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The asymmetric unit of the title triangulo-triruthenium compound, [Ru3(C25H22As2)(C18H15O3P)(CO)9], contains two crystallographically independent but similar mol­ecules. The bis­(diphenyl­arsino)methane ligand bridges an Ru—Ru bond and the monodentate phosphite ligand bonds to the third Ru atom. Both the phosphite and arsine ligands are equatorial with respect to the Ru3 triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. One of the triphenyl­phosphite benzene rings in one of the mol­ecules is disordered over two positions with refined site occupancies of 0.60 (3) and 0.40 (3). In the crystal packing, the mol­ecules are stacked along a axis. Intra­molecular C—H...O hydrogen bonds stabilize the mol­ecular structure and weak inter­molecular C—H...π inter­actions further stabilize the crystal structure. The crystal studied was a non-merohedral twin, the refined ratio of the twin components being 0.618 (1):0.382 (1).

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536810001200/tk2607sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536810001200/tk2607Isup2.hkl
Contains datablock I

CCDC reference: 765044

Key indicators

  • Single-crystal X-ray study
  • T = 100 K
  • Mean [sigma](C-C) = 0.014 Å
  • Disorder in main residue
  • R factor = 0.059
  • wR factor = 0.132
  • Data-to-parameter ratio = 23.0

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for P1A -- O11A .. 10.03 su
Alert level C PLAT213_ALERT_2_C Atom C41B has ADP max/min Ratio ..... 3.20 oblat PLAT213_ALERT_2_C Atom C36A has ADP max/min Ratio ..... 3.20 prola PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.28 Ratio PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.62 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.09 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.50 Ratio PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 14 PLAT432_ALERT_2_C Short Inter X...Y Contact C41C .. C41C .. 3.14 Ang. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 55.00 A   3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 9 PLAT234_ALERT_4_C Large Hirshfeld Difference Ru2B -- C47B .. 0.16 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference O4B -- C47B .. 0.15 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C34A -- C35A .. 0.15 Ang. PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 134
Alert level G PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 105.72 PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 4.00 Perc. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 174 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 14 PLAT931_ALERT_5_G Check Twin Law ( )[ 0 0 1] Estimated BASF 0.62 PLAT931_ALERT_5_G Check Twin Law ( 0 0 1)[ ] Estimated BASF 0.54
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 14 ALERT level C = Check and explain 6 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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(C18H15O3P)(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 a closely 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. The triphenylphosphite benzene rings make dihedral angles (C26–C31/C32–C37, C26–C31/C38–C43 and C32–C37/C38–C43) of 66.9 (5), 55.6 (5) and 62.0 (5)° with each other in molecule A whereas these angles are 85.5 (5), 71.4 (9) and 85.8 (9)° (major component), 85.5 (5), 71.2 (11) and 85.1 (11)° (minor component) in molecule B. The dihedral angles between the two benzene rings (C1–C6/C7–C12 and C14–C19/C20–C25) are 84.7 (4) and 84.0 (4)° for the two diphenylarsino groups in molecule A whereas these angles are 85.0 (4) and 86.3 (4)° in molecule B. In the crystal structure, the molecules are stacked along a axis (Fig. 2). Intramolecular C31A—H31A···O11A, C39A—H39A···O12A and C43B—H43B···O2B hydrogen bonds stabilize the molecular structure and 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, and all solvents were dried over sodium and distilled from sodium benzophenone ketyl under nitrogen. Triphenylphosphite (BDH) was used as received and µ-bis(diphenylarsino)methanedecacarbonyltriruthenium(0) was prepared by a reported procedure (Bruce et al., 1983). The title compound was obtained by refluxing equimolar quantities of Ru3(CO)10(µ-Ph2AsCH2AsPh2) (105.5 mg, 0.1 mmol) and triphenylphosphite (31.0 mg, 0.1 mmol) in hexane under nitrogen atmosphere. Crystals were grown by slow solvent / solvent diffusion of CH3OH into CH2Cl2.

Refinement top

The C38B–C43B benzene ring is disordered over two positions with refined site occupancies of 0.60 (3) and 0.40 (3). The minor component of the disordered atoms was refined isotropically. The same Uij parameters were used for the atom pairs O2A/O2B and O11A/O11B. All disordered atoms were subjected to rigid bond and similarity restraints. 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). The maximum and minimum residual electron density peaks of 2.75 and -2.02 e Å-3, respectively, were located 1.52 Å and 0.05 Å from the Ru1A and Ru2B atoms, respectively. The crystal studied is a twin (twin law: -1 0 0/0 - 1 0/0 0 1) with the refined ratio of twin components being 0.618 (1):0.382 (1).

Structure description 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(C18H15O3P)(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 a closely 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. The triphenylphosphite benzene rings make dihedral angles (C26–C31/C32–C37, C26–C31/C38–C43 and C32–C37/C38–C43) of 66.9 (5), 55.6 (5) and 62.0 (5)° with each other in molecule A whereas these angles are 85.5 (5), 71.4 (9) and 85.8 (9)° (major component), 85.5 (5), 71.2 (11) and 85.1 (11)° (minor component) in molecule B. The dihedral angles between the two benzene rings (C1–C6/C7–C12 and C14–C19/C20–C25) are 84.7 (4) and 84.0 (4)° for the two diphenylarsino groups in molecule A whereas these angles are 85.0 (4) and 86.3 (4)° in molecule B. In the crystal structure, the molecules are stacked along a axis (Fig. 2). Intramolecular C31A—H31A···O11A, C39A—H39A···O12A and C43B—H43B···O2B hydrogen bonds stabilize the molecular structure and weak intermolecular C—H···π interactions further stabilize the crystal structure (Table 1).

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).

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. All disordered components are shown.
[Figure 2] Fig. 2. The crystal packing of the title compound, viewed down the a axis, showing the molecules stacked along a axis. Hydrogen atoms not involved in the hydrogen-bonding (dashed lines) have been omitted for clarity. Only major disordered component is shown.
[µ-Bis(diphenylarsino)methane-1:2κ2As:As']nonacarbonyl- 1κ3C,2κ3C,3κ3C-(triphenyl phosphite-3κP)-triangulo-triruthenium(0) top
Crystal data top
[Ru3(C25H22As2)(C18H15O3P)(CO)9]F(000) = 5264
Mr = 1337.84Dx = 1.761 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 9830 reflections
a = 15.6537 (3) Åθ = 2.4–29.2°
b = 21.3662 (4) ŵ = 2.28 mm1
c = 30.1698 (6) ÅT = 100 K
β = 90.125 (1)°Block, red
V = 10090.6 (3) Å30.25 × 0.23 × 0.04 mm
Z = 8
Data collection top
Bruker SMART APEXII CCD area-detector
diffractometer
29385 independent reflections
Radiation source: fine-focus sealed tube22171 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.080
φ and ω scansθmax = 30.0°, θmin = 1.0°
Absorption correction: multi-scan
(SADABS; Bruker, 2005)
h = 2121
Tmin = 0.604, Tmax = 0.918k = 3029
235438 measured reflectionsl = 4142
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)] = 0.059Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.132H-atom parameters constrained
S = 1.07 w = 1/[σ2(Fo2) + (0.0243P)2 + 105.7247P]
where P = (Fo2 + 2Fc2)/3
29385 reflections(Δ/σ)max = 0.001
1275 parametersΔρmax = 2.75 e Å3
174 restraintsΔρmin = 2.02 e Å3
Crystal data top
[Ru3(C25H22As2)(C18H15O3P)(CO)9]V = 10090.6 (3) Å3
Mr = 1337.84Z = 8
Monoclinic, P21/cMo Kα radiation
a = 15.6537 (3) ŵ = 2.28 mm1
b = 21.3662 (4) ÅT = 100 K
c = 30.1698 (6) Å0.25 × 0.23 × 0.04 mm
β = 90.125 (1)°
Data collection top
Bruker SMART APEXII CCD area-detector
diffractometer
29385 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2005)
22171 reflections with I > 2σ(I)
Tmin = 0.604, Tmax = 0.918Rint = 0.080
235438 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.059174 restraints
wR(F2) = 0.132H-atom parameters constrained
S = 1.07 w = 1/[σ2(Fo2) + (0.0243P)2 + 105.7247P]
where P = (Fo2 + 2Fc2)/3
29385 reflectionsΔρmax = 2.75 e Å3
1275 parametersΔρmin = 2.02 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*/UeqOcc. (<1)
Ru1A0.28173 (4)0.76421 (3)0.64426 (2)0.01788 (13)
Ru2A0.26063 (4)0.89647 (3)0.63474 (2)0.01799 (13)
Ru3A0.35416 (4)0.82713 (3)0.57030 (2)0.01912 (13)
As1A0.20409 (5)0.76330 (3)0.71392 (3)0.01517 (16)
As2A0.15232 (6)0.90735 (3)0.69237 (3)0.01558 (16)
P1A0.43840 (15)0.74851 (10)0.54556 (8)0.0236 (5)
O1A0.4568 (4)0.7873 (3)0.6862 (3)0.0389 (18)
O2A0.3396 (5)0.6296 (3)0.6344 (3)0.0470 (13)
O3A0.1042 (5)0.7454 (4)0.6046 (3)0.045 (2)
O4A0.1215 (4)0.8772 (4)0.5657 (3)0.046 (2)
O5A0.2849 (5)1.0281 (3)0.5992 (3)0.054 (2)
O6A0.4037 (5)0.9200 (4)0.7014 (3)0.0425 (19)
O7A0.5087 (5)0.8852 (4)0.6168 (3)0.0369 (17)
O8A0.3598 (5)0.9325 (3)0.5021 (2)0.0327 (16)
O9A0.2098 (4)0.7605 (3)0.5196 (2)0.0336 (15)
O10A0.5103 (4)0.7324 (3)0.5814 (2)0.0398 (16)
O11A0.4931 (4)0.7551 (3)0.5012 (2)0.0294 (10)
O12A0.4009 (5)0.6802 (3)0.5398 (2)0.0373 (16)
C1A0.1324 (5)0.6910 (3)0.7279 (3)0.0186 (17)
C2A0.0884 (6)0.6898 (4)0.7683 (3)0.0215 (18)
H2AA0.09530.72240.78840.026*
C3A0.0346 (6)0.6401 (4)0.7786 (3)0.0237 (19)
H3AA0.00460.64000.80520.028*
C4A0.0258 (6)0.5904 (4)0.7490 (3)0.028 (2)
H4AA0.00890.55650.75600.033*
C5A0.0693 (6)0.5918 (4)0.7088 (3)0.0244 (19)
H5AA0.06220.55930.68870.029*
C6A0.1239 (6)0.6419 (3)0.6983 (3)0.0223 (18)
H6AA0.15390.64200.67170.027*
C7A0.2706 (6)0.7713 (3)0.7674 (3)0.0207 (17)
C8A0.2528 (6)0.8145 (4)0.8010 (3)0.0262 (19)
H8AA0.20520.84030.79880.031*
C9A0.3057 (7)0.8186 (4)0.8371 (3)0.031 (2)
H9AA0.29430.84780.85910.038*
C10A0.3754 (7)0.7801 (5)0.8411 (3)0.034 (2)
H10A0.41070.78310.86590.041*
C11A0.3934 (7)0.7359 (5)0.8079 (4)0.035 (2)
H11A0.44050.70970.81060.042*
C12A0.3411 (6)0.7316 (4)0.7713 (3)0.0266 (19)
H12A0.35270.70230.74930.032*
C13A0.1143 (5)0.8278 (3)0.7180 (3)0.0164 (16)
H13A0.06360.81340.70250.020*
H13B0.09940.83410.74890.020*
C14A0.1714 (5)0.9620 (4)0.7431 (3)0.0193 (17)
C15A0.2239 (6)1.0135 (3)0.7376 (3)0.0211 (17)
H15A0.25411.01850.71140.025*
C16A0.2318 (6)1.0574 (4)0.7709 (3)0.0267 (19)
H16A0.26791.09160.76720.032*
C17A0.1858 (6)1.0506 (4)0.8101 (4)0.030 (2)
H17A0.19091.08040.83240.036*
C18A0.1323 (6)0.9995 (4)0.8159 (3)0.0240 (18)
H18A0.10160.99490.84200.029*
C19A0.1251 (5)0.9556 (4)0.7824 (3)0.0216 (18)
H19A0.08910.92140.78620.026*
C20A0.0468 (6)0.9467 (4)0.6727 (3)0.0184 (16)
C21A0.0568 (5)0.9991 (3)0.6452 (3)0.0183 (15)
H21A0.11071.01070.63520.022*
C22A0.0142 (6)1.0331 (4)0.6330 (3)0.0240 (18)
H22A0.00791.06810.61490.029*
C23A0.0957 (6)1.0160 (4)0.6475 (3)0.027 (2)
H23A0.14341.03890.63890.033*
C24A0.1044 (6)0.9639 (4)0.6752 (3)0.026 (2)
H24A0.15820.95220.68530.032*
C25A0.0323 (5)0.9291 (4)0.6878 (3)0.0213 (17)
H25A0.03810.89440.70610.026*
C26A0.5823 (6)0.6930 (4)0.5772 (4)0.032 (2)
C27A0.6492 (8)0.7085 (5)0.6032 (4)0.043 (3)
H27A0.64650.74350.62150.052*
C28A0.7219 (7)0.6715 (5)0.6025 (4)0.045 (3)
H28A0.76860.68180.62020.054*
C29A0.7251 (6)0.6196 (4)0.5756 (4)0.039 (2)
H29A0.77350.59440.57570.047*
C30A0.6594 (6)0.6053 (4)0.5494 (3)0.032 (2)
H30A0.66340.57060.53090.038*
C31A0.5850 (7)0.6409 (5)0.5491 (4)0.035 (2)
H31A0.53890.63040.53100.042*
C32A0.5065 (6)0.8110 (4)0.4778 (4)0.029 (2)
C33A0.4591 (7)0.8208 (5)0.4406 (4)0.037 (2)
H33A0.41800.79190.43180.045*
C34A0.4733 (7)0.8752 (6)0.4157 (4)0.051 (3)
H34A0.44250.88190.38980.061*
C35A0.5316 (7)0.9181 (6)0.4292 (5)0.053 (3)
H35A0.53940.95470.41300.063*
C36A0.5788 (8)0.9075 (6)0.4666 (5)0.058 (4)
H36A0.62000.93640.47520.070*
C37A0.5656 (7)0.8529 (5)0.4922 (4)0.038 (2)
H37A0.59630.84600.51820.046*
C38A0.3726 (6)0.6460 (4)0.5032 (4)0.026 (2)
C39A0.4202 (6)0.6384 (4)0.4643 (3)0.026 (2)
H39A0.47070.66080.46070.032*
C40A0.3936 (7)0.5991 (4)0.4321 (3)0.039 (2)
H40A0.42700.59240.40710.046*
C41A0.3145 (7)0.5687 (5)0.4370 (4)0.045 (3)
H41A0.29500.54260.41450.054*
C42A0.2655 (6)0.5764 (4)0.4743 (4)0.040 (2)
H42A0.21260.55700.47680.048*
C43A0.2973 (7)0.6145 (4)0.5089 (4)0.042 (2)
H43A0.26720.61820.53540.051*
C44A0.3913 (6)0.7820 (4)0.6693 (3)0.027 (2)
C45A0.3155 (7)0.6793 (4)0.6376 (3)0.029 (2)
C46A0.1712 (6)0.7545 (4)0.6167 (3)0.029 (2)
C47A0.1757 (6)0.8804 (4)0.5915 (3)0.029 (2)
C48A0.2756 (7)0.9794 (4)0.6137 (4)0.036 (2)
C49A0.3526 (7)0.9068 (4)0.6772 (3)0.029 (2)
C50A0.4490 (6)0.8638 (4)0.6023 (3)0.0236 (19)
C51A0.3595 (6)0.8920 (4)0.5265 (3)0.0260 (19)
C52A0.2589 (5)0.7859 (4)0.5402 (3)0.0235 (17)
Ru1B0.22582 (4)0.27062 (3)0.64659 (2)0.01799 (13)
Ru2B0.24102 (4)0.40383 (3)0.64090 (2)0.01776 (13)
Ru3B0.15314 (4)0.33614 (3)0.57451 (2)0.01808 (13)
As1B0.29672 (5)0.26613 (3)0.71723 (3)0.01568 (16)
As2B0.34802 (6)0.41124 (3)0.69863 (3)0.01577 (16)
P1B0.08199 (14)0.25486 (9)0.54490 (8)0.0205 (4)
O1B0.4092 (4)0.2680 (3)0.6091 (3)0.0393 (18)
O2B0.1823 (5)0.1329 (3)0.6334 (3)0.0470 (13)
O3B0.0452 (5)0.2821 (3)0.6864 (3)0.0347 (17)
O4B0.0959 (5)0.4135 (4)0.7089 (3)0.0399 (18)
O5B0.2015 (5)0.5377 (3)0.6150 (3)0.0427 (19)
O6B0.3839 (5)0.4010 (4)0.5702 (3)0.0411 (18)
O7B0.3105 (4)0.2841 (3)0.5243 (2)0.0306 (14)
O8B0.1389 (5)0.4418 (3)0.5070 (2)0.0333 (16)
O9B0.0092 (5)0.3839 (4)0.6217 (2)0.0375 (18)
O10B0.0052 (4)0.2665 (3)0.5104 (2)0.0238 (13)
O11B0.0345 (4)0.2080 (2)0.5758 (2)0.0294 (10)
O12B0.1469 (4)0.2095 (3)0.5183 (2)0.0292 (13)
C1B0.3687 (6)0.1935 (3)0.7305 (3)0.0185 (17)
C2B0.4093 (6)0.1907 (4)0.7702 (3)0.0232 (19)
H2BA0.40010.22170.79130.028*
C3B0.4653 (6)0.1410 (4)0.7794 (4)0.030 (2)
H3BA0.49290.13870.80660.037*
C4B0.4792 (6)0.0956 (4)0.7477 (3)0.029 (2)
H4BA0.51680.06290.75350.035*
C5B0.4377 (7)0.0984 (4)0.7077 (4)0.030 (2)
H5BA0.44620.06700.68680.036*
C6B0.3832 (6)0.1479 (4)0.6981 (3)0.0239 (19)
H6BA0.35670.15070.67050.029*
C7B0.2250 (6)0.2699 (4)0.7697 (3)0.0205 (17)
C8B0.2363 (6)0.3124 (4)0.8044 (3)0.0252 (19)
H8BA0.28130.34080.80360.030*
C9B0.1797 (7)0.3123 (4)0.8405 (3)0.031 (2)
H9BA0.18790.34030.86370.037*
C10B0.1118 (6)0.2707 (4)0.8417 (4)0.030 (2)
H10B0.07380.27130.86530.036*
C11B0.1009 (6)0.2289 (4)0.8079 (3)0.030 (2)
H11B0.05610.20030.80880.035*
C12B0.1564 (6)0.2289 (4)0.7723 (3)0.0221 (17)
H12B0.14760.20050.74940.027*
C13B0.3844 (5)0.3313 (3)0.7240 (3)0.0196 (17)
H13C0.39690.33700.75520.023*
H13D0.43650.31770.70950.023*
C14B0.3287 (5)0.4648 (4)0.7504 (3)0.0201 (17)
C15B0.2751 (6)0.5159 (4)0.7457 (3)0.0233 (18)
H15B0.24340.52040.71980.028*
C16B0.2678 (6)0.5603 (4)0.7789 (3)0.028 (2)
H16B0.23340.59530.77460.034*
C17B0.3106 (6)0.5527 (4)0.8177 (3)0.0244 (19)
H17B0.30430.58180.84040.029*
C19B0.3742 (5)0.4573 (4)0.7893 (3)0.0210 (17)
H19B0.41100.42350.79280.025*
C18B0.3644 (6)0.5010 (4)0.8234 (3)0.0241 (18)
H18B0.39380.49570.85000.029*
C20B0.4551 (6)0.4482 (3)0.6796 (3)0.0195 (17)
C21B0.4517 (6)0.4984 (4)0.6507 (3)0.0249 (19)
H21B0.39900.51070.63940.030*
C22B0.5240 (7)0.5309 (4)0.6380 (3)0.029 (2)
H22B0.52030.56410.61820.034*
C23B0.6013 (7)0.5131 (4)0.6552 (3)0.032 (2)
H23B0.65040.53480.64740.038*
C24B0.6068 (6)0.4637 (4)0.6839 (3)0.028 (2)
H24B0.65970.45200.69520.033*
C25B0.5344 (6)0.4309 (4)0.6962 (3)0.0248 (19)
H25B0.53900.39720.71550.030*
C26B0.0026 (6)0.3163 (4)0.4807 (3)0.0232 (18)
C27B0.0607 (6)0.3607 (5)0.4872 (4)0.032 (2)
H27B0.09710.35800.51140.039*
C28B0.0686 (7)0.4087 (5)0.4572 (4)0.041 (3)
H28B0.11080.43890.46100.049*
C29B0.0129 (7)0.4122 (4)0.4211 (4)0.035 (2)
H29B0.01870.44470.40080.042*
C30B0.0487 (6)0.3693 (4)0.4153 (3)0.030 (2)
H30B0.08520.37240.39110.036*
C31B0.0583 (6)0.3208 (4)0.4448 (3)0.0253 (19)
H31B0.10140.29130.44090.030*
C32B0.0539 (6)0.1892 (4)0.5767 (3)0.0238 (18)
C33B0.0819 (6)0.1475 (4)0.5453 (3)0.0253 (19)
H33B0.04520.13350.52320.030*
C34B0.1656 (6)0.1267 (4)0.5470 (3)0.030 (2)
H34B0.18540.09890.52560.036*
C35B0.2202 (6)0.1468 (4)0.5802 (3)0.032 (2)
H35B0.27610.13220.58130.038*
C36B0.1908 (7)0.1891 (5)0.6119 (4)0.041 (3)
H36B0.22640.20290.63450.049*
C37B0.1064 (6)0.2102 (4)0.6089 (4)0.034 (2)
H37B0.08620.23920.62940.041*
C38B0.1337 (15)0.1524 (7)0.4998 (7)0.024 (4)0.60 (3)
C39B0.0950 (13)0.1458 (6)0.4591 (6)0.021 (3)0.60 (3)
H39B0.07930.18080.44270.025*0.60 (3)
C40B0.080 (2)0.0872 (8)0.4431 (7)0.035 (6)0.60 (3)
H40B0.05160.08270.41610.042*0.60 (3)
C41B0.1051 (17)0.0348 (6)0.4656 (6)0.040 (4)0.60 (3)
H41B0.08910.00490.45600.048*0.60 (3)
C42B0.156 (2)0.0426 (8)0.5042 (7)0.060 (6)0.60 (3)
H42B0.18640.00910.51620.071*0.60 (3)
C43B0.1608 (17)0.1005 (7)0.5231 (7)0.042 (5)0.60 (3)
H43B0.18200.10500.55180.050*0.60 (3)
C38C0.117 (2)0.1477 (10)0.5043 (9)0.018 (6)*0.40 (3)
C39C0.074 (2)0.1428 (11)0.4646 (9)0.021 (6)*0.40 (3)
H39C0.05070.17800.45100.025*0.40 (3)
C40C0.065 (3)0.0850 (12)0.4458 (10)0.024 (6)*0.40 (3)
H40C0.05600.08170.41550.029*0.40 (3)
C41C0.0708 (19)0.0318 (11)0.4710 (8)0.036 (6)*0.40 (3)
H41C0.04940.00630.46090.043*0.40 (3)
C42C0.1105 (16)0.0373 (9)0.5131 (7)0.022 (5)*0.40 (3)
H42C0.12380.00150.52930.026*0.40 (3)
C43C0.1294 (19)0.0950 (10)0.5299 (8)0.029 (6)*0.40 (3)
H43C0.15030.09880.55870.035*0.40 (3)
C44B0.3398 (6)0.2701 (4)0.6208 (3)0.0255 (19)
C45B0.1993 (6)0.1853 (4)0.6371 (3)0.028 (2)
C46B0.1126 (6)0.2808 (4)0.6710 (3)0.026 (2)
C47B0.1497 (7)0.4062 (4)0.6822 (4)0.031 (2)
C48B0.2187 (7)0.4875 (4)0.6247 (4)0.036 (2)
C49B0.3283 (6)0.3990 (4)0.5953 (3)0.027 (2)
C50B0.2552 (6)0.3038 (4)0.5450 (3)0.0236 (17)
C51B0.1415 (6)0.4010 (4)0.5322 (3)0.0252 (19)
C52B0.0540 (7)0.3662 (4)0.6067 (3)0.029 (2)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru1A0.0197 (3)0.0122 (2)0.0218 (3)0.0001 (2)0.0014 (3)0.0005 (2)
Ru2A0.0161 (3)0.0126 (2)0.0253 (3)0.0002 (2)0.0020 (3)0.0024 (2)
Ru3A0.0172 (3)0.0163 (3)0.0240 (3)0.0009 (2)0.0032 (3)0.0005 (2)
As1A0.0159 (4)0.0091 (3)0.0205 (4)0.0006 (3)0.0004 (3)0.0016 (3)
As2A0.0155 (4)0.0090 (3)0.0222 (4)0.0004 (3)0.0003 (3)0.0011 (3)
P1A0.0259 (11)0.0176 (9)0.0272 (12)0.0021 (8)0.0064 (9)0.0051 (8)
O1A0.018 (4)0.041 (4)0.058 (5)0.004 (3)0.011 (3)0.010 (4)
O2A0.069 (4)0.0167 (18)0.055 (3)0.002 (2)0.006 (3)0.0006 (19)
O3A0.037 (4)0.061 (5)0.038 (4)0.025 (4)0.011 (3)0.013 (4)
O4A0.022 (3)0.068 (5)0.047 (5)0.021 (3)0.006 (3)0.010 (4)
O5A0.032 (4)0.031 (4)0.099 (7)0.010 (3)0.024 (4)0.026 (4)
O6A0.020 (4)0.054 (4)0.054 (5)0.000 (3)0.009 (3)0.020 (4)
O7A0.026 (4)0.046 (4)0.039 (4)0.013 (3)0.004 (3)0.009 (3)
O8A0.033 (4)0.023 (3)0.041 (4)0.000 (3)0.011 (3)0.011 (3)
O9A0.032 (4)0.033 (3)0.036 (4)0.006 (3)0.006 (3)0.000 (3)
O10A0.039 (4)0.043 (4)0.038 (4)0.018 (3)0.001 (3)0.004 (3)
O11A0.020 (2)0.0160 (18)0.052 (3)0.0006 (15)0.005 (2)0.0024 (19)
O12A0.051 (4)0.024 (3)0.037 (4)0.004 (3)0.008 (3)0.002 (3)
C1A0.014 (4)0.013 (3)0.028 (5)0.002 (3)0.001 (3)0.004 (3)
C2A0.017 (4)0.017 (4)0.031 (5)0.002 (3)0.001 (4)0.001 (3)
C3A0.020 (4)0.018 (4)0.033 (5)0.001 (3)0.001 (4)0.012 (3)
C4A0.030 (5)0.012 (3)0.041 (6)0.007 (3)0.004 (4)0.009 (3)
C5A0.026 (5)0.015 (3)0.032 (5)0.001 (3)0.011 (4)0.003 (3)
C6A0.027 (5)0.011 (3)0.029 (5)0.001 (3)0.002 (4)0.003 (3)
C7A0.018 (4)0.015 (3)0.028 (5)0.001 (3)0.000 (4)0.005 (3)
C8A0.023 (4)0.020 (4)0.036 (5)0.003 (3)0.009 (4)0.001 (3)
C9A0.034 (5)0.028 (4)0.032 (5)0.005 (4)0.009 (4)0.002 (4)
C10A0.042 (6)0.036 (5)0.023 (5)0.012 (4)0.017 (4)0.008 (4)
C11A0.027 (5)0.046 (6)0.032 (6)0.006 (4)0.002 (4)0.015 (5)
C12A0.026 (5)0.030 (4)0.023 (5)0.005 (4)0.005 (4)0.006 (3)
C13A0.010 (4)0.013 (3)0.026 (4)0.004 (2)0.002 (3)0.001 (3)
C14A0.019 (4)0.015 (3)0.023 (4)0.004 (3)0.002 (3)0.002 (3)
C15A0.026 (5)0.011 (3)0.027 (4)0.002 (3)0.003 (3)0.003 (3)
C16A0.028 (5)0.017 (3)0.035 (5)0.002 (3)0.002 (4)0.002 (3)
C17A0.032 (5)0.023 (4)0.037 (6)0.003 (3)0.006 (4)0.006 (4)
C18A0.026 (5)0.023 (4)0.023 (4)0.000 (3)0.001 (4)0.002 (3)
C19A0.015 (4)0.017 (3)0.033 (5)0.000 (3)0.002 (3)0.001 (3)
C20A0.021 (4)0.015 (3)0.019 (4)0.002 (3)0.002 (3)0.002 (3)
C21A0.018 (4)0.014 (3)0.023 (4)0.002 (3)0.003 (3)0.001 (3)
C22A0.035 (5)0.018 (3)0.019 (4)0.008 (3)0.000 (4)0.002 (3)
C23A0.028 (5)0.021 (4)0.032 (5)0.013 (3)0.013 (4)0.004 (4)
C24A0.018 (4)0.025 (4)0.036 (5)0.008 (3)0.001 (4)0.002 (4)
C25A0.019 (4)0.017 (3)0.028 (5)0.001 (3)0.003 (3)0.002 (3)
C26A0.031 (5)0.029 (4)0.036 (5)0.014 (4)0.010 (4)0.007 (4)
C27A0.055 (7)0.033 (5)0.043 (6)0.006 (5)0.014 (6)0.003 (4)
C28A0.047 (7)0.035 (5)0.054 (7)0.005 (4)0.020 (6)0.011 (5)
C29A0.029 (5)0.036 (5)0.051 (6)0.001 (4)0.009 (5)0.013 (5)
C30A0.033 (5)0.034 (5)0.029 (5)0.005 (4)0.004 (4)0.005 (4)
C31A0.030 (5)0.035 (5)0.040 (6)0.008 (4)0.003 (5)0.004 (4)
C32A0.028 (5)0.018 (4)0.041 (6)0.001 (3)0.012 (4)0.002 (4)
C33A0.032 (5)0.048 (6)0.032 (6)0.007 (4)0.000 (4)0.010 (5)
C34A0.033 (6)0.080 (9)0.040 (7)0.021 (6)0.012 (5)0.023 (6)
C35A0.024 (5)0.060 (7)0.074 (9)0.000 (5)0.016 (6)0.033 (7)
C36A0.030 (6)0.044 (6)0.101 (11)0.019 (5)0.008 (7)0.027 (7)
C37A0.033 (6)0.038 (5)0.042 (6)0.009 (4)0.001 (5)0.006 (5)
C38A0.021 (4)0.016 (3)0.041 (6)0.002 (3)0.000 (4)0.005 (3)
C39A0.023 (5)0.021 (4)0.035 (5)0.005 (3)0.001 (4)0.004 (3)
C40A0.055 (7)0.031 (5)0.030 (5)0.002 (4)0.007 (5)0.004 (4)
C41A0.045 (6)0.038 (5)0.050 (7)0.006 (4)0.004 (5)0.011 (5)
C42A0.028 (5)0.033 (5)0.060 (7)0.000 (4)0.007 (5)0.015 (4)
C43A0.046 (6)0.032 (5)0.049 (7)0.006 (4)0.010 (5)0.008 (4)
C44A0.028 (5)0.020 (4)0.033 (5)0.005 (3)0.008 (4)0.009 (4)
C45A0.044 (6)0.021 (4)0.022 (5)0.000 (3)0.006 (4)0.001 (3)
C46A0.032 (5)0.035 (4)0.021 (5)0.017 (4)0.004 (4)0.011 (4)
C47A0.028 (5)0.031 (4)0.029 (5)0.003 (4)0.005 (4)0.010 (4)
C48A0.032 (5)0.025 (4)0.050 (6)0.005 (4)0.022 (5)0.015 (4)
C49A0.025 (5)0.026 (4)0.038 (6)0.002 (4)0.008 (4)0.010 (4)
C50A0.018 (4)0.026 (4)0.027 (5)0.000 (3)0.009 (4)0.004 (3)
C51A0.025 (5)0.018 (3)0.035 (5)0.002 (3)0.004 (4)0.005 (3)
C52A0.016 (4)0.021 (4)0.033 (5)0.001 (3)0.001 (4)0.003 (3)
Ru1B0.0209 (3)0.0121 (2)0.0210 (3)0.0001 (2)0.0020 (3)0.0000 (2)
Ru2B0.0174 (3)0.0125 (2)0.0234 (3)0.0012 (2)0.0031 (3)0.0005 (2)
Ru3B0.0188 (3)0.0156 (3)0.0199 (3)0.0014 (2)0.0027 (3)0.0007 (2)
As1B0.0158 (4)0.0100 (3)0.0212 (4)0.0000 (3)0.0006 (3)0.0010 (3)
As2B0.0141 (4)0.0097 (3)0.0235 (4)0.0002 (3)0.0014 (3)0.0014 (3)
P1B0.0237 (11)0.0152 (8)0.0225 (11)0.0001 (7)0.0034 (9)0.0016 (8)
O1B0.026 (3)0.044 (4)0.049 (5)0.014 (3)0.009 (3)0.009 (3)
O2B0.069 (4)0.0167 (18)0.055 (3)0.002 (2)0.006 (3)0.0006 (19)
O3B0.023 (4)0.037 (4)0.044 (4)0.005 (3)0.004 (3)0.012 (3)
O4B0.032 (4)0.055 (5)0.033 (4)0.004 (3)0.006 (3)0.020 (4)
O5B0.056 (5)0.020 (3)0.052 (5)0.014 (3)0.021 (4)0.006 (3)
O6B0.035 (4)0.052 (4)0.037 (4)0.012 (3)0.010 (3)0.011 (4)
O7B0.028 (3)0.031 (3)0.033 (4)0.000 (3)0.007 (3)0.002 (3)
O8B0.049 (4)0.021 (3)0.030 (4)0.002 (3)0.005 (3)0.008 (3)
O9B0.026 (4)0.047 (4)0.040 (4)0.016 (3)0.002 (3)0.005 (3)
O10B0.030 (3)0.017 (3)0.025 (3)0.004 (2)0.011 (3)0.004 (2)
O11B0.020 (2)0.0160 (18)0.052 (3)0.0006 (15)0.005 (2)0.0024 (19)
O12B0.027 (3)0.022 (3)0.039 (4)0.003 (2)0.002 (3)0.013 (2)
C1B0.024 (5)0.006 (3)0.025 (4)0.003 (3)0.000 (3)0.002 (3)
C2B0.021 (4)0.011 (3)0.037 (5)0.003 (3)0.004 (4)0.004 (3)
C3B0.020 (5)0.020 (4)0.051 (7)0.002 (3)0.015 (4)0.008 (4)
C4B0.028 (5)0.022 (4)0.037 (6)0.005 (3)0.003 (4)0.012 (4)
C5B0.037 (5)0.016 (4)0.038 (6)0.007 (3)0.004 (4)0.002 (4)
C6B0.024 (4)0.019 (4)0.029 (5)0.004 (3)0.007 (4)0.007 (3)
C7B0.020 (4)0.020 (4)0.022 (4)0.004 (3)0.000 (3)0.003 (3)
C8B0.028 (5)0.015 (3)0.033 (5)0.001 (3)0.002 (4)0.003 (3)
C9B0.051 (6)0.019 (4)0.023 (5)0.004 (4)0.001 (4)0.000 (3)
C10B0.026 (5)0.026 (4)0.036 (6)0.003 (3)0.005 (4)0.012 (4)
C11B0.019 (4)0.034 (5)0.036 (6)0.002 (3)0.000 (4)0.005 (4)
C12B0.016 (4)0.020 (4)0.030 (5)0.001 (3)0.001 (4)0.001 (3)
C13B0.017 (4)0.011 (3)0.031 (5)0.003 (3)0.005 (3)0.003 (3)
C14B0.015 (4)0.016 (3)0.029 (5)0.003 (3)0.004 (3)0.006 (3)
C15B0.023 (4)0.017 (3)0.030 (5)0.006 (3)0.002 (4)0.007 (3)
C16B0.032 (5)0.014 (3)0.039 (5)0.005 (3)0.007 (4)0.009 (3)
C17B0.026 (5)0.021 (4)0.026 (5)0.001 (3)0.005 (4)0.011 (3)
C19B0.019 (4)0.014 (3)0.030 (5)0.003 (3)0.006 (3)0.000 (3)
C18B0.025 (5)0.021 (4)0.026 (5)0.002 (3)0.002 (4)0.003 (3)
C20B0.022 (4)0.011 (3)0.025 (5)0.002 (3)0.006 (3)0.001 (3)
C21B0.031 (5)0.014 (3)0.029 (5)0.003 (3)0.005 (4)0.000 (3)
C22B0.047 (6)0.016 (3)0.022 (5)0.010 (3)0.005 (4)0.000 (3)
C23B0.033 (5)0.029 (4)0.034 (6)0.005 (4)0.005 (4)0.013 (4)
C24B0.024 (5)0.016 (4)0.043 (6)0.001 (3)0.001 (4)0.009 (4)
C25B0.021 (4)0.023 (4)0.031 (5)0.001 (3)0.003 (4)0.000 (3)
C26B0.031 (5)0.020 (4)0.018 (4)0.001 (3)0.009 (4)0.001 (3)
C27B0.020 (5)0.039 (5)0.038 (6)0.008 (4)0.005 (4)0.006 (4)
C28B0.026 (5)0.035 (5)0.061 (8)0.003 (4)0.005 (5)0.012 (5)
C29B0.031 (5)0.029 (4)0.046 (6)0.001 (4)0.002 (5)0.012 (4)
C30B0.028 (5)0.033 (4)0.028 (5)0.006 (4)0.001 (4)0.001 (4)
C31B0.030 (5)0.024 (4)0.021 (5)0.000 (3)0.004 (4)0.001 (3)
C32B0.025 (4)0.021 (4)0.026 (5)0.000 (3)0.004 (4)0.010 (3)
C33B0.031 (5)0.026 (4)0.019 (5)0.001 (3)0.001 (4)0.000 (3)
C34B0.040 (5)0.027 (4)0.023 (5)0.005 (4)0.009 (4)0.003 (3)
C35B0.022 (4)0.037 (5)0.036 (5)0.002 (4)0.005 (4)0.010 (4)
C36B0.030 (5)0.041 (6)0.051 (7)0.007 (4)0.011 (5)0.009 (5)
C37B0.035 (5)0.029 (4)0.037 (6)0.002 (4)0.001 (4)0.007 (4)
C38B0.018 (9)0.016 (5)0.037 (8)0.001 (5)0.007 (7)0.009 (5)
C39B0.022 (8)0.012 (5)0.030 (7)0.001 (5)0.015 (6)0.000 (5)
C40B0.051 (15)0.017 (6)0.038 (9)0.012 (7)0.001 (9)0.009 (5)
C41B0.066 (12)0.010 (5)0.044 (9)0.002 (7)0.003 (8)0.011 (5)
C42B0.082 (14)0.027 (6)0.069 (11)0.020 (9)0.026 (10)0.010 (7)
C43B0.043 (11)0.027 (7)0.054 (9)0.011 (7)0.020 (9)0.014 (6)
C44B0.035 (5)0.033 (4)0.009 (4)0.012 (4)0.001 (3)0.001 (3)
C45B0.029 (5)0.018 (3)0.038 (5)0.000 (3)0.013 (4)0.006 (4)
C46B0.030 (5)0.019 (4)0.028 (5)0.003 (3)0.002 (4)0.008 (3)
C47B0.028 (5)0.026 (4)0.039 (6)0.005 (4)0.015 (5)0.010 (4)
C48B0.041 (6)0.020 (4)0.046 (6)0.001 (4)0.010 (5)0.000 (4)
C49B0.025 (5)0.027 (4)0.030 (5)0.001 (3)0.010 (4)0.000 (4)
C50B0.027 (4)0.025 (4)0.018 (4)0.009 (3)0.003 (3)0.004 (3)
C51B0.025 (5)0.019 (4)0.031 (5)0.004 (3)0.008 (4)0.009 (3)
C52B0.033 (5)0.023 (4)0.032 (5)0.002 (4)0.013 (4)0.002 (4)
Geometric parameters (Å, º) top
Ru1A—C45A1.900 (9)Ru2B—C48B1.885 (9)
Ru1A—C44A1.911 (11)Ru2B—C47B1.898 (12)
Ru1A—C46A1.929 (9)Ru2B—C49B1.944 (10)
Ru1A—As1A2.4301 (12)Ru2B—As2B2.4189 (11)
Ru1A—Ru3A2.8432 (10)Ru2B—Ru3B2.8256 (9)
Ru1A—Ru2A2.8594 (8)Ru3B—C51B1.892 (9)
Ru2A—C47A1.893 (10)Ru3B—C52B1.941 (11)
Ru2A—C48A1.897 (9)Ru3B—C50B1.956 (9)
Ru2A—C49A1.938 (11)Ru3B—P1B2.247 (2)
Ru2A—As2A2.4423 (11)As1B—C7B1.943 (9)
Ru2A—Ru3A2.8513 (10)As1B—C1B1.958 (7)
Ru3A—C51A1.918 (9)As1B—C13B1.966 (8)
Ru3A—C50A1.934 (10)As2B—C20B1.940 (8)
Ru3A—C52A1.955 (9)As2B—C13B1.956 (7)
Ru3A—P1A2.263 (2)As2B—C14B1.961 (8)
As1A—C7A1.926 (9)P1B—O11B1.558 (6)
As1A—C1A1.956 (8)P1B—O10B1.608 (6)
As1A—C13A1.972 (7)P1B—O12B1.618 (6)
As2A—C20A1.945 (8)O1B—C44B1.144 (12)
As2A—C14A1.947 (8)O2B—C45B1.156 (10)
As2A—C13A1.962 (7)O3B—C46B1.154 (12)
P1A—O12A1.583 (7)O4B—C47B1.178 (13)
P1A—O11A1.597 (7)O5B—C48B1.145 (11)
P1A—O10A1.597 (7)O6B—C49B1.155 (12)
O1A—C44A1.150 (12)O7B—C50B1.149 (11)
O2A—C45A1.131 (11)O8B—C51B1.158 (11)
O3A—C46A1.127 (11)O9B—C52B1.154 (12)
O4A—C47A1.152 (11)O10B—C26B1.391 (10)
O5A—C48A1.139 (11)O11B—C32B1.440 (10)
O6A—C49A1.117 (12)O12B—C38B1.358 (16)
O7A—C50A1.129 (11)O12B—C38C1.46 (2)
O8A—C51A1.135 (11)C1B—C2B1.358 (13)
O9A—C52A1.125 (10)C1B—C6B1.398 (12)
O10A—C26A1.413 (10)C2B—C3B1.405 (11)
O11A—C32A1.404 (11)C2B—H2BA0.9300
O12A—C38A1.396 (12)C3B—C4B1.378 (14)
C1A—C6A1.383 (12)C3B—H3BA0.9300
C1A—C2A1.403 (13)C4B—C5B1.372 (14)
C2A—C3A1.391 (11)C4B—H4BA0.9300
C2A—H2AA0.9300C5B—C6B1.389 (12)
C3A—C4A1.395 (13)C5B—H5BA0.9300
C3A—H3AA0.9300C6B—H6BA0.9300
C4A—C5A1.392 (14)C7B—C12B1.388 (12)
C4A—H4AA0.9300C7B—C8B1.397 (12)
C5A—C6A1.405 (12)C8B—C9B1.405 (13)
C5A—H5AA0.9300C8B—H8BA0.9300
C6A—H6AA0.9300C9B—C10B1.387 (13)
C7A—C8A1.397 (12)C9B—H9BA0.9300
C7A—C12A1.398 (12)C10B—C11B1.366 (14)
C8A—C9A1.371 (13)C10B—H10B0.9300
C8A—H8AA0.9300C11B—C12B1.383 (14)
C9A—C10A1.371 (14)C11B—H11B0.9300
C9A—H9AA0.9300C12B—H12B0.9300
C10A—C11A1.406 (15)C13B—H13C0.9700
C10A—H10A0.9300C13B—H13D0.9700
C11A—C12A1.376 (14)C14B—C19B1.381 (12)
C11A—H11A0.9300C14B—C15B1.384 (11)
C12A—H12A0.9300C15B—C16B1.385 (11)
C13A—H13A0.9700C15B—H15B0.9300
C13A—H13B0.9700C16B—C17B1.357 (14)
C14A—C15A1.383 (11)C16B—H16B0.9300
C14A—C19A1.400 (12)C17B—C18B1.399 (12)
C15A—C16A1.380 (12)C17B—H17B0.9300
C15A—H15A0.9300C19B—C18B1.398 (12)
C16A—C17A1.392 (14)C19B—H19B0.9300
C16A—H16A0.9300C18B—H18B0.9300
C17A—C18A1.386 (13)C20B—C21B1.385 (11)
C17A—H17A0.9300C20B—C25B1.387 (13)
C18A—C19A1.381 (12)C21B—C22B1.382 (12)
C18A—H18A0.9300C21B—H21B0.9300
C19A—H19A0.9300C22B—C23B1.369 (15)
C20A—C25A1.374 (12)C22B—H22B0.9300
C20A—C21A1.402 (11)C23B—C24B1.366 (14)
C21A—C22A1.377 (11)C23B—H23B0.9300
C21A—H21A0.9300C24B—C25B1.383 (13)
C22A—C23A1.398 (14)C24B—H24B0.9300
C22A—H22A0.9300C25B—H25B0.9300
C23A—C24A1.399 (13)C26B—C27B1.386 (13)
C23A—H23A0.9300C26B—C31B1.395 (13)
C24A—C25A1.402 (12)C27B—C28B1.373 (14)
C24A—H24A0.9300C27B—H27B0.9300
C25A—H25A0.9300C28B—C29B1.399 (16)
C26A—C27A1.349 (15)C28B—H28B0.9300
C26A—C31A1.401 (14)C29B—C30B1.342 (14)
C27A—C28A1.385 (15)C29B—H29B0.9300
C27A—H27A0.9300C30B—C31B1.376 (13)
C28A—C29A1.375 (15)C30B—H30B0.9300
C28A—H28A0.9300C31B—H31B0.9300
C29A—C30A1.331 (14)C32B—C37B1.352 (13)
C29A—H29A0.9300C32B—C33B1.372 (13)
C30A—C31A1.391 (13)C33B—C34B1.385 (14)
C30A—H30A0.9300C33B—H33B0.9300
C31A—H31A0.9300C34B—C35B1.387 (14)
C32A—C37A1.358 (14)C34B—H34B0.9300
C32A—C33A1.360 (15)C35B—C36B1.394 (14)
C33A—C34A1.401 (16)C35B—H35B0.9300
C33A—H33A0.9300C36B—C37B1.399 (14)
C34A—C35A1.355 (18)C36B—H36B0.9300
C34A—H34A0.9300C37B—H37B0.9300
C35A—C36A1.366 (19)C38B—C39B1.375 (16)
C35A—H35A0.9300C38B—C43B1.380 (17)
C36A—C37A1.415 (15)C39B—C40B1.362 (15)
C36A—H36A0.9300C39B—H39B0.9300
C37A—H37A0.9300C40B—C41B1.369 (16)
C38A—C43A1.369 (13)C40B—H40B0.9300
C38A—C39A1.399 (14)C41B—C42B1.423 (19)
C39A—C40A1.350 (13)C41B—H41B0.9300
C39A—H39A0.9300C42B—C43B1.364 (17)
C40A—C41A1.407 (15)C42B—H42B0.9300
C40A—H40A0.9300C43B—H43B0.9300
C41A—C42A1.374 (14)C38C—C43C1.379 (19)
C41A—H41A0.9300C38C—C39C1.380 (19)
C42A—C43A1.413 (14)C39C—C40C1.364 (18)
C42A—H42A0.9300C39C—H39C0.9300
C43A—H43A0.9300C40C—C41C1.370 (19)
Ru1B—C45B1.892 (8)C40C—H40C0.9300
Ru1B—C46B1.933 (10)C41C—C42C1.42 (2)
Ru1B—C44B1.948 (10)C41C—H41C0.9300
Ru1B—As1B2.4025 (11)C42C—C43C1.366 (19)
Ru1B—Ru3B2.8235 (10)C42C—H42C0.9300
Ru1B—Ru2B2.8613 (8)C43C—H43C0.9300
C45A—Ru1A—C44A88.9 (4)C45B—Ru1B—Ru2B165.4 (3)
C45A—Ru1A—C46A95.8 (4)C46B—Ru1B—Ru2B89.3 (3)
C44A—Ru1A—C46A174.4 (4)C44B—Ru1B—Ru2B84.6 (3)
C45A—Ru1A—As1A102.9 (3)As1B—Ru1B—Ru2B93.13 (3)
C44A—Ru1A—As1A96.3 (3)Ru3B—Ru1B—Ru2B59.60 (2)
C46A—Ru1A—As1A85.5 (3)C48B—Ru2B—C47B90.3 (5)
C45A—Ru1A—Ru3A104.9 (3)C48B—Ru2B—C49B89.9 (4)
C44A—Ru1A—Ru3A81.8 (3)C47B—Ru2B—C49B175.6 (4)
C46A—Ru1A—Ru3A94.1 (3)C48B—Ru2B—As2B104.6 (3)
As1A—Ru1A—Ru3A152.08 (3)C47B—Ru2B—As2B92.7 (3)
C45A—Ru1A—Ru2A164.8 (3)C49B—Ru2B—As2B91.5 (3)
C44A—Ru1A—Ru2A86.9 (3)C48B—Ru2B—Ru3B102.3 (3)
C46A—Ru1A—Ru2A87.7 (3)C47B—Ru2B—Ru3B96.5 (3)
As1A—Ru1A—Ru2A92.12 (3)C49B—Ru2B—Ru3B79.2 (3)
Ru3A—Ru1A—Ru2A60.00 (2)As2B—Ru2B—Ru3B151.54 (3)
C47A—Ru2A—C48A91.4 (4)C48B—Ru2B—Ru1B160.6 (3)
C47A—Ru2A—C49A175.2 (4)C47B—Ru2B—Ru1B85.7 (3)
C48A—Ru2A—C49A91.3 (5)C49B—Ru2B—Ru1B92.7 (3)
C47A—Ru2A—As2A91.2 (3)As2B—Ru2B—Ru1B94.56 (3)
C48A—Ru2A—As2A103.7 (3)Ru3B—Ru2B—Ru1B59.53 (2)
C49A—Ru2A—As2A92.0 (3)C51B—Ru3B—C52B91.1 (4)
C47A—Ru2A—Ru3A78.3 (3)C51B—Ru3B—C50B91.7 (4)
C48A—Ru2A—Ru3A101.1 (3)C52B—Ru3B—C50B176.9 (4)
C49A—Ru2A—Ru3A97.4 (3)C51B—Ru3B—P1B104.5 (3)
As2A—Ru2A—Ru3A153.27 (3)C52B—Ru3B—P1B93.3 (3)
C47A—Ru2A—Ru1A88.3 (3)C50B—Ru3B—P1B87.2 (2)
C48A—Ru2A—Ru1A160.4 (3)C51B—Ru3B—Ru1B157.0 (3)
C49A—Ru2A—Ru1A87.7 (3)C52B—Ru3B—Ru1B95.7 (3)
As2A—Ru2A—Ru1A95.90 (3)C50B—Ru3B—Ru1B81.2 (2)
Ru3A—Ru2A—Ru1A59.72 (2)P1B—Ru3B—Ru1B96.98 (6)
C51A—Ru3A—C50A90.9 (4)C51B—Ru3B—Ru2B98.6 (3)
C51A—Ru3A—C52A92.3 (4)C52B—Ru3B—Ru2B82.2 (3)
C50A—Ru3A—C52A176.7 (4)C50B—Ru3B—Ru2B96.1 (2)
C51A—Ru3A—P1A106.4 (3)P1B—Ru3B—Ru2B156.56 (7)
C50A—Ru3A—P1A91.0 (3)Ru1B—Ru3B—Ru2B60.86 (2)
C52A—Ru3A—P1A87.5 (2)C7B—As1B—C1B101.5 (3)
C51A—Ru3A—Ru1A154.3 (3)C7B—As1B—C13B106.9 (4)
C50A—Ru3A—Ru1A96.1 (3)C1B—As1B—C13B98.0 (3)
C52A—Ru3A—Ru1A81.1 (3)C7B—As1B—Ru1B117.0 (3)
P1A—Ru3A—Ru1A98.13 (7)C1B—As1B—Ru1B118.5 (3)
C51A—Ru3A—Ru2A96.8 (3)C13B—As1B—Ru1B112.6 (3)
C50A—Ru3A—Ru2A81.0 (3)C20B—As2B—C13B102.7 (3)
C52A—Ru3A—Ru2A99.1 (3)C20B—As2B—C14B97.6 (3)
P1A—Ru3A—Ru2A155.62 (7)C13B—As2B—C14B104.1 (4)
Ru1A—Ru3A—Ru2A60.28 (2)C20B—As2B—Ru2B114.3 (3)
C7A—As1A—C1A101.5 (4)C13B—As2B—Ru2B115.2 (2)
C7A—As1A—C13A105.6 (4)C14B—As2B—Ru2B120.3 (3)
C1A—As1A—C13A97.4 (3)O11B—P1B—O10B97.5 (3)
C7A—As1A—Ru1A117.0 (3)O11B—P1B—O12B102.3 (3)
C1A—As1A—Ru1A118.7 (3)O10B—P1B—O12B103.9 (3)
C13A—As1A—Ru1A114.0 (3)O11B—P1B—Ru3B119.7 (3)
C20A—As2A—C14A96.3 (3)O10B—P1B—Ru3B120.5 (2)
C20A—As2A—C13A103.7 (3)O12B—P1B—Ru3B110.4 (2)
C14A—As2A—C13A104.8 (4)C26B—O10B—P1B123.8 (5)
C20A—As2A—Ru2A114.5 (3)C32B—O11B—P1B130.5 (5)
C14A—As2A—Ru2A120.7 (3)C38B—O12B—P1B130.3 (11)
C13A—As2A—Ru2A114.2 (2)C38C—O12B—P1B119.1 (15)
O12A—P1A—O11A100.9 (3)C2B—C1B—C6B120.6 (8)
O12A—P1A—O10A97.9 (4)C2B—C1B—As1B118.9 (6)
O11A—P1A—O10A102.0 (4)C6B—C1B—As1B120.3 (7)
O12A—P1A—Ru3A120.3 (3)C1B—C2B—C3B119.8 (9)
O11A—P1A—Ru3A121.7 (2)C1B—C2B—H2BA120.1
O10A—P1A—Ru3A110.3 (3)C3B—C2B—H2BA120.1
C26A—O10A—P1A128.8 (7)C4B—C3B—C2B119.7 (9)
C32A—O11A—P1A125.3 (6)C4B—C3B—H3BA120.2
C38A—O12A—P1A133.4 (6)C2B—C3B—H3BA120.2
C6A—C1A—C2A120.0 (8)C5B—C4B—C3B120.3 (9)
C6A—C1A—As1A121.0 (7)C5B—C4B—H4BA119.8
C2A—C1A—As1A119.0 (6)C3B—C4B—H4BA119.8
C3A—C2A—C1A120.5 (8)C4B—C5B—C6B120.4 (9)
C3A—C2A—H2AA119.8C4B—C5B—H5BA119.8
C1A—C2A—H2AA119.8C6B—C5B—H5BA119.8
C2A—C3A—C4A119.8 (9)C5B—C6B—C1B119.1 (9)
C2A—C3A—H3AA120.1C5B—C6B—H6BA120.5
C4A—C3A—H3AA120.1C1B—C6B—H6BA120.5
C5A—C4A—C3A119.5 (8)C12B—C7B—C8B117.7 (8)
C5A—C4A—H4AA120.2C12B—C7B—As1B117.9 (7)
C3A—C4A—H4AA120.2C8B—C7B—As1B124.4 (7)
C4A—C5A—C6A120.9 (8)C7B—C8B—C9B120.1 (8)
C4A—C5A—H5AA119.6C7B—C8B—H8BA120.0
C6A—C5A—H5AA119.6C9B—C8B—H8BA120.0
C1A—C6A—C5A119.3 (9)C10B—C9B—C8B120.4 (9)
C1A—C6A—H6AA120.3C10B—C9B—H9BA119.8
C5A—C6A—H6AA120.3C8B—C9B—H9BA119.8
C8A—C7A—C12A119.9 (8)C11B—C10B—C9B119.6 (10)
C8A—C7A—As1A123.9 (6)C11B—C10B—H10B120.2
C12A—C7A—As1A116.2 (7)C9B—C10B—H10B120.2
C9A—C8A—C7A119.8 (9)C10B—C11B—C12B120.2 (9)
C9A—C8A—H8AA120.1C10B—C11B—H11B119.9
C7A—C8A—H8AA120.1C12B—C11B—H11B119.9
C8A—C9A—C10A120.8 (9)C11B—C12B—C7B122.1 (9)
C8A—C9A—H9AA119.6C11B—C12B—H12B118.9
C10A—C9A—H9AA119.6C7B—C12B—H12B118.9
C9A—C10A—C11A120.0 (9)As2B—C13B—As1B112.0 (4)
C9A—C10A—H10A120.0As2B—C13B—H13C109.2
C11A—C10A—H10A120.0As1B—C13B—H13C109.2
C12A—C11A—C10A119.8 (9)As2B—C13B—H13D109.2
C12A—C11A—H11A120.1As1B—C13B—H13D109.2
C10A—C11A—H11A120.1H13C—C13B—H13D107.9
C11A—C12A—C7A119.7 (9)C19B—C14B—C15B119.4 (8)
C11A—C12A—H12A120.2C19B—C14B—As2B122.0 (6)
C7A—C12A—H12A120.2C15B—C14B—As2B118.2 (7)
As2A—C13A—As1A111.3 (4)C14B—C15B—C16B121.2 (9)
As2A—C13A—H13A109.4C14B—C15B—H15B119.4
As1A—C13A—H13A109.4C16B—C15B—H15B119.4
As2A—C13A—H13B109.4C17B—C16B—C15B120.0 (8)
As1A—C13A—H13B109.4C17B—C16B—H16B120.0
H13A—C13A—H13B108.0C15B—C16B—H16B120.0
C15A—C14A—C19A119.1 (8)C16B—C17B—C18B119.8 (8)
C15A—C14A—As2A118.3 (6)C16B—C17B—H17B120.1
C19A—C14A—As2A122.0 (6)C18B—C17B—H17B120.1
C16A—C15A—C14A120.5 (8)C14B—C19B—C18B119.3 (8)
C16A—C15A—H15A119.8C14B—C19B—H19B120.3
C14A—C15A—H15A119.8C18B—C19B—H19B120.3
C15A—C16A—C17A120.0 (8)C19B—C18B—C17B120.3 (8)
C15A—C16A—H16A120.0C19B—C18B—H18B119.9
C17A—C16A—H16A120.0C17B—C18B—H18B119.9
C18A—C17A—C16A120.2 (9)C21B—C20B—C25B117.8 (8)
C18A—C17A—H17A119.9C21B—C20B—As2B118.0 (7)
C16A—C17A—H17A119.9C25B—C20B—As2B124.0 (6)
C19A—C18A—C17A119.4 (9)C22B—C21B—C20B122.2 (9)
C19A—C18A—H18A120.3C22B—C21B—H21B118.9
C17A—C18A—H18A120.3C20B—C21B—H21B118.9
C18A—C19A—C14A120.8 (8)C23B—C22B—C21B118.6 (9)
C18A—C19A—H19A119.6C23B—C22B—H22B120.7
C14A—C19A—H19A119.6C21B—C22B—H22B120.7
C25A—C20A—C21A121.1 (8)C24B—C23B—C22B120.6 (9)
C25A—C20A—As2A123.1 (6)C24B—C23B—H23B119.7
C21A—C20A—As2A115.5 (6)C22B—C23B—H23B119.7
C22A—C21A—C20A119.2 (8)C23B—C24B—C25B120.7 (9)
C22A—C21A—H21A120.4C23B—C24B—H24B119.7
C20A—C21A—H21A120.4C25B—C24B—H24B119.7
C21A—C22A—C23A121.0 (8)C24B—C25B—C20B120.1 (8)
C21A—C22A—H22A119.5C24B—C25B—H25B119.9
C23A—C22A—H22A119.5C20B—C25B—H25B119.9
C22A—C23A—C24A119.0 (8)C27B—C26B—O10B117.0 (9)
C22A—C23A—H23A120.5C27B—C26B—C31B120.7 (9)
C24A—C23A—H23A120.5O10B—C26B—C31B122.3 (8)
C23A—C24A—C25A120.2 (9)C28B—C27B—C26B118.9 (10)
C23A—C24A—H24A119.9C28B—C27B—H27B120.6
C25A—C24A—H24A119.9C26B—C27B—H27B120.6
C20A—C25A—C24A119.4 (8)C27B—C28B—C29B119.8 (10)
C20A—C25A—H25A120.3C27B—C28B—H28B120.1
C24A—C25A—H25A120.3C29B—C28B—H28B120.1
C27A—C26A—C31A121.5 (9)C30B—C29B—C28B121.0 (10)
C27A—C26A—O10A114.8 (9)C30B—C29B—H29B119.5
C31A—C26A—O10A123.7 (9)C28B—C29B—H29B119.5
C26A—C27A—C28A119.2 (10)C29B—C30B—C31B120.5 (10)
C26A—C27A—H27A120.4C29B—C30B—H30B119.7
C28A—C27A—H27A120.4C31B—C30B—H30B119.7
C29A—C28A—C27A120.1 (10)C30B—C31B—C26B119.1 (9)
C29A—C28A—H28A120.0C30B—C31B—H31B120.4
C27A—C28A—H28A120.0C26B—C31B—H31B120.4
C30A—C29A—C28A120.4 (10)C37B—C32B—C33B121.2 (9)
C30A—C29A—H29A119.8C37B—C32B—O11B120.4 (8)
C28A—C29A—H29A119.8C33B—C32B—O11B118.3 (8)
C29A—C30A—C31A121.7 (10)C32B—C33B—C34B119.0 (9)
C29A—C30A—H30A119.1C32B—C33B—H33B120.5
C31A—C30A—H30A119.1C34B—C33B—H33B120.5
C30A—C31A—C26A117.1 (10)C33B—C34B—C35B120.8 (9)
C30A—C31A—H31A121.4C33B—C34B—H34B119.6
C26A—C31A—H31A121.4C35B—C34B—H34B119.6
C37A—C32A—C33A122.2 (10)C34B—C35B—C36B119.6 (9)
C37A—C32A—O11A120.1 (10)C34B—C35B—H35B120.2
C33A—C32A—O11A117.7 (9)C36B—C35B—H35B120.2
C32A—C33A—C34A118.8 (11)C35B—C36B—C37B118.4 (9)
C32A—C33A—H33A120.6C35B—C36B—H36B120.8
C34A—C33A—H33A120.6C37B—C36B—H36B120.8
C35A—C34A—C33A120.6 (12)C32B—C37B—C36B121.0 (9)
C35A—C34A—H34A119.7C32B—C37B—H37B119.5
C33A—C34A—H34A119.7C36B—C37B—H37B119.5
C34A—C35A—C36A119.8 (11)O12B—C38B—C39B121.9 (13)
C34A—C35A—H35A120.1O12B—C38B—C43B117.7 (14)
C36A—C35A—H35A120.1C39B—C38B—C43B120.5 (12)
C35A—C36A—C37A120.6 (11)C40B—C39B—C38B119.2 (12)
C35A—C36A—H36A119.7C40B—C39B—H39B120.4
C37A—C36A—H36A119.7C38B—C39B—H39B120.4
C32A—C37A—C36A117.9 (11)C39B—C40B—C41B121.7 (14)
C32A—C37A—H37A121.0C39B—C40B—H40B119.1
C36A—C37A—H37A121.0C41B—C40B—H40B119.1
C43A—C38A—O12A115.3 (9)C40B—C41B—C42B118.1 (13)
C43A—C38A—C39A120.7 (9)C40B—C41B—H41B120.9
O12A—C38A—C39A123.7 (8)C42B—C41B—H41B120.9
C40A—C39A—C38A120.8 (9)C43B—C42B—C41B118.5 (14)
C40A—C39A—H39A119.6C43B—C42B—H42B120.7
C38A—C39A—H39A119.6C41B—C42B—H42B120.7
C39A—C40A—C41A118.8 (10)C42B—C43B—C38B120.0 (14)
C39A—C40A—H40A120.6C42B—C43B—H43B120.0
C41A—C40A—H40A120.6C38B—C43B—H43B120.0
C42A—C41A—C40A121.6 (10)C43C—C38C—C39C119.4 (18)
C42A—C41A—H41A119.2C43C—C38C—O12B122.1 (18)
C40A—C41A—H41A119.2C39C—C38C—O12B118.5 (17)
C41A—C42A—C43A118.6 (9)C40C—C39C—C38C118.5 (18)
C41A—C42A—H42A120.7C40C—C39C—H39C120.8
C43A—C42A—H42A120.7C38C—C39C—H39C120.8
C38A—C43A—C42A119.3 (10)C39C—C40C—C41C121 (2)
C38A—C43A—H43A120.3C39C—C40C—H40C119.5
C42A—C43A—H43A120.3C41C—C40C—H40C119.5
O1A—C44A—Ru1A173.7 (8)C40C—C41C—C42C117.0 (18)
O2A—C45A—Ru1A176.5 (10)C40C—C41C—H41C121.5
O3A—C46A—Ru1A172.6 (8)C42C—C41C—H41C121.5
O4A—C47A—Ru2A172.7 (9)C43C—C42C—C41C120.1 (17)
O5A—C48A—Ru2A177.1 (10)C43C—C42C—H42C120.0
O6A—C49A—Ru2A171.9 (9)C41C—C42C—H42C120.0
O7A—C50A—Ru3A172.7 (8)C42C—C43C—C38C120.0 (18)
O8A—C51A—Ru3A176.1 (8)C42C—C43C—H43C120.0
O9A—C52A—Ru3A173.0 (8)C38C—C43C—H43C120.0
C45B—Ru1B—C46B88.0 (4)O1B—C44B—Ru1B174.0 (8)
C45B—Ru1B—C44B97.7 (4)O2B—C45B—Ru1B176.7 (10)
C46B—Ru1B—C44B173.8 (4)O3B—C46B—Ru1B174.8 (8)
C45B—Ru1B—As1B101.4 (3)O4B—C47B—Ru2B173.4 (8)
C46B—Ru1B—As1B95.1 (3)O5B—C48B—Ru2B177.0 (10)
C44B—Ru1B—As1B86.2 (3)O6B—C49B—Ru2B173.3 (8)
C45B—Ru1B—Ru3B105.8 (3)O7B—C50B—Ru3B173.7 (7)
C46B—Ru1B—Ru3B82.5 (3)O8B—C51B—Ru3B176.1 (8)
C44B—Ru1B—Ru3B93.6 (2)O9B—C52B—Ru3B173.0 (9)
As1B—Ru1B—Ru3B152.57 (3)
C45A—Ru1A—Ru2A—C47A85.1 (12)Ru3B—Ru1B—Ru2B—C47B100.1 (3)
C44A—Ru1A—Ru2A—C47A159.7 (4)C45B—Ru1B—Ru2B—C49B78.3 (13)
C46A—Ru1A—Ru2A—C47A18.7 (4)C46B—Ru1B—Ru2B—C49B157.5 (4)
As1A—Ru1A—Ru2A—C47A104.1 (3)C44B—Ru1B—Ru2B—C49B21.6 (4)
Ru3A—Ru1A—Ru2A—C47A77.4 (3)As1B—Ru1B—Ru2B—C49B107.5 (3)
C45A—Ru1A—Ru2A—C48A4.5 (16)Ru3B—Ru1B—Ru2B—C49B75.8 (3)
C44A—Ru1A—Ru2A—C48A70.0 (11)C45B—Ru1B—Ru2B—As2B170.1 (13)
C46A—Ru1A—Ru2A—C48A108.3 (11)C46B—Ru1B—Ru2B—As2B110.8 (3)
As1A—Ru1A—Ru2A—C48A166.2 (11)C44B—Ru1B—Ru2B—As2B70.1 (3)
Ru3A—Ru1A—Ru2A—C48A12.2 (11)As1B—Ru1B—Ru2B—As2B15.70 (4)
C45A—Ru1A—Ru2A—C49A92.2 (12)Ru3B—Ru1B—Ru2B—As2B167.52 (4)
C44A—Ru1A—Ru2A—C49A17.6 (4)C45B—Ru1B—Ru2B—Ru3B2.5 (13)
C46A—Ru1A—Ru2A—C49A164.0 (4)C46B—Ru1B—Ru2B—Ru3B81.7 (3)
As1A—Ru1A—Ru2A—C49A78.6 (3)C44B—Ru1B—Ru2B—Ru3B97.4 (3)
Ru3A—Ru1A—Ru2A—C49A99.9 (3)As1B—Ru1B—Ru2B—Ru3B176.78 (4)
C45A—Ru1A—Ru2A—As2A176.1 (12)C45B—Ru1B—Ru3B—C51B151.8 (8)
C44A—Ru1A—Ru2A—As2A109.3 (3)C46B—Ru1B—Ru3B—C51B122.5 (8)
C46A—Ru1A—Ru2A—As2A72.3 (3)C44B—Ru1B—Ru3B—C51B52.7 (7)
As1A—Ru1A—Ru2A—As2A13.14 (4)As1B—Ru1B—Ru3B—C51B35.9 (7)
Ru3A—Ru1A—Ru2A—As2A168.37 (4)Ru2B—Ru1B—Ru3B—C51B28.9 (7)
C45A—Ru1A—Ru2A—Ru3A7.7 (12)C45B—Ru1B—Ru3B—C52B101.6 (4)
C44A—Ru1A—Ru2A—Ru3A82.3 (3)C46B—Ru1B—Ru3B—C52B15.8 (4)
C46A—Ru1A—Ru2A—Ru3A96.1 (3)C44B—Ru1B—Ru3B—C52B159.3 (4)
As1A—Ru1A—Ru2A—Ru3A178.49 (4)As1B—Ru1B—Ru3B—C52B70.8 (3)
C45A—Ru1A—Ru3A—C51A153.0 (7)Ru2B—Ru1B—Ru3B—C52B77.8 (3)
C44A—Ru1A—Ru3A—C51A120.3 (7)C45B—Ru1B—Ru3B—C50B78.5 (4)
C46A—Ru1A—Ru3A—C51A55.8 (7)C46B—Ru1B—Ru3B—C50B164.3 (4)
As1A—Ru1A—Ru3A—C51A32.4 (6)C44B—Ru1B—Ru3B—C50B20.5 (3)
Ru2A—Ru1A—Ru3A—C51A29.1 (6)As1B—Ru1B—Ru3B—C50B109.1 (2)
C45A—Ru1A—Ru3A—C50A101.9 (4)Ru2B—Ru1B—Ru3B—C50B102.1 (2)
C44A—Ru1A—Ru3A—C50A15.2 (4)C45B—Ru1B—Ru3B—P1B7.5 (3)
C46A—Ru1A—Ru3A—C50A161.0 (4)C46B—Ru1B—Ru3B—P1B78.3 (3)
As1A—Ru1A—Ru3A—C50A72.8 (3)C44B—Ru1B—Ru3B—P1B106.6 (3)
Ru2A—Ru1A—Ru3A—C50A76.0 (3)As1B—Ru1B—Ru3B—P1B164.88 (10)
C45A—Ru1A—Ru3A—C52A76.2 (4)Ru2B—Ru1B—Ru3B—P1B171.88 (7)
C44A—Ru1A—Ru3A—C52A162.9 (4)C45B—Ru1B—Ru3B—Ru2B179.3 (3)
C46A—Ru1A—Ru3A—C52A20.9 (4)C46B—Ru1B—Ru3B—Ru2B93.6 (3)
As1A—Ru1A—Ru3A—C52A109.1 (2)C44B—Ru1B—Ru3B—Ru2B81.6 (3)
Ru2A—Ru1A—Ru3A—C52A105.9 (2)As1B—Ru1B—Ru3B—Ru2B7.00 (8)
C45A—Ru1A—Ru3A—P1A10.0 (3)C48B—Ru2B—Ru3B—C51B18.2 (5)
C44A—Ru1A—Ru3A—P1A76.7 (3)C47B—Ru2B—Ru3B—C51B109.9 (4)
C46A—Ru1A—Ru3A—P1A107.1 (3)C49B—Ru2B—Ru3B—C51B69.3 (4)
As1A—Ru1A—Ru3A—P1A164.70 (10)As2B—Ru2B—Ru3B—C51B142.1 (3)
Ru2A—Ru1A—Ru3A—P1A167.93 (7)Ru1B—Ru2B—Ru3B—C51B169.0 (3)
C45A—Ru1A—Ru3A—Ru2A177.9 (3)C48B—Ru2B—Ru3B—C52B71.8 (5)
C44A—Ru1A—Ru3A—Ru2A91.2 (3)C47B—Ru2B—Ru3B—C52B19.9 (4)
C46A—Ru1A—Ru3A—Ru2A85.0 (3)C49B—Ru2B—Ru3B—C52B159.2 (4)
As1A—Ru1A—Ru3A—Ru2A3.23 (8)As2B—Ru2B—Ru3B—C52B127.9 (3)
C47A—Ru2A—Ru3A—C51A72.7 (4)Ru1B—Ru2B—Ru3B—C52B101.0 (3)
C48A—Ru2A—Ru3A—C51A16.4 (5)C48B—Ru2B—Ru3B—C50B110.9 (4)
C49A—Ru2A—Ru3A—C51A109.2 (4)C47B—Ru2B—Ru3B—C50B157.4 (4)
As2A—Ru2A—Ru3A—C51A141.3 (3)C49B—Ru2B—Ru3B—C50B23.4 (4)
Ru1A—Ru2A—Ru3A—C51A167.7 (3)As2B—Ru2B—Ru3B—C50B49.5 (2)
C47A—Ru2A—Ru3A—C50A162.6 (4)Ru1B—Ru2B—Ru3B—C50B76.3 (2)
C48A—Ru2A—Ru3A—C50A73.5 (5)C48B—Ru2B—Ru3B—P1B152.1 (4)
C49A—Ru2A—Ru3A—C50A19.4 (4)C47B—Ru2B—Ru3B—P1B60.5 (3)
As2A—Ru2A—Ru3A—C50A128.9 (3)C49B—Ru2B—Ru3B—P1B120.4 (3)
Ru1A—Ru2A—Ru3A—C50A102.4 (3)As2B—Ru2B—Ru3B—P1B47.5 (2)
C47A—Ru2A—Ru3A—C52A20.7 (4)Ru1B—Ru2B—Ru3B—P1B20.64 (17)
C48A—Ru2A—Ru3A—C52A109.9 (4)C48B—Ru2B—Ru3B—Ru1B172.8 (4)
C49A—Ru2A—Ru3A—C52A157.3 (4)C47B—Ru2B—Ru3B—Ru1B81.1 (3)
As2A—Ru2A—Ru3A—C52A47.8 (3)C49B—Ru2B—Ru3B—Ru1B99.7 (3)
Ru1A—Ru2A—Ru3A—C52A74.2 (2)As2B—Ru2B—Ru3B—Ru1B26.88 (8)
C47A—Ru2A—Ru3A—P1A125.1 (3)C45B—Ru1B—As1B—C7B86.5 (4)
C48A—Ru2A—Ru3A—P1A145.7 (4)C46B—Ru1B—As1B—C7B2.4 (4)
C49A—Ru2A—Ru3A—P1A52.9 (3)C44B—Ru1B—As1B—C7B176.3 (4)
As2A—Ru2A—Ru3A—P1A56.58 (19)Ru3B—Ru1B—As1B—C7B86.0 (3)
Ru1A—Ru2A—Ru3A—P1A30.11 (16)Ru2B—Ru1B—As1B—C7B92.0 (3)
C47A—Ru2A—Ru3A—Ru1A95.0 (3)C45B—Ru1B—As1B—C1B35.6 (4)
C48A—Ru2A—Ru3A—Ru1A175.9 (4)C46B—Ru1B—As1B—C1B124.6 (4)
C49A—Ru2A—Ru3A—Ru1A83.0 (3)C44B—Ru1B—As1B—C1B61.5 (4)
As2A—Ru2A—Ru3A—Ru1A26.47 (8)Ru3B—Ru1B—As1B—C1B151.9 (3)
C45A—Ru1A—As1A—C7A84.8 (4)Ru2B—Ru1B—As1B—C1B145.9 (3)
C44A—Ru1A—As1A—C7A5.5 (4)C45B—Ru1B—As1B—C13B149.0 (4)
C46A—Ru1A—As1A—C7A179.8 (4)C46B—Ru1B—As1B—C13B122.0 (4)
Ru3A—Ru1A—As1A—C7A89.9 (3)C44B—Ru1B—As1B—C13B51.9 (4)
Ru2A—Ru1A—As1A—C7A92.7 (3)Ru3B—Ru1B—As1B—C13B38.5 (3)
C45A—Ru1A—As1A—C1A37.4 (4)Ru2B—Ru1B—As1B—C13B32.5 (3)
C44A—Ru1A—As1A—C1A127.8 (4)C48B—Ru2B—As2B—C20B62.6 (4)
C46A—Ru1A—As1A—C1A57.5 (4)C47B—Ru2B—As2B—C20B153.6 (4)
Ru3A—Ru1A—As1A—C1A147.9 (3)C49B—Ru2B—As2B—C20B27.7 (4)
Ru2A—Ru1A—As1A—C1A145.1 (3)Ru3B—Ru2B—As2B—C20B97.5 (3)
C45A—Ru1A—As1A—C13A151.3 (4)Ru1B—Ru2B—As2B—C20B120.5 (2)
C44A—Ru1A—As1A—C13A118.3 (4)C48B—Ru2B—As2B—C13B178.8 (5)
C46A—Ru1A—As1A—C13A56.4 (4)C47B—Ru2B—As2B—C13B87.8 (4)
Ru3A—Ru1A—As1A—C13A34.0 (3)C49B—Ru2B—As2B—C13B90.9 (4)
Ru2A—Ru1A—As1A—C13A31.2 (3)Ru3B—Ru2B—As2B—C13B21.0 (3)
C47A—Ru2A—As2A—C20A36.1 (4)Ru1B—Ru2B—As2B—C13B2.0 (3)
C48A—Ru2A—As2A—C20A55.7 (5)C48B—Ru2B—As2B—C14B53.0 (5)
C49A—Ru2A—As2A—C20A147.5 (4)C47B—Ru2B—As2B—C14B38.0 (4)
Ru3A—Ru2A—As2A—C20A101.8 (3)C49B—Ru2B—As2B—C14B143.2 (4)
Ru1A—Ru2A—As2A—C20A124.5 (3)Ru3B—Ru2B—As2B—C14B146.9 (3)
C47A—Ru2A—As2A—C14A150.3 (4)Ru1B—Ru2B—As2B—C14B123.9 (3)
C48A—Ru2A—As2A—C14A58.5 (5)C51B—Ru3B—P1B—O11B146.9 (4)
C49A—Ru2A—As2A—C14A33.3 (4)C52B—Ru3B—P1B—O11B54.9 (4)
Ru3A—Ru2A—As2A—C14A144.0 (3)C50B—Ru3B—P1B—O11B122.1 (4)
Ru1A—Ru2A—As2A—C14A121.3 (3)Ru1B—Ru3B—P1B—O11B41.3 (3)
C47A—Ru2A—As2A—C13A83.3 (4)Ru2B—Ru3B—P1B—O11B23.2 (4)
C48A—Ru2A—As2A—C13A175.1 (5)C51B—Ru3B—P1B—O10B26.3 (4)
C49A—Ru2A—As2A—C13A93.1 (4)C52B—Ru3B—P1B—O10B65.7 (4)
Ru3A—Ru2A—As2A—C13A17.6 (3)C50B—Ru3B—P1B—O10B117.3 (4)
Ru1A—Ru2A—As2A—C13A5.2 (3)Ru1B—Ru3B—P1B—O10B161.9 (3)
C51A—Ru3A—P1A—O12A124.1 (4)Ru2B—Ru3B—P1B—O10B143.8 (3)
C50A—Ru3A—P1A—O12A144.6 (4)C51B—Ru3B—P1B—O12B94.8 (4)
C52A—Ru3A—P1A—O12A32.4 (4)C52B—Ru3B—P1B—O12B173.1 (4)
Ru1A—Ru3A—P1A—O12A48.2 (3)C50B—Ru3B—P1B—O12B3.8 (4)
Ru2A—Ru3A—P1A—O12A74.3 (4)Ru1B—Ru3B—P1B—O12B76.9 (3)
C51A—Ru3A—P1A—O11A4.0 (4)Ru2B—Ru3B—P1B—O12B95.0 (3)
C50A—Ru3A—P1A—O11A87.3 (4)O11B—P1B—O10B—C26B163.7 (7)
C52A—Ru3A—P1A—O11A95.7 (4)O12B—P1B—O10B—C26B91.6 (7)
Ru1A—Ru3A—P1A—O11A176.3 (3)Ru3B—P1B—O10B—C26B32.6 (8)
Ru2A—Ru3A—P1A—O11A157.5 (3)O10B—P1B—O11B—C32B8.4 (8)
C51A—Ru3A—P1A—O10A123.2 (4)O12B—P1B—O11B—C32B114.5 (7)
C50A—Ru3A—P1A—O10A31.9 (4)Ru3B—P1B—O11B—C32B123.2 (7)
C52A—Ru3A—P1A—O10A145.1 (4)O11B—P1B—O12B—C38B43.5 (12)
Ru1A—Ru3A—P1A—O10A64.4 (3)O10B—P1B—O12B—C38B57.5 (12)
Ru2A—Ru3A—P1A—O10A38.3 (4)Ru3B—P1B—O12B—C38B172.0 (11)
O12A—P1A—O10A—C26A63.0 (9)O11B—P1B—O12B—C38C39.3 (12)
O11A—P1A—O10A—C26A39.9 (9)O10B—P1B—O12B—C38C61.8 (12)
Ru3A—P1A—O10A—C26A170.5 (7)Ru3B—P1B—O12B—C38C167.7 (11)
O12A—P1A—O11A—C32A147.5 (8)C7B—As1B—C1B—C2B50.7 (8)
O10A—P1A—O11A—C32A111.9 (8)C13B—As1B—C1B—C2B58.4 (8)
Ru3A—P1A—O11A—C32A11.3 (9)Ru1B—As1B—C1B—C2B179.7 (6)
O11A—P1A—O12A—C38A36.0 (9)C7B—As1B—C1B—C6B134.4 (7)
O10A—P1A—O12A—C38A140.0 (8)C13B—As1B—C1B—C6B116.5 (7)
Ru3A—P1A—O12A—C38A101.0 (8)Ru1B—As1B—C1B—C6B4.7 (8)
C7A—As1A—C1A—C6A131.5 (7)C6B—C1B—C2B—C3B1.3 (13)
C13A—As1A—C1A—C6A120.8 (7)As1B—C1B—C2B—C3B176.2 (7)
Ru1A—As1A—C1A—C6A1.8 (8)C1B—C2B—C3B—C4B0.6 (14)
C7A—As1A—C1A—C2A49.3 (7)C2B—C3B—C4B—C5B0.9 (15)
C13A—As1A—C1A—C2A58.3 (7)C3B—C4B—C5B—C6B1.8 (15)
Ru1A—As1A—C1A—C2A179.1 (6)C4B—C5B—C6B—C1B2.4 (14)
C6A—C1A—C2A—C3A1.4 (13)C2B—C1B—C6B—C5B2.2 (13)
As1A—C1A—C2A—C3A177.8 (6)As1B—C1B—C6B—C5B177.0 (7)
C1A—C2A—C3A—C4A1.5 (13)C1B—As1B—C7B—C12B79.3 (7)
C2A—C3A—C4A—C5A1.7 (13)C13B—As1B—C7B—C12B178.6 (6)
C3A—C4A—C5A—C6A1.8 (13)Ru1B—As1B—C7B—C12B51.3 (7)
C2A—C1A—C6A—C5A1.5 (13)C1B—As1B—C7B—C8B102.7 (8)
As1A—C1A—C6A—C5A177.7 (6)C13B—As1B—C7B—C8B0.6 (8)
C4A—C5A—C6A—C1A1.7 (13)Ru1B—As1B—C7B—C8B126.8 (7)
C1A—As1A—C7A—C8A99.9 (8)C12B—C7B—C8B—C9B0.5 (13)
C13A—As1A—C7A—C8A1.2 (8)As1B—C7B—C8B—C9B178.5 (7)
Ru1A—As1A—C7A—C8A129.3 (7)C7B—C8B—C9B—C10B0.8 (14)
C1A—As1A—C7A—C12A81.3 (7)C8B—C9B—C10B—C11B1.2 (14)
C13A—As1A—C7A—C12A177.5 (7)C9B—C10B—C11B—C12B1.3 (14)
Ru1A—As1A—C7A—C12A49.5 (7)C10B—C11B—C12B—C7B1.0 (14)
C12A—C7A—C8A—C9A1.4 (14)C8B—C7B—C12B—C11B0.6 (13)
As1A—C7A—C8A—C9A177.3 (7)As1B—C7B—C12B—C11B178.8 (7)
C7A—C8A—C9A—C10A1.1 (15)C20B—As2B—C13B—As1B149.4 (4)
C8A—C9A—C10A—C11A0.3 (15)C14B—As2B—C13B—As1B109.3 (5)
C9A—C10A—C11A—C12A0.1 (15)Ru2B—As2B—C13B—As1B24.6 (5)
C10A—C11A—C12A—C7A0.2 (15)C7B—As1B—C13B—As2B90.3 (5)
C8A—C7A—C12A—C11A0.9 (14)C1B—As1B—C13B—As2B165.0 (5)
As1A—C7A—C12A—C11A177.8 (7)Ru1B—As1B—C13B—As2B39.5 (5)
C20A—As2A—C13A—As1A152.3 (4)C20B—As2B—C14B—C19B75.1 (7)
C14A—As2A—C13A—As1A107.3 (4)C13B—As2B—C14B—C19B30.1 (8)
Ru2A—As2A—C13A—As1A27.0 (5)Ru2B—As2B—C14B—C19B160.9 (6)
C7A—As1A—C13A—As2A89.5 (5)C20B—As2B—C14B—C15B97.3 (7)
C1A—As1A—C13A—As2A166.3 (4)C13B—As2B—C14B—C15B157.5 (7)
Ru1A—As1A—C13A—As2A40.3 (5)Ru2B—As2B—C14B—C15B26.6 (8)
C20A—As2A—C14A—C15A94.7 (7)C19B—C14B—C15B—C16B1.6 (14)
C13A—As2A—C14A—C15A159.2 (6)As2B—C14B—C15B—C16B171.1 (7)
Ru2A—As2A—C14A—C15A28.6 (7)C14B—C15B—C16B—C17B3.0 (15)
C20A—As2A—C14A—C19A76.5 (7)C15B—C16B—C17B—C18B2.1 (14)
C13A—As2A—C14A—C19A29.6 (7)C15B—C14B—C19B—C18B0.7 (13)
Ru2A—As2A—C14A—C19A160.2 (6)As2B—C14B—C19B—C18B173.1 (6)
C19A—C14A—C15A—C16A1.2 (13)C14B—C19B—C18B—C17B1.6 (13)
As2A—C14A—C15A—C16A172.7 (7)C16B—C17B—C18B—C19B0.1 (14)
C14A—C15A—C16A—C17A1.0 (14)C13B—As2B—C20B—C21B164.8 (7)
C15A—C16A—C17A—C18A0.4 (14)C14B—As2B—C20B—C21B88.9 (7)
C16A—C17A—C18A—C19A0.1 (14)Ru2B—As2B—C20B—C21B39.4 (7)
C17A—C18A—C19A—C14A0.3 (13)C13B—As2B—C20B—C25B21.0 (8)
C15A—C14A—C19A—C18A0.9 (13)C14B—As2B—C20B—C25B85.4 (8)
As2A—C14A—C19A—C18A172.0 (7)Ru2B—As2B—C20B—C25B146.4 (7)
C14A—As2A—C20A—C25A88.8 (7)C25B—C20B—C21B—C22B0.2 (13)
C13A—As2A—C20A—C25A18.2 (8)As2B—C20B—C21B—C22B174.8 (7)
Ru2A—As2A—C20A—C25A143.3 (6)C20B—C21B—C22B—C23B0.9 (14)
C14A—As2A—C20A—C21A85.1 (7)C21B—C22B—C23B—C24B0.9 (14)
C13A—As2A—C20A—C21A168.0 (6)C22B—C23B—C24B—C25B0.3 (14)
Ru2A—As2A—C20A—C21A42.8 (7)C23B—C24B—C25B—C20B0.4 (14)
C25A—C20A—C21A—C22A0.2 (13)C21B—C20B—C25B—C24B0.4 (13)
As2A—C20A—C21A—C22A174.1 (7)As2B—C20B—C25B—C24B173.9 (7)
C20A—C21A—C22A—C23A0.4 (13)P1B—O10B—C26B—C27B113.5 (9)
C21A—C22A—C23A—C24A0.8 (14)P1B—O10B—C26B—C31B69.0 (10)
C22A—C23A—C24A—C25A0.6 (14)O10B—C26B—C27B—C28B176.5 (9)
C21A—C20A—C25A—C24A0.3 (13)C31B—C26B—C27B—C28B1.1 (15)
As2A—C20A—C25A—C24A173.8 (7)C26B—C27B—C28B—C29B0.3 (17)
C23A—C24A—C25A—C20A0.1 (14)C27B—C28B—C29B—C30B0.4 (17)
P1A—O10A—C26A—C27A152.0 (8)C28B—C29B—C30B—C31B0.2 (16)
P1A—O10A—C26A—C31A29.4 (14)C29B—C30B—C31B—C26B0.7 (14)
C31A—C26A—C27A—C28A0.6 (17)C27B—C26B—C31B—C30B1.3 (14)
O10A—C26A—C27A—C28A178.0 (10)O10B—C26B—C31B—C30B176.1 (8)
C26A—C27A—C28A—C29A0.4 (17)P1B—O11B—C32B—C37B106.0 (10)
C27A—C28A—C29A—C30A1.5 (16)P1B—O11B—C32B—C33B76.9 (9)
C28A—C29A—C30A—C31A1.7 (16)C37B—C32B—C33B—C34B0.2 (13)
C29A—C30A—C31A—C26A0.7 (15)O11B—C32B—C33B—C34B176.9 (7)
C27A—C26A—C31A—C30A0.4 (16)C32B—C33B—C34B—C35B0.9 (13)
O10A—C26A—C31A—C30A178.0 (9)C33B—C34B—C35B—C36B0.8 (14)
P1A—O11A—C32A—C37A79.0 (11)C34B—C35B—C36B—C37B0.4 (15)
P1A—O11A—C32A—C33A101.5 (10)C33B—C32B—C37B—C36B1.4 (15)
C37A—C32A—C33A—C34A1.8 (16)O11B—C32B—C37B—C36B175.7 (9)
O11A—C32A—C33A—C34A177.7 (9)C35B—C36B—C37B—C32B1.5 (16)
C32A—C33A—C34A—C35A1.9 (17)C38C—O12B—C38B—C39B99 (8)
C33A—C34A—C35A—C36A2.0 (19)P1B—O12B—C38B—C39B80 (2)
C34A—C35A—C36A—C37A2 (2)C38C—O12B—C38B—C43B82 (7)
C33A—C32A—C37A—C36A1.7 (17)P1B—O12B—C38B—C43B100 (2)
O11A—C32A—C37A—C36A177.8 (10)O12B—C38B—C39B—C40B177 (2)
C35A—C36A—C37A—C32A1.8 (19)C43B—C38B—C39B—C40B3 (3)
P1A—O12A—C38A—C43A134.9 (9)C38B—C39B—C40B—C41B3 (4)
P1A—O12A—C38A—C39A50.9 (13)C39B—C40B—C41B—C42B7 (4)
C43A—C38A—C39A—C40A1.3 (15)C40B—C41B—C42B—C43B16 (4)
O12A—C38A—C39A—C40A172.6 (9)C41B—C42B—C43B—C38B15 (4)
C38A—C39A—C40A—C41A3.8 (15)O12B—C38B—C43B—C42B174 (2)
C39A—C40A—C41A—C42A2.1 (16)C39B—C38B—C43B—C42B6 (4)
C40A—C41A—C42A—C43A2.0 (16)C38B—O12B—C38C—C43C103 (8)
O12A—C38A—C43A—C42A177.3 (9)P1B—O12B—C38C—C43C93 (3)
C39A—C38A—C43A—C42A2.9 (15)C38B—O12B—C38C—C39C79 (7)
C41A—C42A—C43A—C38A4.5 (15)P1B—O12B—C38C—C39C85 (3)
C45B—Ru1B—Ru2B—C48B19.1 (17)C43C—C38C—C39C—C40C19 (5)
C46B—Ru1B—Ru2B—C48B60.0 (11)O12B—C38C—C39C—C40C163 (3)
C44B—Ru1B—Ru2B—C48B119.1 (11)C38C—C39C—C40C—C41C23 (6)
As1B—Ru1B—Ru2B—C48B155.1 (11)C39C—C40C—C41C—C42C19 (6)
Ru3B—Ru1B—Ru2B—C48B21.7 (11)C40C—C41C—C42C—C43C10 (4)
C45B—Ru1B—Ru2B—C47B97.6 (13)C41C—C42C—C43C—C38C6 (4)
C46B—Ru1B—Ru2B—C47B18.4 (4)C39C—C38C—C43C—C42C10 (5)
C44B—Ru1B—Ru2B—C47B162.5 (4)O12B—C38C—C43C—C42C172 (3)
As1B—Ru1B—Ru2B—C47B76.7 (3)
Hydrogen-bond geometry (Å, º) top
Cg1, Cg2, Cg3 , Cg4, Cg5, Cg6 and Cg7 are the centroids of the C1B–C6B, C1A–C6A, C14A–C19A, C14A–C19A, C7A–C12A, C20B–C25B and C20A–C25A benzene rings, respectively.
D—H···AD—HH···AD···AD—H···A
C31A—H31A···O12A0.932.423.014 (13)121
C39A—H39A···O11A0.932.382.959 (11)120
C43B—H43B···O2B0.932.533.42 (2)158
C11A—H11A···Cg1i0.932.953.742 (12)144
C11B—H11B···Cg2ii0.932.853.664 (10)147
C16A—H16A···Cg1iii0.932.823.668 (10)151
C16B—H16B···Cg20.932.823.627 (10)146
C24A—H24A···Cg3iv0.932.963.719 (10)140
C24B—H24B···Cg4v0.932.913.679 (10)141
C36B—H36B···Cg5ii0.932.853.756 (12)166
C40A—H40A···Cg6vi0.932.823.660 (10)150
C40B—H40B···Cg7vii0.932.713.55 (2)150
C40C—H40C···Cg7vii0.932.703.56 (3)154
Symmetry codes: (i) x+1, y+1/2, z+3/2; (ii) x, y1/2, z+3/2; (iii) x, y+1, z; (iv) x, y+1/2, z+3/2; (v) x+1, y1/2, z+3/2; (vi) x+1, y+1, z+1; (vii) x, y+1, z+1.

Experimental details

Crystal data
Chemical formula[Ru3(C25H22As2)(C18H15O3P)(CO)9]
Mr1337.84
Crystal system, space groupMonoclinic, P21/c
Temperature (K)100
a, b, c (Å)15.6537 (3), 21.3662 (4), 30.1698 (6)
β (°) 90.125 (1)
V3)10090.6 (3)
Z8
Radiation typeMo Kα
µ (mm1)2.28
Crystal size (mm)0.25 × 0.23 × 0.04
Data collection
DiffractometerBruker SMART APEXII CCD area-detector
diffractometer
Absorption correctionMulti-scan
(SADABS; Bruker, 2005)
Tmin, Tmax0.604, 0.918
No. of measured, independent and
observed [I > 2σ(I)] reflections
235438, 29385, 22171
Rint0.080
(sin θ/λ)max1)0.703
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.059, 0.132, 1.07
No. of reflections29385
No. of parameters1275
No. of restraints174
H-atom treatmentH-atom parameters constrained
w = 1/[σ2(Fo2) + (0.0243P)2 + 105.7247P]
where P = (Fo2 + 2Fc2)/3
Δρmax, Δρmin (e Å3)2.75, 2.02

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

Hydrogen-bond geometry (Å, º) top
Cg1, Cg2, Cg3 , Cg4, Cg5, Cg6 and Cg7 are the centroids of the C1B–C6B, C1A–C6A, C14A–C19A, C14A–C19A, C7A–C12A, C20B–C25B and C20A–C25A benzene rings, respectively.
D—H···AD—HH···AD···AD—H···A
C31A—H31A···O12A0.932.423.014 (13)121
C39A—H39A···O11A0.932.382.959 (11)120
C43B—H43B···O2B0.932.533.42 (2)158
C11A—H11A···Cg1i0.932.953.742 (12)144
C11B—H11B···Cg2ii0.932.853.664 (10)147
C16A—H16A···Cg1iii0.932.823.668 (10)151
C16B—H16B···Cg20.932.823.627 (10)146
C24A—H24A···Cg3iv0.932.963.719 (10)140
C24B—H24B···Cg4v0.932.913.679 (10)141
C36B—H36B···Cg5ii0.932.853.756 (12)166
C40A—H40A···Cg6vi0.932.823.660 (10)150
C40B—H40B···Cg7vii0.932.713.55 (2)150
C40C—H40C···Cg7vii0.932.703.56 (3)154
Symmetry codes: (i) x+1, y+1/2, z+3/2; (ii) x, y1/2, z+3/2; (iii) x, y+1, z; (iv) x, y+1/2, z+3/2; (v) x+1, y1/2, z+3/2; (vi) x+1, y+1, z+1; (vii) x, y+1, z+1.
 

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