906 (10)0.0348 (4)
H34A0.16560.38330.66880.052*
H34B0.04660.40140.67870.052*
H34C0.10230.45090.63700.052*
C35A0.05387 (13)0.25422 (8)0.38600 (7)0.0198 (3)
C36A0.09066 (13)0.38836 (8)0.44165 (7)0.0186 (2)
C37A0.30942 (13)0.36302 (8)0.48535 (7)0.0194 (2)
C38A0.44768 (12)0.23894 (8)0.50448 (7)0.0181 (2)
C39A0.40018 (13)0.09858 (9)0.44396 (7)0.0209 (3)
C40A0.22252 (12)0.15734 (8)0.36194 (7)0.0189 (2)
C41A0.10377 (13)0.12908 (8)0.45433 (7)0.0207 (3)
C42A0.27394 (13)0.11760 (9)0.55825 (7)0.0208 (3)
C43A0.28449 (13)0.26821 (9)0.58020 (7)0.0211 (3)
Ru1B0.339824 (9)0.737543 (6)0.020451 (5)0.01278 (2)
Ru2B0.554997 (9)0.807238 (6)0.065368 (5)0.01303 (2)
Ru3B0.409502 (9)0.797940 (6)0.148373 (5)0.01333 (2)
As1B0.354067 (12)0.725193 (8)0.090391 (7)0.01419 (2)
As2B0.617117 (12)0.757903 (8)0.027337 (7)0.01422 (2)
P1B0.24434 (3)0.79901 (2)0.179505 (17)0.01526 (6)
O1B0.48228 (10)0.60037 (6)0.04909 (6)0.0230 (2)
O2B0.12319 (10)0.65451 (7)0.01519 (7)0.0297 (3)
O3B0.19725 (10)0.87497 (6)0.00891 (6)0.0250 (2)
O4B0.43815 (10)0.92849 (6)0.01740 (6)0.0259 (2)
O5B0.72668 (10)0.92191 (7)0.13537 (6)0.0285 (2)
O6B0.67389 (10)0.68923 (6)0.15124 (6)0.0234 (2)
O7B0.44806 (12)0.63705 (7)0.18197 (6)0.0296 (3)
O8B0.58619 (11)0.84901 (8)0.26636 (6)0.0324 (3)
O9B0.35312 (11)0.95402 (6)0.10515 (6)0.0254 (2)
O10B0.24208 (10)0.83223 (7)0.24973 (6)0.0260 (2)
O11B0.17395 (9)0.72522 (6)0.17894 (6)0.0217 (2)
O12B0.15674 (9)0.84427 (6)0.13157 (5)0.0203 (2)
C1B0.33933 (12)0.62820 (7)0.13510 (7)0.0163 (2)
C2B0.35030 (13)0.62110 (8)0.19829 (7)0.0201 (3)
H2BA0.35740.66300.22000.024*
C3B0.35059 (14)0.55150 (9)0.22884 (7)0.0227 (3)
H3BA0.35780.54680.27090.027*
C4B0.34000 (13)0.48894 (9)0.19637 (8)0.0227 (3)
H4BA0.34190.44230.21650.027*
C5B0.32664 (12)0.49591 (8)0.13416 (7)0.0200 (3)
H5BA0.31800.45400.11290.024*
C6B0.32616 (12)0.56564 (8)0.10337 (7)0.0177 (2)
H6BA0.31700.57020.06160.021*
C7B0.25050 (12)0.78285 (8)0.14899 (7)0.0169 (2)
C8B0.27299 (15)0.85673 (9)0.15500 (9)0.0279 (3)
H8BA0.34160.87780.13430.033*
C9B0.19267 (16)0.89929 (9)0.19204 (9)0.0317 (4)
H9BA0.20810.94870.19610.038*
C10B0.09035 (15)0.86873 (9)0.22268 (8)0.0272 (3)
H10B0.03720.89720.24770.033*
C11B0.06720 (13)0.79510 (9)0.21592 (8)0.0235 (3)
H11B0.00200.77450.23600.028*
C12B0.14688 (12)0.75218 (8)0.17930 (7)0.0197 (3)
H12B0.13100.70290.17500.024*
C13B0.49808 (12)0.75811 (8)0.10505 (7)0.0188 (2)
H13C0.51750.72580.13820.023*
H13D0.49120.80760.11990.023*
C14B0.67501 (13)0.65916 (8)0.02879 (7)0.0190 (3)
C15B0.77084 (15)0.64590 (9)0.01763 (8)0.0255 (3)
H15B0.79990.68230.04950.031*
C16B0.82291 (18)0.57824 (10)0.01631 (10)0.0337 (4)
H16B0.88740.56960.04680.040*
C17B0.77798 (18)0.52375 (10)0.03081 (11)0.0370 (5)
H17B0.81290.47870.03200.044*
C18B0.68180 (17)0.53615 (10)0.07589 (11)0.0357 (4)
H18B0.65130.49900.10670.043*
C19B0.63018 (14)0.60414 (9)0.07547 (9)0.0265 (3)
H19B0.56600.61260.10630.032*
C20B0.73519 (12)0.81087 (8)0.05346 (7)0.0173 (2)
C21B0.80847 (14)0.77348 (9)0.08396 (8)0.0247 (3)
H21B0.79940.72290.09370.030*
C22B0.89520 (16)0.81160 (10)0.09990 (10)0.0316 (4)
H22B0.94430.78640.12010.038*
C23B0.90882 (15)0.88701 (10)0.08582 (10)0.0307 (4)
H23B0.96720.91240.09630.037*
C24B0.83519 (14)0.92459 (9)0.05607 (9)0.0267 (3)
H24B0.84370.97530.04720.032*
C25B0.74863 (12)0.88669 (8)0.03947 (8)0.0208 (3)
H25B0.69990.91200.01910.025*
C26B0.31227 (16)0.89327 (10)0.28401 (9)0.0305 (4)
H26B0.36320.90910.25830.037*
C27B0.2382 (2)0.95604 (15)0.29488 (11)0.0520 (5)
H27D0.19880.97220.25440.078*
H27E0.28280.99620.31900.078*
H27F0.18580.93970.31820.078*
C28B0.37867 (18)0.86573 (14)0.34603 (9)0.0392 (4)
H28D0.42310.82510.33690.059*
H28E0.32870.84980.37100.059*
H28F0.42630.90480.36960.059*
C29B0.20585 (15)0.66959 (10)0.22553 (10)0.0293 (4)
H29B0.28500.67570.24640.035*
C30B0.18501 (18)0.59571 (11)0.18843 (13)0.0427 (4)
H30D0.22790.59300.15640.064*
H30E0.10740.59000.16820.064*
H30F0.20650.55710.21700.064*
C31B0.13696 (18)0.67900 (14)0.27457 (12)0.0440 (4)
H31D0.15470.72590.29800.066*
H31E0.15270.64030.30350.066*
H31F0.05940.67690.25350.066*
C32B0.04202 (12)0.85458 (9)0.13787 (8)0.0227 (3)
H32B0.03750.84710.18190.027*
C33B0.03334 (15)0.79981 (11)0.09303 (11)0.0365 (4)
H33D0.01270.75070.10450.055*
H33E0.02660.80580.05010.055*
H33F0.10890.80780.09580.055*
C34B0.01410 (15)0.93339 (10)0.12292 (11)0.0319 (4)
H34D0.06610.96630.15180.048*
H34E0.05990.94330.12780.048*
H34F0.01840.94070.07970.048*
C35B0.43313 (12)0.65362 (8)0.04108 (7)0.0171 (2)
C36B0.20505 (12)0.68588 (8)0.01746 (7)0.0191 (2)
C37B0.25441 (12)0.82674 (8)0.00457 (7)0.0179 (2)
C38B0.47542 (12)0.88203 (8)0.01420 (7)0.0184 (2)
C39B0.66404 (12)0.87716 (8)0.10905 (7)0.0182 (2)
C40B0.62378 (12)0.73118 (8)0.11932 (7)0.0178 (2)
C41B0.43382 (13)0.69593 (8)0.16652 (7)0.0203 (3)
C42B0.51685 (13)0.83132 (9)0.22284 (7)0.0213 (3)
C43B0.37617 (12)0.89545 (8)0.11856 (7)0.0188 (2)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru1A0.01498 (4)0.01348 (4)0.01328 (4)0.00320 (3)0.00426 (3)0.00231 (3)
Ru2A0.01373 (4)0.01421 (4)0.01253 (4)0.00283 (3)0.00234 (3)0.00207 (3)
Ru3A0.01465 (4)0.01462 (4)0.01440 (4)0.00116 (3)0.00371 (4)0.00334 (3)
As1A0.01435 (6)0.01388 (6)0.01247 (6)0.00331 (4)0.00323 (4)0.00196 (4)
As2A0.01417 (6)0.01534 (6)0.01208 (6)0.00351 (4)0.00263 (4)0.00179 (4)
P1A0.01446 (14)0.01624 (15)0.01473 (14)0.00120 (11)0.00285 (12)0.00451 (11)
O1A0.0223 (5)0.0260 (6)0.0318 (6)0.0010 (4)0.0012 (5)0.0003 (5)
O2A0.0316 (6)0.0217 (5)0.0361 (7)0.0102 (5)0.0170 (5)0.0054 (5)
O3A0.0284 (6)0.0238 (5)0.0243 (6)0.0000 (4)0.0017 (5)0.0002 (4)
O4A0.0218 (5)0.0287 (6)0.0209 (5)0.0021 (4)0.0001 (4)0.0016 (4)
O5A0.0432 (8)0.0236 (6)0.0329 (7)0.0138 (5)0.0039 (6)0.0060 (5)
O6A0.0214 (5)0.0308 (6)0.0246 (6)0.0032 (4)0.0008 (4)0.0047 (5)
O7A0.0334 (6)0.0240 (6)0.0284 (6)0.0051 (5)0.0038 (5)0.0012 (5)
O8A0.0347 (7)0.0281 (6)0.0285 (6)0.0116 (5)0.0059 (5)0.0110 (5)
O9A0.0289 (6)0.0367 (7)0.0241 (6)0.0104 (5)0.0054 (5)0.0039 (5)
O10A0.0167 (4)0.0221 (5)0.0202 (5)0.0008 (4)0.0026 (4)0.0104 (4)
O11A0.0148 (4)0.0246 (5)0.0178 (5)0.0010 (4)0.0020 (4)0.0049 (4)
O12A0.0248 (5)0.0181 (5)0.0181 (5)0.0012 (4)0.0084 (4)0.0034 (4)
C1A0.0148 (5)0.0143 (5)0.0159 (6)0.0017 (4)0.0011 (4)0.0023 (4)
C2A0.0174 (6)0.0307 (8)0.0205 (7)0.0070 (5)0.0032 (5)0.0026 (6)
C3A0.0183 (7)0.0320 (8)0.0293 (8)0.0089 (6)0.0017 (6)0.0040 (6)
C4A0.0165 (6)0.0227 (7)0.0267 (7)0.0005 (5)0.0026 (5)0.0089 (6)
C5A0.0242 (7)0.0336 (8)0.0186 (7)0.0049 (6)0.0014 (6)0.0080 (6)
C6A0.0221 (7)0.0304 (8)0.0178 (6)0.0097 (6)0.0034 (5)0.0050 (5)
C7A0.0160 (5)0.0167 (6)0.0148 (5)0.0018 (4)0.0029 (4)0.0031 (4)
C8A0.0269 (7)0.0210 (6)0.0213 (7)0.0017 (5)0.0111 (6)0.0025 (5)
C9A0.0245 (7)0.0235 (7)0.0267 (7)0.0003 (5)0.0113 (6)0.0063 (6)
C10A0.0216 (7)0.0209 (6)0.0230 (7)0.0033 (5)0.0022 (5)0.0034 (5)
C11A0.0265 (7)0.0208 (7)0.0216 (7)0.0037 (5)0.0058 (6)0.0023 (5)
C12A0.0214 (6)0.0192 (6)0.0186 (6)0.0009 (5)0.0064 (5)0.0003 (5)
C13A0.0175 (6)0.0171 (6)0.0138 (5)0.0054 (4)0.0032 (4)0.0018 (4)
C14A0.0181 (6)0.0155 (5)0.0159 (6)0.0027 (4)0.0051 (5)0.0016 (4)
C15A0.0234 (7)0.0232 (7)0.0178 (6)0.0089 (5)0.0031 (5)0.0012 (5)
C16A0.0272 (7)0.0216 (7)0.0243 (7)0.0100 (6)0.0057 (6)0.0032 (5)
C17A0.0314 (8)0.0162 (6)0.0230 (7)0.0043 (5)0.0095 (6)0.0011 (5)
C18A0.0324 (8)0.0161 (6)0.0172 (6)0.0016 (5)0.0056 (6)0.0005 (5)
C19A0.0240 (7)0.0151 (6)0.0158 (6)0.0023 (5)0.0033 (5)0.0020 (4)
C20A0.0158 (6)0.0189 (6)0.0159 (6)0.0016 (4)0.0013 (5)0.0044 (5)
C21A0.0211 (6)0.0218 (6)0.0188 (6)0.0008 (5)0.0029 (5)0.0016 (5)
C22A0.0288 (8)0.0247 (7)0.0233 (7)0.0051 (6)0.0007 (6)0.0015 (6)
C23A0.0226 (7)0.0323 (8)0.0292 (8)0.0071 (6)0.0008 (6)0.0108 (7)
C24A0.0178 (6)0.0352 (8)0.0294 (8)0.0010 (6)0.0050 (6)0.0116 (7)
C25A0.0185 (6)0.0260 (7)0.0215 (7)0.0035 (5)0.0059 (5)0.0059 (5)
C26A0.0204 (6)0.0299 (7)0.0183 (6)0.0050 (5)0.0036 (5)0.0106 (5)
C27A0.0609 (11)0.0565 (10)0.0322 (7)0.0290 (9)0.0004 (7)0.0087 (7)
C28A0.0400 (10)0.0346 (10)0.0419 (11)0.0058 (8)0.0000 (9)0.0227 (8)
C29A0.0155 (6)0.0260 (7)0.0242 (7)0.0007 (5)0.0044 (5)0.0035 (5)
C30A0.0312 (7)0.0245 (6)0.0691 (11)0.0042 (5)0.0036 (7)0.0074 (6)
C31A0.0319 (7)0.0525 (9)0.0538 (9)0.0109 (6)0.0167 (7)0.0258 (8)
C32A0.0283 (7)0.0176 (6)0.0243 (7)0.0001 (5)0.0124 (6)0.0028 (5)
C33A0.0337 (9)0.0229 (7)0.0383 (9)0.0087 (6)0.0150 (7)0.0102 (7)
C34A0.0459 (11)0.0261 (8)0.0351 (9)0.0104 (7)0.0176 (8)0.0073 (7)
C35A0.0209 (6)0.0179 (6)0.0214 (6)0.0045 (5)0.0061 (5)0.0019 (5)
C36A0.0214 (6)0.0178 (6)0.0185 (6)0.0023 (5)0.0075 (5)0.0039 (5)
C37A0.0212 (6)0.0198 (6)0.0174 (6)0.0044 (5)0.0044 (5)0.0041 (5)
C38A0.0183 (6)0.0195 (6)0.0167 (6)0.0036 (5)0.0044 (5)0.0023 (5)
C39A0.0220 (7)0.0221 (6)0.0180 (6)0.0051 (5)0.0031 (5)0.0026 (5)
C40A0.0165 (6)0.0206 (6)0.0193 (6)0.0043 (5)0.0030 (5)0.0022 (5)
C41A0.0234 (7)0.0190 (6)0.0204 (6)0.0017 (5)0.0059 (5)0.0038 (5)
C42A0.0213 (6)0.0222 (6)0.0198 (6)0.0021 (5)0.0057 (5)0.0049 (5)
C43A0.0188 (6)0.0249 (7)0.0207 (6)0.0016 (5)0.0064 (5)0.0033 (5)
Ru1B0.01209 (4)0.01290 (4)0.01270 (4)0.00062 (3)0.00130 (3)0.00173 (3)
Ru2B0.01213 (4)0.01236 (4)0.01426 (4)0.00093 (3)0.00238 (3)0.00084 (3)
Ru3B0.01277 (4)0.01367 (4)0.01320 (4)0.00093 (3)0.00229 (3)0.00055 (3)
As1B0.01590 (6)0.01336 (6)0.01246 (6)0.00087 (4)0.00123 (5)0.00213 (4)
As2B0.01477 (6)0.01318 (6)0.01513 (6)0.00051 (4)0.00402 (5)0.00199 (4)
P1B0.01455 (14)0.01611 (15)0.01531 (15)0.00140 (11)0.00363 (12)0.00172 (11)
O1B0.0216 (5)0.0187 (5)0.0261 (5)0.0022 (4)0.0001 (4)0.0031 (4)
O2B0.0191 (5)0.0244 (6)0.0455 (8)0.0045 (4)0.0067 (5)0.0045 (5)
O3B0.0235 (5)0.0208 (5)0.0285 (6)0.0046 (4)0.0012 (4)0.0027 (4)
O4B0.0250 (5)0.0199 (5)0.0303 (6)0.0011 (4)0.0002 (5)0.0078 (4)
O5B0.0245 (6)0.0249 (6)0.0321 (6)0.0076 (4)0.0004 (5)0.0040 (5)
O6B0.0236 (5)0.0220 (5)0.0239 (5)0.0024 (4)0.0029 (4)0.0062 (4)
O7B0.0389 (7)0.0230 (5)0.0335 (6)0.0101 (5)0.0191 (6)0.0111 (5)
O8B0.0233 (6)0.0414 (7)0.0266 (6)0.0002 (5)0.0048 (5)0.0052 (5)
O9B0.0295 (6)0.0161 (5)0.0284 (6)0.0023 (4)0.0023 (5)0.0004 (4)
O10B0.0249 (5)0.0348 (6)0.0191 (5)0.0018 (5)0.0086 (4)0.0049 (4)
O11B0.0185 (5)0.0195 (5)0.0275 (5)0.0011 (4)0.0050 (4)0.0069 (4)
O12B0.0142 (4)0.0243 (5)0.0238 (5)0.0038 (4)0.0053 (4)0.0094 (4)
C1B0.0165 (6)0.0157 (5)0.0157 (6)0.0001 (4)0.0018 (5)0.0012 (4)
C2B0.0240 (7)0.0197 (6)0.0164 (6)0.0009 (5)0.0038 (5)0.0020 (5)
C3B0.0257 (7)0.0237 (7)0.0180 (6)0.0050 (5)0.0044 (5)0.0020 (5)
C4B0.0213 (7)0.0189 (6)0.0259 (7)0.0053 (5)0.0020 (6)0.0023 (5)
C5B0.0190 (6)0.0154 (6)0.0237 (7)0.0024 (5)0.0007 (5)0.0026 (5)
C6B0.0174 (6)0.0169 (6)0.0174 (6)0.0002 (5)0.0009 (5)0.0025 (5)
C7B0.0195 (6)0.0164 (6)0.0134 (5)0.0003 (5)0.0004 (5)0.0031 (4)
C8B0.0280 (8)0.0193 (7)0.0299 (8)0.0057 (6)0.0082 (6)0.0070 (6)
C9B0.0342 (9)0.0175 (7)0.0358 (9)0.0042 (6)0.0096 (7)0.0093 (6)
C10B0.0279 (8)0.0227 (7)0.0266 (8)0.0023 (6)0.0048 (6)0.0082 (6)
C11B0.0196 (6)0.0243 (7)0.0242 (7)0.0015 (5)0.0007 (5)0.0065 (6)
C12B0.0195 (6)0.0177 (6)0.0207 (6)0.0017 (5)0.0015 (5)0.0051 (5)
C13B0.0197 (6)0.0210 (6)0.0154 (6)0.0034 (5)0.0029 (5)0.0036 (5)
C14B0.0218 (6)0.0145 (6)0.0236 (7)0.0017 (5)0.0105 (5)0.0035 (5)
C15B0.0304 (8)0.0229 (7)0.0250 (7)0.0069 (6)0.0083 (6)0.0074 (6)
C16B0.0402 (10)0.0287 (8)0.0374 (10)0.0149 (7)0.0156 (8)0.0155 (7)
C17B0.0456 (11)0.0184 (7)0.0571 (13)0.0101 (7)0.0303 (10)0.0108 (7)
C18B0.0372 (10)0.0176 (7)0.0583 (13)0.0025 (6)0.0253 (9)0.0054 (7)
C19B0.0231 (7)0.0199 (7)0.0380 (9)0.0025 (5)0.0119 (7)0.0045 (6)
C20B0.0158 (6)0.0187 (6)0.0181 (6)0.0006 (4)0.0041 (5)0.0055 (5)
C21B0.0277 (7)0.0213 (7)0.0297 (8)0.0011 (6)0.0152 (6)0.0042 (6)
C22B0.0305 (8)0.0283 (8)0.0443 (10)0.0042 (6)0.0237 (8)0.0099 (7)
C23B0.0230 (7)0.0292 (8)0.0460 (10)0.0018 (6)0.0166 (7)0.0163 (7)
C24B0.0223 (7)0.0196 (7)0.0406 (9)0.0012 (5)0.0099 (7)0.0102 (6)
C25B0.0184 (6)0.0171 (6)0.0285 (7)0.0006 (5)0.0071 (5)0.0069 (5)
C26B0.0317 (9)0.0329 (9)0.0235 (8)0.0074 (7)0.0020 (6)0.0100 (6)
C27B0.0609 (11)0.0565 (10)0.0322 (7)0.0290 (9)0.0004 (7)0.0087 (7)
C28B0.0327 (10)0.0588 (13)0.0236 (8)0.0047 (9)0.0029 (7)0.0031 (8)
C29B0.0235 (7)0.0282 (8)0.0414 (10)0.0070 (6)0.0139 (7)0.0184 (7)
C30B0.0312 (7)0.0245 (6)0.0691 (11)0.0042 (5)0.0036 (7)0.0074 (6)
C31B0.0319 (7)0.0525 (9)0.0538 (9)0.0109 (6)0.0167 (7)0.0258 (8)
C32B0.0143 (6)0.0250 (7)0.0309 (8)0.0024 (5)0.0075 (5)0.0096 (6)
C33B0.0189 (7)0.0316 (9)0.0541 (12)0.0000 (6)0.0023 (8)0.0058 (8)
C34B0.0204 (7)0.0247 (8)0.0514 (11)0.0059 (6)0.0074 (7)0.0113 (7)
C35B0.0159 (6)0.0191 (6)0.0153 (6)0.0015 (5)0.0011 (5)0.0025 (4)
C36B0.0184 (6)0.0159 (6)0.0221 (6)0.0010 (5)0.0026 (5)0.0026 (5)
C37B0.0170 (6)0.0174 (6)0.0178 (6)0.0021 (5)0.0011 (5)0.0009 (5)
C38B0.0156 (6)0.0165 (6)0.0220 (6)0.0019 (4)0.0022 (5)0.0006 (5)
C39B0.0168 (6)0.0179 (6)0.0192 (6)0.0001 (5)0.0028 (5)0.0008 (5)
C40B0.0174 (6)0.0172 (6)0.0184 (6)0.0023 (5)0.0038 (5)0.0001 (5)
C41B0.0205 (6)0.0221 (6)0.0208 (6)0.0043 (5)0.0094 (5)0.0042 (5)
C42B0.0197 (6)0.0231 (7)0.0203 (6)0.0023 (5)0.0034 (5)0.0001 (5)
C43B0.0190 (6)0.0186 (6)0.0173 (6)0.0003 (5)0.0016 (5)0.0005 (5)
Geometric parameters (Å, º) top
Ru1A—C36A1.8731 (14)Ru1B—C36B1.8914 (15)
Ru1A—C37A1.9246 (16)Ru1B—C35B1.9292 (14)
Ru1A—C35A1.9386 (16)Ru1B—C37B1.9445 (14)
Ru1A—As1A2.4596 (2)Ru1B—As1B2.4297 (2)
Ru1A—Ru2A2.8781 (2)Ru1B—Ru3B2.8397 (2)
Ru1A—Ru3A2.9093 (2)Ru1B—Ru2B2.8685 (2)
Ru2A—C39A1.8945 (15)Ru2B—C39B1.8876 (15)
Ru2A—C40A1.9225 (15)Ru2B—C38B1.9315 (15)
Ru2A—C38A1.9343 (15)Ru2B—C40B1.9340 (15)
Ru2A—As2A2.4136 (2)Ru2B—As2B2.4223 (2)
Ru2A—Ru3A2.8106 (2)Ru2B—Ru3B2.8200 (2)
Ru3A—C42A1.8891 (15)Ru3B—C42B1.8955 (16)
Ru3A—C43A1.9298 (16)Ru3B—C41B1.9287 (15)
Ru3A—C41A1.9491 (16)Ru3B—C43B1.9359 (15)
Ru3A—P1A2.2926 (4)Ru3B—P1B2.2877 (4)
As1A—C7A1.9494 (14)As1B—C7B1.9404 (14)
As1A—C1A1.9532 (13)As1B—C1B1.9426 (14)
As1A—C13A1.9638 (13)As1B—C13B1.9711 (14)
As2A—C14A1.9363 (14)As2B—C14B1.9369 (14)
As2A—C20A1.9426 (14)As2B—C20B1.9470 (13)
As2A—C13A1.9626 (13)As2B—C13B1.9583 (15)
P1A—O11A1.5839 (11)P1B—O12B1.5860 (11)
P1A—O10A1.5935 (10)P1B—O11B1.5909 (11)
P1A—O12A1.6003 (11)P1B—O10B1.5997 (12)
O1A—C35A1.142 (2)O1B—C35B1.1464 (18)
O2A—C36A1.1505 (18)O2B—C36B1.1469 (18)
O3A—C37A1.149 (2)O3B—C37B1.1384 (18)
O4A—C38A1.1437 (19)O4B—C38B1.1486 (18)
O5A—C39A1.1441 (19)O5B—C39B1.1470 (18)
O6A—C40A1.1489 (19)O6B—C40B1.1452 (18)
O7A—C41A1.136 (2)O7B—C41B1.1426 (18)
O8A—C42A1.1410 (19)O8B—C42B1.143 (2)
O9A—C43A1.145 (2)O9B—C43B1.1406 (18)
O10A—C26A1.4584 (19)O10B—C26B1.456 (2)
O11A—C29A1.4697 (18)O11B—C29B1.4596 (19)
O12A—C32A1.4595 (18)O12B—C32B1.4658 (18)
C1A—C6A1.390 (2)C1B—C6B1.3887 (19)
C1A—C2A1.391 (2)C1B—C2B1.396 (2)
C2A—C3A1.396 (2)C2B—C3B1.390 (2)
C2A—H2AA0.9300C2B—H2BA0.9300
C3A—C4A1.383 (2)C3B—C4B1.391 (2)
C3A—H3AA0.9300C3B—H3BA0.9300
C4A—C5A1.379 (2)C4B—C5B1.385 (2)
C4A—H4AA0.9300C4B—H4BA0.9300
C5A—C6A1.397 (2)C5B—C6B1.395 (2)
C5A—H5AA0.9300C5B—H5BA0.9300
C6A—H6AA0.9300C6B—H6BA0.9300
C7A—C8A1.392 (2)C7B—C8B1.389 (2)
C7A—C12A1.395 (2)C7B—C12B1.392 (2)
C8A—C9A1.392 (2)C8B—C9B1.393 (2)
C8A—H8AA0.9300C8B—H8BA0.9300
C9A—C10A1.383 (2)C9B—C10B1.380 (2)
C9A—H9AA0.9300C9B—H9BA0.9300
C10A—C11A1.391 (2)C10B—C11B1.389 (2)
C10A—H10A0.9300C10B—H10B0.9300
C11A—C12A1.391 (2)C11B—C12B1.389 (2)
C11A—H11A0.9300C11B—H11B0.9300
C12A—H12A0.9300C12B—H12B0.9300
C13A—H13A0.9700C13B—H13C0.9700
C13A—H13B0.9700C13B—H13D0.9700
C14A—C19A1.391 (2)C14B—C19B1.390 (2)
C14A—C15A1.397 (2)C14B—C15B1.396 (2)
C15A—C16A1.388 (2)C15B—C16B1.393 (2)
C15A—H15A0.9300C15B—H15B0.9300
C16A—C17A1.387 (2)C16B—C17B1.389 (3)
C16A—H16A0.9300C16B—H16B0.9300
C17A—C18A1.385 (2)C17B—C18B1.380 (3)
C17A—H17A0.9300C17B—H17B0.9300
C18A—C19A1.393 (2)C18B—C19B1.394 (2)
C18A—H18A0.9300C18B—H18B0.9300
C19A—H19A0.9300C19B—H19B0.9300
C20A—C21A1.394 (2)C20B—C21B1.392 (2)
C20A—C25A1.394 (2)C20B—C25B1.393 (2)
C21A—C22A1.391 (2)C21B—C22B1.390 (2)
C21A—H21A0.9300C21B—H21B0.9300
C22A—C23A1.387 (3)C22B—C23B1.386 (3)
C22A—H22A0.9300C22B—H22B0.9300
C23A—C24A1.388 (3)C23B—C24B1.387 (2)
C23A—H23A0.9300C23B—H23B0.9300
C24A—C25A1.395 (2)C24B—C25B1.393 (2)
C24A—H24A0.9300C24B—H24B0.9300
C25A—H25A0.9300C25B—H25B0.9300
C26A—C28A1.506 (2)C26B—C27B1.507 (3)
C26A—C27A1.516 (3)C26B—C28B1.514 (3)
C26A—H26A0.9800C26B—H26B0.9800
C27A—H27A0.9600C27B—H27D0.9600
C27A—H27B0.9600C27B—H27E0.9600
C27A—H27C0.9600C27B—H27F0.9600
C28A—H28A0.9600C28B—H28D0.9600
C28A—H28B0.9600C28B—H28E0.9600
C28A—H28C0.9600C28B—H28F0.9600
C29A—C31A1.509 (3)C29B—C31B1.503 (3)
C29A—C30A1.509 (3)C29B—C30B1.509 (3)
C29A—H29A0.9800C29B—H29B0.9800
C30A—H30A0.9600C30B—H30D0.9600
C30A—H30B0.9600C30B—H30E0.9600
C30A—H30C0.9600C30B—H30F0.9600
C31A—H31A0.9600C31B—H31D0.9600
C31A—H31B0.9600C31B—H31E0.9600
C31A—H31C0.9600C31B—H31F0.9600
C32A—C33A1.511 (3)C32B—C33B1.499 (3)
C32A—C34A1.511 (3)C32B—C34B1.512 (2)
C32A—H32A0.9800C32B—H32B0.9800
C33A—H33A0.9600C33B—H33D0.9600
C33A—H33B0.9600C33B—H33E0.9600
C33A—H33C0.9600C33B—H33F0.9600
C34A—H34A0.9600C34B—H34D0.9600
C34A—H34B0.9600C34B—H34E0.9600
C34A—H34C0.9600C34B—H34F0.9600
C36A—Ru1A—C37A90.69 (6)C36B—Ru1B—C35B95.01 (6)
C36A—Ru1A—C35A87.60 (6)C36B—Ru1B—C37B88.31 (6)
C37A—Ru1A—C35A167.69 (6)C35B—Ru1B—C37B175.52 (6)
C36A—Ru1A—As1A98.87 (4)C36B—Ru1B—As1B102.23 (5)
C37A—Ru1A—As1A93.49 (4)C35B—Ru1B—As1B91.41 (4)
C35A—Ru1A—As1A98.82 (4)C37B—Ru1B—As1B90.82 (4)
C36A—Ru1A—Ru2A168.90 (4)C36B—Ru1B—Ru3B105.09 (5)
C37A—Ru1A—Ru2A83.29 (4)C35B—Ru1B—Ru3B90.48 (4)
C35A—Ru1A—Ru2A96.28 (4)C37B—Ru1B—Ru3B85.74 (4)
As1A—Ru1A—Ru2A90.831 (5)As1B—Ru1B—Ru3B152.336 (6)
C36A—Ru1A—Ru3A112.69 (4)C36B—Ru1B—Ru2B162.49 (5)
C37A—Ru1A—Ru3A89.28 (4)C35B—Ru1B—Ru2B78.46 (4)
C35A—Ru1A—Ru3A80.16 (4)C37B—Ru1B—Ru2B97.50 (4)
As1A—Ru1A—Ru3A148.290 (6)As1B—Ru1B—Ru2B94.217 (5)
Ru2A—Ru1A—Ru3A58.107 (4)Ru3B—Ru1B—Ru2B59.208 (4)
C39A—Ru2A—C40A92.15 (6)C39B—Ru2B—C38B91.23 (6)
C39A—Ru2A—C38A93.44 (6)C39B—Ru2B—C40B91.03 (6)
C40A—Ru2A—C38A173.78 (6)C38B—Ru2B—C40B175.25 (6)
C39A—Ru2A—As2A100.95 (5)C39B—Ru2B—As2B106.85 (4)
C40A—Ru2A—As2A85.40 (4)C38B—Ru2B—As2B89.22 (4)
C38A—Ru2A—As2A96.18 (4)C40B—Ru2B—As2B94.12 (4)
C39A—Ru2A—Ru3A100.87 (5)C39B—Ru2B—Ru3B103.35 (4)
C40A—Ru2A—Ru3A92.12 (4)C38B—Ru2B—Ru3B96.62 (4)
C38A—Ru2A—Ru3A84.17 (4)C40B—Ru2B—Ru3B78.79 (4)
As2A—Ru2A—Ru3A158.123 (6)As2B—Ru2B—Ru3B149.091 (6)
C39A—Ru2A—Ru1A159.78 (5)C39B—Ru2B—Ru1B158.69 (4)
C40A—Ru2A—Ru1A79.49 (4)C38B—Ru2B—Ru1B78.77 (4)
C38A—Ru2A—Ru1A94.34 (4)C40B—Ru2B—Ru1B97.72 (4)
As2A—Ru2A—Ru1A96.728 (5)As2B—Ru2B—Ru1B91.922 (5)
Ru3A—Ru2A—Ru1A61.503 (4)Ru3B—Ru2B—Ru1B59.889 (4)
C42A—Ru3A—C43A91.93 (7)C42B—Ru3B—C41B92.30 (7)
C42A—Ru3A—C41A90.06 (7)C42B—Ru3B—C43B94.97 (6)
C43A—Ru3A—C41A177.11 (6)C41B—Ru3B—C43B172.34 (6)
C42A—Ru3A—P1A99.67 (5)C42B—Ru3B—P1B104.57 (5)
C43A—Ru3A—P1A90.64 (4)C41B—Ru3B—P1B92.60 (4)
C41A—Ru3A—P1A86.96 (5)C43B—Ru3B—P1B87.93 (4)
C42A—Ru3A—Ru2A89.59 (4)C42B—Ru3B—Ru2B94.91 (5)
C43A—Ru3A—Ru2A96.93 (4)C41B—Ru3B—Ru2B97.33 (4)
C41A—Ru3A—Ru2A85.17 (4)C43B—Ru3B—Ru2B79.65 (4)
P1A—Ru3A—Ru2A167.852 (10)P1B—Ru3B—Ru2B157.752 (11)
C42A—Ru3A—Ru1A149.34 (5)C42B—Ru3B—Ru1B154.24 (5)
C43A—Ru3A—Ru1A86.14 (5)C41B—Ru3B—Ru1B82.95 (5)
C41A—Ru3A—Ru1A93.21 (4)C43B—Ru3B—Ru1B89.44 (4)
P1A—Ru3A—Ru1A110.938 (10)P1B—Ru3B—Ru1B100.939 (10)
Ru2A—Ru3A—Ru1A60.390 (4)Ru2B—Ru3B—Ru1B60.904 (4)
C7A—As1A—C1A96.02 (6)C7B—As1B—C1B102.58 (6)
C7A—As1A—C13A103.29 (6)C7B—As1B—C13B101.61 (6)
C1A—As1A—C13A100.05 (6)C1B—As1B—C13B100.11 (6)
C7A—As1A—Ru1A117.13 (4)C7B—As1B—Ru1B115.57 (4)
C1A—As1A—Ru1A120.27 (4)C1B—As1B—Ru1B119.61 (4)
C13A—As1A—Ru1A116.55 (4)C13B—As1B—Ru1B114.69 (4)
C14A—As2A—C20A102.99 (6)C14B—As2B—C20B99.33 (6)
C14A—As2A—C13A101.98 (6)C14B—As2B—C13B104.39 (7)
C20A—As2A—C13A102.67 (6)C20B—As2B—C13B100.91 (6)
C14A—As2A—Ru2A114.16 (4)C14B—As2B—Ru2B119.98 (4)
C20A—As2A—Ru2A122.44 (4)C20B—As2B—Ru2B118.26 (4)
C13A—As2A—Ru2A110.20 (4)C13B—As2B—Ru2B111.40 (4)
O11A—P1A—O10A100.18 (6)O12B—P1B—O11B100.20 (6)
O11A—P1A—O12A107.60 (6)O12B—P1B—O10B106.00 (7)
O10A—P1A—O12A98.03 (6)O11B—P1B—O10B98.48 (7)
O11A—P1A—Ru3A110.48 (4)O12B—P1B—Ru3B109.20 (4)
O10A—P1A—Ru3A117.33 (4)O11B—P1B—Ru3B121.52 (5)
O12A—P1A—Ru3A120.75 (4)O10B—P1B—Ru3B118.99 (5)
C26A—O10A—P1A123.23 (10)C26B—O10B—P1B124.91 (11)
C29A—O11A—P1A125.30 (10)C29B—O11B—P1B123.45 (11)
C32A—O12A—P1A123.41 (9)C32B—O12B—P1B122.81 (9)
C6A—C1A—C2A119.26 (13)C6B—C1B—C2B119.84 (13)
C6A—C1A—As1A121.58 (10)C6B—C1B—As1B120.55 (10)
C2A—C1A—As1A118.78 (11)C2B—C1B—As1B119.44 (10)
C1A—C2A—C3A119.99 (15)C3B—C2B—C1B120.03 (14)
C1A—C2A—H2AA120.0C3B—C2B—H2BA120.0
C3A—C2A—H2AA120.0C1B—C2B—H2BA120.0
C4A—C3A—C2A120.36 (15)C2B—C3B—C4B119.92 (14)
C4A—C3A—H3AA119.8C2B—C3B—H3BA120.0
C2A—C3A—H3AA119.8C4B—C3B—H3BA120.0
C5A—C4A—C3A119.95 (14)C5B—C4B—C3B120.13 (14)
C5A—C4A—H4AA120.0C5B—C4B—H4BA119.9
C3A—C4A—H4AA120.0C3B—C4B—H4BA119.9
C4A—C5A—C6A120.02 (15)C4B—C5B—C6B120.12 (14)
C4A—C5A—H5AA120.0C4B—C5B—H5BA119.9
C6A—C5A—H5AA120.0C6B—C5B—H5BA119.9
C1A—C6A—C5A120.39 (14)C1B—C6B—C5B119.93 (13)
C1A—C6A—H6AA119.8C1B—C6B—H6BA120.0
C5A—C6A—H6AA119.8C5B—C6B—H6BA120.0
C8A—C7A—C12A119.20 (13)C8B—C7B—C12B119.57 (13)
C8A—C7A—As1A122.40 (11)C8B—C7B—As1B120.75 (11)
C12A—C7A—As1A118.18 (10)C12B—C7B—As1B119.22 (10)
C9A—C8A—C7A120.24 (14)C7B—C8B—C9B119.95 (15)
C9A—C8A—H8AA119.9C7B—C8B—H8BA120.0
C7A—C8A—H8AA119.9C9B—C8B—H8BA120.0
C10A—C9A—C8A120.54 (14)C10B—C9B—C8B120.52 (15)
C10A—C9A—H9AA119.7C10B—C9B—H9BA119.7
C8A—C9A—H9AA119.7C8B—C9B—H9BA119.7
C9A—C10A—C11A119.50 (14)C9B—C10B—C11B119.56 (15)
C9A—C10A—H10A120.3C9B—C10B—H10B120.2
C11A—C10A—H10A120.3C11B—C10B—H10B120.2
C12A—C11A—C10A120.29 (14)C12B—C11B—C10B120.33 (15)
C12A—C11A—H11A119.9C12B—C11B—H11B119.8
C10A—C11A—H11A119.9C10B—C11B—H11B119.8
C11A—C12A—C7A120.23 (13)C11B—C12B—C7B120.06 (13)
C11A—C12A—H12A119.9C11B—C12B—H12B120.0
C7A—C12A—H12A119.9C7B—C12B—H12B120.0
As2A—C13A—As1A110.18 (6)As2B—C13B—As1B111.93 (7)
As2A—C13A—H13A109.6As2B—C13B—H13C109.2
As1A—C13A—H13A109.6As1B—C13B—H13C109.2
As2A—C13A—H13B109.6As2B—C13B—H13D109.2
As1A—C13A—H13B109.6As1B—C13B—H13D109.2
H13A—C13A—H13B108.1H13C—C13B—H13D107.9
C19A—C14A—C15A119.37 (13)C19B—C14B—C15B119.88 (14)
C19A—C14A—As2A123.08 (10)C19B—C14B—As2B123.26 (12)
C15A—C14A—As2A117.45 (11)C15B—C14B—As2B116.72 (12)
C16A—C15A—C14A120.40 (14)C16B—C15B—C14B120.07 (17)
C16A—C15A—H15A119.8C16B—C15B—H15B120.0
C14A—C15A—H15A119.8C14B—C15B—H15B120.0
C17A—C16A—C15A119.87 (14)C17B—C16B—C15B119.63 (19)
C17A—C16A—H16A120.1C17B—C16B—H16B120.2
C15A—C16A—H16A120.1C15B—C16B—H16B120.2
C18A—C17A—C16A120.07 (14)C18B—C17B—C16B120.38 (16)
C18A—C17A—H17A120.0C18B—C17B—H17B119.8
C16A—C17A—H17A120.0C16B—C17B—H17B119.8
C17A—C18A—C19A120.28 (14)C17B—C18B—C19B120.30 (19)
C17A—C18A—H18A119.9C17B—C18B—H18B119.8
C19A—C18A—H18A119.9C19B—C18B—H18B119.8
C14A—C19A—C18A120.00 (13)C14B—C19B—C18B119.70 (18)
C14A—C19A—H19A120.0C14B—C19B—H19B120.1
C18A—C19A—H19A120.0C18B—C19B—H19B120.1
C21A—C20A—C25A119.66 (14)C21B—C20B—C25B119.71 (13)
C21A—C20A—As2A118.43 (11)C21B—C20B—As2B120.78 (11)
C25A—C20A—As2A121.91 (11)C25B—C20B—As2B119.48 (11)
C22A—C21A—C20A120.19 (15)C22B—C21B—C20B120.10 (15)
C22A—C21A—H21A119.9C22B—C21B—H21B119.9
C20A—C21A—H21A119.9C20B—C21B—H21B119.9
C23A—C22A—C21A120.07 (16)C23B—C22B—C21B120.21 (16)
C23A—C22A—H22A120.0C23B—C22B—H22B119.9
C21A—C22A—H22A120.0C21B—C22B—H22B119.9
C24A—C23A—C22A120.01 (16)C22B—C23B—C24B119.85 (15)
C24A—C23A—H23A120.0C22B—C23B—H23B120.1
C22A—C23A—H23A120.0C24B—C23B—H23B120.1
C23A—C24A—C25A120.20 (15)C23B—C24B—C25B120.28 (15)
C23A—C24A—H24A119.9C23B—C24B—H24B119.9
C25A—C24A—H24A119.9C25B—C24B—H24B119.9
C20A—C25A—C24A119.85 (15)C24B—C25B—C20B119.84 (14)
C20A—C25A—H25A120.1C24B—C25B—H25B120.1
C24A—C25A—H25A120.1C20B—C25B—H25B120.1
O10A—C26A—C28A106.24 (15)O10B—C26B—C27B108.21 (17)
O10A—C26A—C27A110.15 (14)O10B—C26B—C28B107.62 (17)
C28A—C26A—C27A113.22 (17)C27B—C26B—C28B112.35 (16)
O10A—C26A—H26A109.0O10B—C26B—H26B109.5
C28A—C26A—H26A109.0C27B—C26B—H26B109.5
C27A—C26A—H26A109.0C28B—C26B—H26B109.5
C26A—C27A—H27A109.5C26B—C27B—H27D109.5
C26A—C27A—H27B109.5C26B—C27B—H27E109.5
H27A—C27A—H27B109.5H27D—C27B—H27E109.5
C26A—C27A—H27C109.5C26B—C27B—H27F109.5
H27A—C27A—H27C109.5H27D—C27B—H27F109.5
H27B—C27A—H27C109.5H27E—C27B—H27F109.5
C26A—C28A—H28A109.5C26B—C28B—H28D109.5
C26A—C28A—H28B109.5C26B—C28B—H28E109.5
H28A—C28A—H28B109.5H28D—C28B—H28E109.5
C26A—C28A—H28C109.5C26B—C28B—H28F109.5
H28A—C28A—H28C109.5H28D—C28B—H28F109.5
H28B—C28A—H28C109.5H28E—C28B—H28F109.5
O11A—C29A—C31A106.39 (13)O11B—C29B—C31B108.60 (14)
O11A—C29A—C30A108.61 (14)O11B—C29B—C30B106.35 (17)
C31A—C29A—C30A112.14 (17)C31B—C29B—C30B112.28 (17)
O11A—C29A—H29A109.9O11B—C29B—H29B109.8
C31A—C29A—H29A109.9C31B—C29B—H29B109.8
C30A—C29A—H29A109.9C30B—C29B—H29B109.8
C29A—C30A—H30A109.5C29B—C30B—H30D109.5
C29A—C30A—H30B109.5C29B—C30B—H30E109.5
H30A—C30A—H30B109.5H30D—C30B—H30E109.5
C29A—C30A—H30C109.5C29B—C30B—H30F109.5
H30A—C30A—H30C109.5H30D—C30B—H30F109.5
H30B—C30A—H30C109.5H30E—C30B—H30F109.5
C29A—C31A—H31A109.5C29B—C31B—H31D109.5
C29A—C31A—H31B109.5C29B—C31B—H31E109.5
H31A—C31A—H31B109.5H31D—C31B—H31E109.5
C29A—C31A—H31C109.5C29B—C31B—H31F109.5
H31A—C31A—H31C109.5H31D—C31B—H31F109.5
H31B—C31A—H31C109.5H31E—C31B—H31F109.5
O12A—C32A—C33A108.69 (13)O12B—C32B—C33B109.34 (14)
O12A—C32A—C34A106.76 (13)O12B—C32B—C34B106.40 (12)
C33A—C32A—C34A113.43 (15)C33B—C32B—C34B112.50 (15)
O12A—C32A—H32A109.3O12B—C32B—H32B109.5
C33A—C32A—H32A109.3C33B—C32B—H32B109.5
C34A—C32A—H32A109.3C34B—C32B—H32B109.5
C32A—C33A—H33A109.5C32B—C33B—H33D109.5
C32A—C33A—H33B109.5C32B—C33B—H33E109.5
H33A—C33A—H33B109.5H33D—C33B—H33E109.5
C32A—C33A—H33C109.5C32B—C33B—H33F109.5
H33A—C33A—H33C109.5H33D—C33B—H33F109.5
H33B—C33A—H33C109.5H33E—C33B—H33F109.5
C32A—C34A—H34A109.5C32B—C34B—H34D109.5
C32A—C34A—H34B109.5C32B—C34B—H34E109.5
H34A—C34A—H34B109.5H34D—C34B—H34E109.5
C32A—C34A—H34C109.5C32B—C34B—H34F109.5
H34A—C34A—H34C109.5H34D—C34B—H34F109.5
H34B—C34A—H34C109.5H34E—C34B—H34F109.5
O1A—C35A—Ru1A171.58 (13)O1B—C35B—Ru1B174.05 (13)
O2A—C36A—Ru1A177.84 (13)O2B—C36B—Ru1B179.52 (15)
O3A—C37A—Ru1A172.82 (13)O3B—C37B—Ru1B173.51 (13)
O4A—C38A—Ru2A175.30 (13)O4B—C38B—Ru2B173.16 (13)
O5A—C39A—Ru2A176.23 (15)O5B—C39B—Ru2B176.98 (13)
O6A—C40A—Ru2A172.77 (13)O6B—C40B—Ru2B173.57 (13)
O7A—C41A—Ru3A173.30 (13)O7B—C41B—Ru3B174.79 (14)
O8A—C42A—Ru3A178.35 (14)O8B—C42B—Ru3B175.89 (14)
O9A—C43A—Ru3A172.86 (13)O9B—C43B—Ru3B174.57 (13)
C36A—Ru1A—Ru2A—C39A67.2 (3)C36B—Ru1B—Ru2B—C39B69.33 (19)
C37A—Ru1A—Ru2A—C39A124.74 (14)C35B—Ru1B—Ru2B—C39B138.77 (13)
C35A—Ru1A—Ru2A—C39A42.87 (14)C37B—Ru1B—Ru2B—C39B39.26 (13)
As1A—Ru1A—Ru2A—C39A141.84 (14)As1B—Ru1B—Ru2B—C39B130.64 (12)
Ru3A—Ru1A—Ru2A—C39A31.40 (14)Ru3B—Ru1B—Ru2B—C39B41.20 (12)
C36A—Ru1A—Ru2A—C40A134.0 (2)C36B—Ru1B—Ru2B—C38B132.67 (15)
C37A—Ru1A—Ru2A—C40A168.41 (6)C35B—Ru1B—Ru2B—C38B157.89 (6)
C35A—Ru1A—Ru2A—C40A23.98 (6)C37B—Ru1B—Ru2B—C38B24.08 (6)
As1A—Ru1A—Ru2A—C40A74.99 (4)As1B—Ru1B—Ru2B—C38B67.31 (5)
Ru3A—Ru1A—Ru2A—C40A98.25 (4)Ru3B—Ru1B—Ru2B—C38B104.54 (5)
C36A—Ru1A—Ru2A—C38A45.2 (2)C36B—Ru1B—Ru2B—C40B44.09 (15)
C37A—Ru1A—Ru2A—C38A12.38 (6)C35B—Ru1B—Ru2B—C40B25.35 (6)
C35A—Ru1A—Ru2A—C38A155.23 (6)C37B—Ru1B—Ru2B—C40B152.67 (6)
As1A—Ru1A—Ru2A—C38A105.80 (4)As1B—Ru1B—Ru2B—C40B115.94 (4)
Ru3A—Ru1A—Ru2A—C38A80.96 (4)Ru3B—Ru1B—Ru2B—C40B72.22 (4)
C36A—Ru1A—Ru2A—As2A142.0 (2)C36B—Ru1B—Ru2B—As2B138.51 (15)
C37A—Ru1A—Ru2A—As2A84.37 (4)C35B—Ru1B—Ru2B—As2B69.07 (4)
C35A—Ru1A—Ru2A—As2A108.01 (4)C37B—Ru1B—Ru2B—As2B112.91 (4)
As1A—Ru1A—Ru2A—As2A9.043 (7)As1B—Ru1B—Ru2B—As2B21.517 (6)
Ru3A—Ru1A—Ru2A—As2A177.713 (6)Ru3B—Ru1B—Ru2B—As2B166.638 (6)
C36A—Ru1A—Ru2A—Ru3A35.8 (2)C36B—Ru1B—Ru2B—Ru3B28.13 (15)
C37A—Ru1A—Ru2A—Ru3A93.34 (4)C35B—Ru1B—Ru2B—Ru3B97.57 (4)
C35A—Ru1A—Ru2A—Ru3A74.27 (4)C37B—Ru1B—Ru2B—Ru3B80.46 (4)
As1A—Ru1A—Ru2A—Ru3A173.243 (6)As1B—Ru1B—Ru2B—Ru3B171.845 (6)
C39A—Ru2A—Ru3A—C42A17.12 (7)C39B—Ru2B—Ru3B—C42B23.60 (7)
C40A—Ru2A—Ru3A—C42A109.72 (7)C38B—Ru2B—Ru3B—C42B116.45 (6)
C38A—Ru2A—Ru3A—C42A75.28 (7)C40B—Ru2B—Ru3B—C42B64.79 (6)
As2A—Ru2A—Ru3A—C42A167.34 (5)As2B—Ru2B—Ru3B—C42B143.93 (5)
Ru1A—Ru2A—Ru3A—C42A173.44 (5)Ru1B—Ru2B—Ru3B—C42B170.65 (5)
C39A—Ru2A—Ru3A—C43A109.02 (7)C39B—Ru2B—Ru3B—C41B116.55 (7)
C40A—Ru2A—Ru3A—C43A158.38 (6)C38B—Ru2B—Ru3B—C41B150.60 (7)
C38A—Ru2A—Ru3A—C43A16.62 (6)C40B—Ru2B—Ru3B—C41B28.17 (7)
As2A—Ru2A—Ru3A—C43A75.44 (5)As2B—Ru2B—Ru3B—C41B50.97 (5)
Ru1A—Ru2A—Ru3A—C43A81.54 (5)Ru1B—Ru2B—Ru3B—C41B77.69 (5)
C39A—Ru2A—Ru3A—C41A72.97 (7)C39B—Ru2B—Ru3B—C43B70.57 (6)
C40A—Ru2A—Ru3A—C41A19.63 (6)C38B—Ru2B—Ru3B—C43B22.28 (6)
C38A—Ru2A—Ru3A—C41A165.37 (6)C40B—Ru2B—Ru3B—C43B158.96 (6)
As2A—Ru2A—Ru3A—C41A102.57 (5)As2B—Ru2B—Ru3B—C43B121.90 (5)
Ru1A—Ru2A—Ru3A—C41A96.47 (4)Ru1B—Ru2B—Ru3B—C43B95.18 (4)
C39A—Ru2A—Ru3A—P1A122.82 (7)C39B—Ru2B—Ru3B—P1B127.65 (5)
C40A—Ru2A—Ru3A—P1A30.21 (7)C38B—Ru2B—Ru3B—P1B34.80 (5)
C38A—Ru2A—Ru3A—P1A144.78 (6)C40B—Ru2B—Ru3B—P1B143.96 (5)
As2A—Ru2A—Ru3A—P1A52.72 (6)As2B—Ru2B—Ru3B—P1B64.83 (3)
Ru1A—Ru2A—Ru3A—P1A46.62 (5)Ru1B—Ru2B—Ru3B—P1B38.11 (3)
C39A—Ru2A—Ru3A—Ru1A169.44 (5)C39B—Ru2B—Ru3B—Ru1B165.76 (5)
C40A—Ru2A—Ru3A—Ru1A76.83 (4)C38B—Ru2B—Ru3B—Ru1B72.91 (4)
C38A—Ru2A—Ru3A—Ru1A98.16 (4)C40B—Ru2B—Ru3B—Ru1B105.85 (4)
As2A—Ru2A—Ru3A—Ru1A6.104 (16)As2B—Ru2B—Ru3B—Ru1B26.720 (11)
C36A—Ru1A—Ru3A—C42A160.05 (11)C36B—Ru1B—Ru3B—C42B149.67 (12)
C37A—Ru1A—Ru3A—C42A69.60 (11)C35B—Ru1B—Ru3B—C42B54.35 (12)
C35A—Ru1A—Ru3A—C42A116.76 (11)C37B—Ru1B—Ru3B—C42B123.23 (12)
As1A—Ru1A—Ru3A—C42A25.88 (10)As1B—Ru1B—Ru3B—C42B39.62 (11)
Ru2A—Ru1A—Ru3A—C42A12.94 (10)Ru2B—Ru1B—Ru3B—C42B21.88 (11)
C36A—Ru1A—Ru3A—C43A72.77 (7)C36B—Ru1B—Ru3B—C41B69.08 (6)
C37A—Ru1A—Ru3A—C43A17.68 (6)C35B—Ru1B—Ru3B—C41B26.24 (6)
C35A—Ru1A—Ru3A—C43A155.96 (6)C37B—Ru1B—Ru3B—C41B156.18 (6)
As1A—Ru1A—Ru3A—C43A113.15 (5)As1B—Ru1B—Ru3B—C41B120.21 (5)
Ru2A—Ru1A—Ru3A—C43A100.22 (4)Ru2B—Ru1B—Ru3B—C41B102.47 (4)
C36A—Ru1A—Ru3A—C41A104.41 (7)C36B—Ru1B—Ru3B—C43B110.00 (6)
C37A—Ru1A—Ru3A—C41A165.14 (6)C35B—Ru1B—Ru3B—C43B154.68 (6)
C35A—Ru1A—Ru3A—C41A21.22 (6)C37B—Ru1B—Ru3B—C43B22.91 (6)
As1A—Ru1A—Ru3A—C41A69.67 (5)As1B—Ru1B—Ru3B—C43B60.71 (5)
Ru2A—Ru1A—Ru3A—C41A82.60 (5)Ru2B—Ru1B—Ru3B—C43B78.45 (4)
C36A—Ru1A—Ru3A—P1A16.43 (5)C36B—Ru1B—Ru3B—P1B22.22 (5)
C37A—Ru1A—Ru3A—P1A106.88 (4)C35B—Ru1B—Ru3B—P1B117.54 (4)
C35A—Ru1A—Ru3A—P1A66.76 (4)C37B—Ru1B—Ru3B—P1B64.88 (4)
As1A—Ru1A—Ru3A—P1A157.642 (14)As1B—Ru1B—Ru3B—P1B148.491 (15)
Ru2A—Ru1A—Ru3A—P1A170.574 (12)Ru2B—Ru1B—Ru3B—P1B166.232 (10)
C36A—Ru1A—Ru3A—Ru2A172.99 (5)C36B—Ru1B—Ru3B—Ru2B171.55 (4)
C37A—Ru1A—Ru3A—Ru2A82.55 (4)C35B—Ru1B—Ru3B—Ru2B76.23 (4)
C35A—Ru1A—Ru3A—Ru2A103.81 (4)C37B—Ru1B—Ru3B—Ru2B101.35 (4)
As1A—Ru1A—Ru3A—Ru2A12.933 (11)As1B—Ru1B—Ru3B—Ru2B17.741 (12)
C36A—Ru1A—As1A—C7A64.92 (7)C36B—Ru1B—As1B—C7B72.03 (6)
C37A—Ru1A—As1A—C7A26.33 (6)C35B—Ru1B—As1B—C7B167.47 (6)
C35A—Ru1A—As1A—C7A153.85 (6)C37B—Ru1B—As1B—C7B16.41 (6)
Ru2A—Ru1A—As1A—C7A109.66 (5)Ru3B—Ru1B—As1B—C7B98.78 (5)
Ru3A—Ru1A—As1A—C7A120.61 (5)Ru2B—Ru1B—As1B—C7B114.00 (5)
C36A—Ru1A—As1A—C1A50.90 (7)C36B—Ru1B—As1B—C1B51.31 (7)
C37A—Ru1A—As1A—C1A142.14 (6)C35B—Ru1B—As1B—C1B44.12 (6)
C35A—Ru1A—As1A—C1A38.04 (6)C37B—Ru1B—As1B—C1B139.76 (6)
Ru2A—Ru1A—As1A—C1A134.53 (5)Ru3B—Ru1B—As1B—C1B137.87 (5)
Ru3A—Ru1A—As1A—C1A123.57 (5)Ru2B—Ru1B—As1B—C1B122.65 (5)
C36A—Ru1A—As1A—C13A172.07 (7)C36B—Ru1B—As1B—C13B170.23 (7)
C37A—Ru1A—As1A—C13A96.68 (6)C35B—Ru1B—As1B—C13B74.79 (6)
C35A—Ru1A—As1A—C13A83.14 (6)C37B—Ru1B—As1B—C13B101.32 (6)
Ru2A—Ru1A—As1A—C13A13.35 (5)Ru3B—Ru1B—As1B—C13B18.95 (5)
Ru3A—Ru1A—As1A—C13A2.39 (5)Ru2B—Ru1B—As1B—C13B3.74 (5)
C39A—Ru2A—As2A—C14A25.81 (7)C39B—Ru2B—As2B—C14B106.20 (7)
C40A—Ru2A—As2A—C14A65.50 (6)C38B—Ru2B—As2B—C14B162.75 (7)
C38A—Ru2A—As2A—C14A120.54 (6)C40B—Ru2B—As2B—C14B13.86 (7)
Ru3A—Ru2A—As2A—C14A149.73 (5)Ru3B—Ru2B—As2B—C14B61.11 (6)
Ru1A—Ru2A—As2A—C14A144.33 (5)Ru1B—Ru2B—As2B—C14B84.02 (5)
C39A—Ru2A—As2A—C20A99.44 (7)C39B—Ru2B—As2B—C20B15.31 (7)
C40A—Ru2A—As2A—C20A169.26 (6)C38B—Ru2B—As2B—C20B75.74 (6)
C38A—Ru2A—As2A—C20A4.70 (6)C40B—Ru2B—As2B—C20B107.64 (6)
Ru3A—Ru2A—As2A—C20A85.03 (5)Ru3B—Ru2B—As2B—C20B177.38 (5)
Ru1A—Ru2A—As2A—C20A90.43 (5)Ru1B—Ru2B—As2B—C20B154.48 (5)
C39A—Ru2A—As2A—C13A139.85 (7)C39B—Ru2B—As2B—C13B131.51 (6)
C40A—Ru2A—As2A—C13A48.54 (6)C38B—Ru2B—As2B—C13B40.46 (6)
C38A—Ru2A—As2A—C13A125.42 (6)C40B—Ru2B—As2B—C13B136.16 (6)
Ru3A—Ru2A—As2A—C13A35.69 (5)Ru3B—Ru2B—As2B—C13B61.18 (5)
Ru1A—Ru2A—As2A—C13A30.29 (5)Ru1B—Ru2B—As2B—C13B38.28 (5)
C42A—Ru3A—P1A—O11A116.15 (7)C42B—Ru3B—P1B—O12B127.58 (7)
C43A—Ru3A—P1A—O11A151.78 (6)C41B—Ru3B—P1B—O12B139.36 (7)
C41A—Ru3A—P1A—O11A26.61 (6)C43B—Ru3B—P1B—O12B32.98 (7)
Ru2A—Ru3A—P1A—O11A23.09 (8)Ru2B—Ru3B—P1B—O12B22.73 (6)
Ru1A—Ru3A—P1A—O11A65.67 (5)Ru1B—Ru3B—P1B—O12B56.05 (5)
C42A—Ru3A—P1A—O10A2.23 (7)C42B—Ru3B—P1B—O11B116.72 (7)
C43A—Ru3A—P1A—O10A94.30 (7)C41B—Ru3B—P1B—O11B23.67 (7)
C41A—Ru3A—P1A—O10A87.30 (7)C43B—Ru3B—P1B—O11B148.68 (7)
Ru2A—Ru3A—P1A—O10A137.01 (6)Ru2B—Ru3B—P1B—O11B92.97 (6)
Ru1A—Ru3A—P1A—O10A179.58 (5)Ru1B—Ru3B—P1B—O11B59.65 (5)
C42A—Ru3A—P1A—O12A117.14 (7)C42B—Ru3B—P1B—O10B5.80 (8)
C43A—Ru3A—P1A—O12A25.07 (7)C41B—Ru3B—P1B—O10B98.85 (7)
C41A—Ru3A—P1A—O12A153.32 (7)C43B—Ru3B—P1B—O10B88.80 (7)
Ru2A—Ru3A—P1A—O12A103.62 (7)Ru2B—Ru3B—P1B—O10B144.51 (6)
Ru1A—Ru3A—P1A—O12A61.04 (5)Ru1B—Ru3B—P1B—O10B177.83 (6)
O11A—P1A—O10A—C26A179.62 (11)O12B—P1B—O10B—C26B89.98 (14)
O12A—P1A—O10A—C26A70.77 (12)O11B—P1B—O10B—C26B166.78 (13)
Ru3A—P1A—O10A—C26A60.09 (12)Ru3B—P1B—O10B—C26B33.39 (15)
O10A—P1A—O11A—C29A33.16 (13)O12B—P1B—O11B—C29B166.45 (12)
O12A—P1A—O11A—C29A68.72 (12)O10B—P1B—O11B—C29B58.39 (13)
Ru3A—P1A—O11A—C29A157.56 (10)Ru3B—P1B—O11B—C29B73.39 (13)
O11A—P1A—O12A—C32A79.79 (12)O11B—P1B—O12B—C32B50.58 (13)
O10A—P1A—O12A—C32A176.79 (12)O10B—P1B—O12B—C32B51.39 (13)
Ru3A—P1A—O12A—C32A48.22 (13)Ru3B—P1B—O12B—C32B179.28 (11)
C7A—As1A—C1A—C6A83.82 (13)C7B—As1B—C1B—C6B132.60 (12)
C13A—As1A—C1A—C6A20.86 (14)C13B—As1B—C1B—C6B122.97 (12)
Ru1A—As1A—C1A—C6A149.85 (11)Ru1B—As1B—C1B—C6B3.14 (13)
C7A—As1A—C1A—C2A89.09 (12)C7B—As1B—C1B—C2B52.11 (13)
C13A—As1A—C1A—C2A166.23 (12)C13B—As1B—C1B—C2B52.32 (13)
Ru1A—As1A—C1A—C2A37.25 (13)Ru1B—As1B—C1B—C2B178.43 (10)
C6A—C1A—C2A—C3A0.7 (2)C6B—C1B—C2B—C3B1.5 (2)
As1A—C1A—C2A—C3A172.34 (13)As1B—C1B—C2B—C3B173.85 (12)
C1A—C2A—C3A—C4A0.9 (3)C1B—C2B—C3B—C4B0.0 (2)
C2A—C3A—C4A—C5A0.2 (3)C2B—C3B—C4B—C5B1.5 (2)
C3A—C4A—C5A—C6A1.4 (3)C3B—C4B—C5B—C6B1.4 (2)
C2A—C1A—C6A—C5A0.5 (2)C2B—C1B—C6B—C5B1.6 (2)
As1A—C1A—C6A—C5A173.35 (13)As1B—C1B—C6B—C5B173.71 (11)
C4A—C5A—C6A—C1A1.6 (3)C4B—C5B—C6B—C1B0.1 (2)
C1A—As1A—C7A—C8A75.93 (13)C1B—As1B—C7B—C8B145.53 (14)
C13A—As1A—C7A—C8A25.92 (14)C13B—As1B—C7B—C8B42.27 (15)
Ru1A—As1A—C7A—C8A155.49 (11)Ru1B—As1B—C7B—C8B82.55 (14)
C1A—As1A—C7A—C12A98.57 (12)C1B—As1B—C7B—C12B42.33 (13)
C13A—As1A—C7A—C12A159.59 (11)C13B—As1B—C7B—C12B145.60 (12)
Ru1A—As1A—C7A—C12A30.01 (13)Ru1B—As1B—C7B—C12B89.59 (12)
C12A—C7A—C8A—C9A0.3 (2)C12B—C7B—C8B—C9B1.0 (3)
As1A—C7A—C8A—C9A174.73 (12)As1B—C7B—C8B—C9B173.15 (15)
C7A—C8A—C9A—C10A0.1 (3)C7B—C8B—C9B—C10B0.3 (3)
C8A—C9A—C10A—C11A0.2 (3)C8B—C9B—C10B—C11B0.6 (3)
C9A—C10A—C11A—C12A0.3 (2)C9B—C10B—C11B—C12B0.9 (3)
C10A—C11A—C12A—C7A0.1 (2)C10B—C11B—C12B—C7B0.1 (2)
C8A—C7A—C12A—C11A0.2 (2)C8B—C7B—C12B—C11B0.8 (2)
As1A—C7A—C12A—C11A174.87 (12)As1B—C7B—C12B—C11B173.03 (12)
C14A—As2A—C13A—As1A165.10 (7)C14B—As2B—C13B—As1B88.38 (8)
C20A—As2A—C13A—As1A88.44 (8)C20B—As2B—C13B—As1B168.92 (7)
Ru2A—As2A—C13A—As1A43.52 (7)Ru2B—As2B—C13B—As1B42.52 (8)
C7A—As1A—C13A—As2A93.09 (7)C7B—As1B—C13B—As2B147.51 (7)
C1A—As1A—C13A—As2A168.20 (7)C1B—As1B—C13B—As2B107.27 (8)
Ru1A—As1A—C13A—As2A36.83 (8)Ru1B—As1B—C13B—As2B22.10 (9)
C20A—As2A—C14A—C19A108.23 (13)C20B—As2B—C14B—C19B107.22 (13)
C13A—As2A—C14A—C19A2.02 (13)C13B—As2B—C14B—C19B3.33 (14)
Ru2A—As2A—C14A—C19A116.80 (11)Ru2B—As2B—C14B—C19B122.33 (12)
C20A—As2A—C14A—C15A75.49 (12)C20B—As2B—C14B—C15B68.55 (12)
C13A—As2A—C14A—C15A178.31 (12)C13B—As2B—C14B—C15B172.44 (11)
Ru2A—As2A—C14A—C15A59.49 (12)Ru2B—As2B—C14B—C15B61.90 (12)
C19A—C14A—C15A—C16A1.1 (2)C19B—C14B—C15B—C16B1.5 (2)
As2A—C14A—C15A—C16A177.56 (13)As2B—C14B—C15B—C16B174.46 (13)
C14A—C15A—C16A—C17A0.7 (3)C14B—C15B—C16B—C17B1.0 (3)
C15A—C16A—C17A—C18A0.3 (3)C15B—C16B—C17B—C18B0.5 (3)
C16A—C17A—C18A—C19A0.8 (2)C16B—C17B—C18B—C19B1.5 (3)
C15A—C14A—C19A—C18A0.6 (2)C15B—C14B—C19B—C18B0.5 (2)
As2A—C14A—C19A—C18A176.79 (11)As2B—C14B—C19B—C18B175.18 (13)
C17A—C18A—C19A—C14A0.4 (2)C17B—C18B—C19B—C14B1.0 (3)
C14A—As2A—C20A—C21A174.38 (11)C14B—As2B—C20B—C21B18.73 (14)
C13A—As2A—C20A—C21A79.94 (12)C13B—As2B—C20B—C21B88.01 (14)
Ru2A—As2A—C20A—C21A44.27 (13)Ru2B—As2B—C20B—C21B150.28 (12)
C14A—As2A—C20A—C25A5.91 (13)C14B—As2B—C20B—C25B159.07 (12)
C13A—As2A—C20A—C25A99.77 (12)C13B—As2B—C20B—C25B94.18 (13)
Ru2A—As2A—C20A—C25A136.02 (10)Ru2B—As2B—C20B—C25B27.52 (14)
C25A—C20A—C21A—C22A1.2 (2)C25B—C20B—C21B—C22B0.5 (3)
As2A—C20A—C21A—C22A178.53 (12)As2B—C20B—C21B—C22B177.27 (14)
C20A—C21A—C22A—C23A1.3 (2)C20B—C21B—C22B—C23B0.3 (3)
C21A—C22A—C23A—C24A0.3 (3)C21B—C22B—C23B—C24B0.4 (3)
C22A—C23A—C24A—C25A0.8 (3)C22B—C23B—C24B—C25B0.9 (3)
C21A—C20A—C25A—C24A0.1 (2)C23B—C24B—C25B—C20B0.7 (3)
As2A—C20A—C25A—C24A179.66 (12)C21B—C20B—C25B—C24B0.0 (2)
C23A—C24A—C25A—C20A1.0 (2)As2B—C20B—C25B—C24B177.84 (13)
P1A—O10A—C26A—C28A147.83 (13)P1B—O10B—C26B—C27B116.73 (17)
P1A—O10A—C26A—C27A89.19 (18)P1B—O10B—C26B—C28B121.64 (15)
P1A—O11A—C29A—C31A143.59 (14)P1B—O11B—C29B—C31B101.12 (17)
P1A—O11A—C29A—C30A95.51 (17)P1B—O11B—C29B—C30B137.85 (13)
P1A—O12A—C32A—C33A90.92 (14)P1B—O12B—C32B—C33B98.61 (15)
P1A—O12A—C32A—C34A146.38 (12)P1B—O12B—C32B—C34B139.65 (13)
C36A—Ru1A—C35A—O1A7.7 (9)C36B—Ru1B—C35B—O1B48.2 (12)
C37A—Ru1A—C35A—O1A89.9 (10)C37B—Ru1B—C35B—O1B174.1 (10)
As1A—Ru1A—C35A—O1A90.9 (9)As1B—Ru1B—C35B—O1B54.2 (12)
Ru2A—Ru1A—C35A—O1A177 (100)Ru3B—Ru1B—C35B—O1B153.4 (12)
Ru3A—Ru1A—C35A—O1A121.2 (9)Ru2B—Ru1B—C35B—O1B148.2 (12)
C37A—Ru1A—C36A—O2A70 (4)C35B—Ru1B—C36B—O2B100 (15)
C35A—Ru1A—C36A—O2A122 (4)C37B—Ru1B—C36B—O2B83 (15)
As1A—Ru1A—C36A—O2A24 (4)As1B—Ru1B—C36B—O2B8 (15)
Ru2A—Ru1A—C36A—O2A127 (4)Ru3B—Ru1B—C36B—O2B168 (100)
Ru3A—Ru1A—C36A—O2A160 (4)Ru2B—Ru1B—C36B—O2B167 (100)
C36A—Ru1A—C37A—O3A21.1 (11)C36B—Ru1B—C37B—O3B42.7 (12)
C35A—Ru1A—C37A—O3A103.0 (11)C35B—Ru1B—C37B—O3B179 (100)
As1A—Ru1A—C37A—O3A77.8 (11)As1B—Ru1B—C37B—O3B59.5 (12)
Ru2A—Ru1A—C37A—O3A168.2 (11)Ru3B—Ru1B—C37B—O3B148.0 (12)
Ru3A—Ru1A—C37A—O3A133.8 (11)Ru2B—Ru1B—C37B—O3B153.9 (12)
C39A—Ru2A—C38A—O4A42.3 (16)C39B—Ru2B—C38B—O4B49.3 (12)
C40A—Ru2A—C38A—O4A163.5 (14)C40B—Ru2B—C38B—O4B167.8 (9)
As2A—Ru2A—C38A—O4A59.1 (16)As2B—Ru2B—C38B—O4B57.5 (12)
Ru3A—Ru2A—C38A—O4A142.9 (16)Ru3B—Ru2B—C38B—O4B152.9 (11)
Ru1A—Ru2A—C38A—O4A156.3 (16)Ru1B—Ru2B—C38B—O4B149.6 (12)
C40A—Ru2A—C39A—O5A6 (2)C38B—Ru2B—C39B—O5B34 (3)
C38A—Ru2A—C39A—O5A172 (2)C40B—Ru2B—C39B—O5B142 (3)
As2A—Ru2A—C39A—O5A91 (2)As2B—Ru2B—C39B—O5B124 (3)
Ru3A—Ru2A—C39A—O5A87 (2)Ru3B—Ru2B—C39B—O5B63 (3)
Ru1A—Ru2A—C39A—O5A59 (2)Ru1B—Ru2B—C39B—O5B27 (3)
C39A—Ru2A—C40A—O6A62.4 (11)C39B—Ru2B—C40B—O6B35.6 (12)
C38A—Ru2A—C40A—O6A143.4 (9)C38B—Ru2B—C40B—O6B154.0 (10)
As2A—Ru2A—C40A—O6A38.4 (11)As2B—Ru2B—C40B—O6B71.4 (12)
Ru3A—Ru2A—C40A—O6A163.4 (11)Ru3B—Ru2B—C40B—O6B139.0 (12)
Ru1A—Ru2A—C40A—O6A136.1 (11)Ru1B—Ru2B—C40B—O6B163.9 (12)
C42A—Ru3A—C41A—O7A46.8 (12)C42B—Ru3B—C41B—O7B44.8 (16)
C43A—Ru3A—C41A—O7A86.7 (18)C43B—Ru3B—C41B—O7B153.8 (14)
P1A—Ru3A—C41A—O7A52.9 (12)P1B—Ru3B—C41B—O7B59.9 (16)
Ru2A—Ru3A—C41A—O7A136.4 (12)Ru2B—Ru3B—C41B—O7B140.0 (16)
Ru1A—Ru3A—C41A—O7A163.7 (12)Ru1B—Ru3B—C41B—O7B160.7 (16)
C43A—Ru3A—C42A—O8A106 (6)C41B—Ru3B—C42B—O8B59 (2)
C41A—Ru3A—C42A—O8A76 (6)C43B—Ru3B—C42B—O8B119 (2)
P1A—Ru3A—C42A—O8A163 (6)P1B—Ru3B—C42B—O8B152 (2)
Ru2A—Ru3A—C42A—O8A9 (6)Ru2B—Ru3B—C42B—O8B39 (2)
Ru1A—Ru3A—C42A—O8A21 (6)Ru1B—Ru3B—C42B—O8B20 (2)
C42A—Ru3A—C43A—O9A57.8 (12)C42B—Ru3B—C43B—O9B66.2 (15)
C41A—Ru3A—C43A—O9A75.7 (19)C41B—Ru3B—C43B—O9B132.3 (13)
P1A—Ru3A—C43A—O9A42.0 (12)P1B—Ru3B—C43B—O9B38.2 (15)
Ru2A—Ru3A—C43A—O9A147.6 (12)Ru2B—Ru3B—C43B—O9B160.3 (15)
Ru1A—Ru3A—C43A—O9A152.9 (12)Ru1B—Ru3B—C43B—O9B139.2 (15)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C10B—H10B···O6Ai0.932.593.293 (2)132
C17B—H17B···O2Bii0.932.573.477 (2)165
C33A—H33B···O2Aiii0.962.563.492 (2)164
Symmetry codes: (i) x, y+1, z; (ii) x+1, y+1, z; (iii) x, y+1, z+1.

Experimental details

Crystal data
Chemical formula[Ru3(C25H22As2)(C9H21O3P)(CO)9]
Mr1235.79
Crystal system, space groupTriclinic, P1
Temperature (K)100
a, b, c (Å)12.3481 (3), 18.1697 (4), 21.5295 (5)
α, β, γ (°)93.494 (1), 103.230 (1), 90.383 (1)
V3)4692.38 (19)
Z4
Radiation typeMo Kα
µ (mm1)2.45
Crystal size (mm)0.35 × 0.23 × 0.19
Data collection
DiffractometerBruker APEXII DUO CCD area-detector
diffractometer
Absorption correctionMulti-scan
(SADABS; Bruker, 2009)
Tmin, Tmax0.483, 0.659
No. of measured, independent and
observed [I > 2σ(I)] reflections
161249, 40931, 35153
Rint0.026
(sin θ/λ)max1)0.807
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.024, 0.055, 1.01
No. of reflections40931
No. of parameters1093
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)1.57, 1.26

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

Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C10B—H10B···O6Ai0.932.593.293 (2)132
C17B—H17B···O2Bii0.932.573.477 (2)165
C33A—H33B···O2Aiii0.962.563.492 (2)164
Symmetry codes: (i) x, y+1, z; (ii) x+1, y+1, z; (iii) x, y+1, z+1.
 

Footnotes

Thomson Reuters ResearcherID: B-6034-2009.

§Thomson Reuters Researcher ID: G-4202-2010.

Thomson Reuters ResearcherID: A-5523-2009.

‡‡Thomson Reuters ResearcherID: A-3561-2009.

Acknowledgements

We gratefully acknowledge funding from the Malaysian Government and Universiti Sains Malaysia (USM) under the University Research Grant 1001/PJJAUH/811115. MGA thanks USM for a dost-doctoral fellowship and HKF thanks the Malaysian Government and Universiti Sains Malaysia for the Research University Grant No. 1001/PFIZIK/811160.

References

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Volume 67| Part 5| May 2011| Pages m545-m546
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