



Supporting information
![]() | Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536810001200/tk2607sup1.cif |
![]() | Structure factor file (CIF format) https://doi.org/10.1107/S1600536810001200/tk2607Isup2.hkl |
CCDC reference: 765044
Key indicators
- Single-crystal X-ray study
- T = 100 K
- Mean
(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
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.
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).
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).
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).
[Ru3(C25H22As2)(C18H15O3P)(CO)9] | F(000) = 5264 |
Mr = 1337.84 | Dx = 1.761 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 9830 reflections |
a = 15.6537 (3) Å | θ = 2.4–29.2° |
b = 21.3662 (4) Å | µ = 2.28 mm−1 |
c = 30.1698 (6) Å | T = 100 K |
β = 90.125 (1)° | Block, red |
V = 10090.6 (3) Å3 | 0.25 × 0.23 × 0.04 mm |
Z = 8 |
Bruker SMART APEXII CCD area-detector diffractometer | 29385 independent reflections |
Radiation source: fine-focus sealed tube | 22171 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.080 |
φ and ω scans | θmax = 30.0°, θmin = 1.0° |
Absorption correction: multi-scan (SADABS; Bruker, 2005) | h = −21→21 |
Tmin = 0.604, Tmax = 0.918 | k = −30→29 |
235438 measured reflections | l = −41→42 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.059 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.132 | H-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 parameters | Δρmax = 2.75 e Å−3 |
174 restraints | Δρmin = −2.02 e Å−3 |
[Ru3(C25H22As2)(C18H15O3P)(CO)9] | V = 10090.6 (3) Å3 |
Mr = 1337.84 | Z = 8 |
Monoclinic, P21/c | Mo Kα radiation |
a = 15.6537 (3) Å | µ = 2.28 mm−1 |
b = 21.3662 (4) Å | T = 100 K |
c = 30.1698 (6) Å | 0.25 × 0.23 × 0.04 mm |
β = 90.125 (1)° |
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 = 0.918 | Rint = 0.080 |
235438 measured reflections |
R[F2 > 2σ(F2)] = 0.059 | 174 restraints |
wR(F2) = 0.132 | H-atom parameters constrained |
S = 1.07 | w = 1/[σ2(Fo2) + (0.0243P)2 + 105.7247P] where P = (Fo2 + 2Fc2)/3 |
29385 reflections | Δρmax = 2.75 e Å−3 |
1275 parameters | Δρmin = −2.02 e Å−3 |
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. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Ru1A | 0.28173 (4) | 0.76421 (3) | 0.64426 (2) | 0.01788 (13) | |
Ru2A | 0.26063 (4) | 0.89647 (3) | 0.63474 (2) | 0.01799 (13) | |
Ru3A | 0.35416 (4) | 0.82713 (3) | 0.57030 (2) | 0.01912 (13) | |
As1A | 0.20409 (5) | 0.76330 (3) | 0.71392 (3) | 0.01517 (16) | |
As2A | 0.15232 (6) | 0.90735 (3) | 0.69237 (3) | 0.01558 (16) | |
P1A | 0.43840 (15) | 0.74851 (10) | 0.54556 (8) | 0.0236 (5) | |
O1A | 0.4568 (4) | 0.7873 (3) | 0.6862 (3) | 0.0389 (18) | |
O2A | 0.3396 (5) | 0.6296 (3) | 0.6344 (3) | 0.0470 (13) | |
O3A | 0.1042 (5) | 0.7454 (4) | 0.6046 (3) | 0.045 (2) | |
O4A | 0.1215 (4) | 0.8772 (4) | 0.5657 (3) | 0.046 (2) | |
O5A | 0.2849 (5) | 1.0281 (3) | 0.5992 (3) | 0.054 (2) | |
O6A | 0.4037 (5) | 0.9200 (4) | 0.7014 (3) | 0.0425 (19) | |
O7A | 0.5087 (5) | 0.8852 (4) | 0.6168 (3) | 0.0369 (17) | |
O8A | 0.3598 (5) | 0.9325 (3) | 0.5021 (2) | 0.0327 (16) | |
O9A | 0.2098 (4) | 0.7605 (3) | 0.5196 (2) | 0.0336 (15) | |
O10A | 0.5103 (4) | 0.7324 (3) | 0.5814 (2) | 0.0398 (16) | |
O11A | 0.4931 (4) | 0.7551 (3) | 0.5012 (2) | 0.0294 (10) | |
O12A | 0.4009 (5) | 0.6802 (3) | 0.5398 (2) | 0.0373 (16) | |
C1A | 0.1324 (5) | 0.6910 (3) | 0.7279 (3) | 0.0186 (17) | |
C2A | 0.0884 (6) | 0.6898 (4) | 0.7683 (3) | 0.0215 (18) | |
H2AA | 0.0953 | 0.7224 | 0.7884 | 0.026* | |
C3A | 0.0346 (6) | 0.6401 (4) | 0.7786 (3) | 0.0237 (19) | |
H3AA | 0.0046 | 0.6400 | 0.8052 | 0.028* | |
C4A | 0.0258 (6) | 0.5904 (4) | 0.7490 (3) | 0.028 (2) | |
H4AA | −0.0089 | 0.5565 | 0.7560 | 0.033* | |
C5A | 0.0693 (6) | 0.5918 (4) | 0.7088 (3) | 0.0244 (19) | |
H5AA | 0.0622 | 0.5593 | 0.6887 | 0.029* | |
C6A | 0.1239 (6) | 0.6419 (3) | 0.6983 (3) | 0.0223 (18) | |
H6AA | 0.1539 | 0.6420 | 0.6717 | 0.027* | |
C7A | 0.2706 (6) | 0.7713 (3) | 0.7674 (3) | 0.0207 (17) | |
C8A | 0.2528 (6) | 0.8145 (4) | 0.8010 (3) | 0.0262 (19) | |
H8AA | 0.2052 | 0.8403 | 0.7988 | 0.031* | |
C9A | 0.3057 (7) | 0.8186 (4) | 0.8371 (3) | 0.031 (2) | |
H9AA | 0.2943 | 0.8478 | 0.8591 | 0.038* | |
C10A | 0.3754 (7) | 0.7801 (5) | 0.8411 (3) | 0.034 (2) | |
H10A | 0.4107 | 0.7831 | 0.8659 | 0.041* | |
C11A | 0.3934 (7) | 0.7359 (5) | 0.8079 (4) | 0.035 (2) | |
H11A | 0.4405 | 0.7097 | 0.8106 | 0.042* | |
C12A | 0.3411 (6) | 0.7316 (4) | 0.7713 (3) | 0.0266 (19) | |
H12A | 0.3527 | 0.7023 | 0.7493 | 0.032* | |
C13A | 0.1143 (5) | 0.8278 (3) | 0.7180 (3) | 0.0164 (16) | |
H13A | 0.0636 | 0.8134 | 0.7025 | 0.020* | |
H13B | 0.0994 | 0.8341 | 0.7489 | 0.020* | |
C14A | 0.1714 (5) | 0.9620 (4) | 0.7431 (3) | 0.0193 (17) | |
C15A | 0.2239 (6) | 1.0135 (3) | 0.7376 (3) | 0.0211 (17) | |
H15A | 0.2541 | 1.0185 | 0.7114 | 0.025* | |
C16A | 0.2318 (6) | 1.0574 (4) | 0.7709 (3) | 0.0267 (19) | |
H16A | 0.2679 | 1.0916 | 0.7672 | 0.032* | |
C17A | 0.1858 (6) | 1.0506 (4) | 0.8101 (4) | 0.030 (2) | |
H17A | 0.1909 | 1.0804 | 0.8324 | 0.036* | |
C18A | 0.1323 (6) | 0.9995 (4) | 0.8159 (3) | 0.0240 (18) | |
H18A | 0.1016 | 0.9949 | 0.8420 | 0.029* | |
C19A | 0.1251 (5) | 0.9556 (4) | 0.7824 (3) | 0.0216 (18) | |
H19A | 0.0891 | 0.9214 | 0.7862 | 0.026* | |
C20A | 0.0468 (6) | 0.9467 (4) | 0.6727 (3) | 0.0184 (16) | |
C21A | 0.0568 (5) | 0.9991 (3) | 0.6452 (3) | 0.0183 (15) | |
H21A | 0.1107 | 1.0107 | 0.6352 | 0.022* | |
C22A | −0.0142 (6) | 1.0331 (4) | 0.6330 (3) | 0.0240 (18) | |
H22A | −0.0079 | 1.0681 | 0.6149 | 0.029* | |
C23A | −0.0957 (6) | 1.0160 (4) | 0.6475 (3) | 0.027 (2) | |
H23A | −0.1434 | 1.0389 | 0.6389 | 0.033* | |
C24A | −0.1044 (6) | 0.9639 (4) | 0.6752 (3) | 0.026 (2) | |
H24A | −0.1582 | 0.9522 | 0.6853 | 0.032* | |
C25A | −0.0323 (5) | 0.9291 (4) | 0.6878 (3) | 0.0213 (17) | |
H25A | −0.0381 | 0.8944 | 0.7061 | 0.026* | |
C26A | 0.5823 (6) | 0.6930 (4) | 0.5772 (4) | 0.032 (2) | |
C27A | 0.6492 (8) | 0.7085 (5) | 0.6032 (4) | 0.043 (3) | |
H27A | 0.6465 | 0.7435 | 0.6215 | 0.052* | |
C28A | 0.7219 (7) | 0.6715 (5) | 0.6025 (4) | 0.045 (3) | |
H28A | 0.7686 | 0.6818 | 0.6202 | 0.054* | |
C29A | 0.7251 (6) | 0.6196 (4) | 0.5756 (4) | 0.039 (2) | |
H29A | 0.7735 | 0.5944 | 0.5757 | 0.047* | |
C30A | 0.6594 (6) | 0.6053 (4) | 0.5494 (3) | 0.032 (2) | |
H30A | 0.6634 | 0.5706 | 0.5309 | 0.038* | |
C31A | 0.5850 (7) | 0.6409 (5) | 0.5491 (4) | 0.035 (2) | |
H31A | 0.5389 | 0.6304 | 0.5310 | 0.042* | |
C32A | 0.5065 (6) | 0.8110 (4) | 0.4778 (4) | 0.029 (2) | |
C33A | 0.4591 (7) | 0.8208 (5) | 0.4406 (4) | 0.037 (2) | |
H33A | 0.4180 | 0.7919 | 0.4318 | 0.045* | |
C34A | 0.4733 (7) | 0.8752 (6) | 0.4157 (4) | 0.051 (3) | |
H34A | 0.4425 | 0.8819 | 0.3898 | 0.061* | |
C35A | 0.5316 (7) | 0.9181 (6) | 0.4292 (5) | 0.053 (3) | |
H35A | 0.5394 | 0.9547 | 0.4130 | 0.063* | |
C36A | 0.5788 (8) | 0.9075 (6) | 0.4666 (5) | 0.058 (4) | |
H36A | 0.6200 | 0.9364 | 0.4752 | 0.070* | |
C37A | 0.5656 (7) | 0.8529 (5) | 0.4922 (4) | 0.038 (2) | |
H37A | 0.5963 | 0.8460 | 0.5182 | 0.046* | |
C38A | 0.3726 (6) | 0.6460 (4) | 0.5032 (4) | 0.026 (2) | |
C39A | 0.4202 (6) | 0.6384 (4) | 0.4643 (3) | 0.026 (2) | |
H39A | 0.4707 | 0.6608 | 0.4607 | 0.032* | |
C40A | 0.3936 (7) | 0.5991 (4) | 0.4321 (3) | 0.039 (2) | |
H40A | 0.4270 | 0.5924 | 0.4071 | 0.046* | |
C41A | 0.3145 (7) | 0.5687 (5) | 0.4370 (4) | 0.045 (3) | |
H41A | 0.2950 | 0.5426 | 0.4145 | 0.054* | |
C42A | 0.2655 (6) | 0.5764 (4) | 0.4743 (4) | 0.040 (2) | |
H42A | 0.2126 | 0.5570 | 0.4768 | 0.048* | |
C43A | 0.2973 (7) | 0.6145 (4) | 0.5089 (4) | 0.042 (2) | |
H43A | 0.2672 | 0.6182 | 0.5354 | 0.051* | |
C44A | 0.3913 (6) | 0.7820 (4) | 0.6693 (3) | 0.027 (2) | |
C45A | 0.3155 (7) | 0.6793 (4) | 0.6376 (3) | 0.029 (2) | |
C46A | 0.1712 (6) | 0.7545 (4) | 0.6167 (3) | 0.029 (2) | |
C47A | 0.1757 (6) | 0.8804 (4) | 0.5915 (3) | 0.029 (2) | |
C48A | 0.2756 (7) | 0.9794 (4) | 0.6137 (4) | 0.036 (2) | |
C49A | 0.3526 (7) | 0.9068 (4) | 0.6772 (3) | 0.029 (2) | |
C50A | 0.4490 (6) | 0.8638 (4) | 0.6023 (3) | 0.0236 (19) | |
C51A | 0.3595 (6) | 0.8920 (4) | 0.5265 (3) | 0.0260 (19) | |
C52A | 0.2589 (5) | 0.7859 (4) | 0.5402 (3) | 0.0235 (17) | |
Ru1B | 0.22582 (4) | 0.27062 (3) | 0.64659 (2) | 0.01799 (13) | |
Ru2B | 0.24102 (4) | 0.40383 (3) | 0.64090 (2) | 0.01776 (13) | |
Ru3B | 0.15314 (4) | 0.33614 (3) | 0.57451 (2) | 0.01808 (13) | |
As1B | 0.29672 (5) | 0.26613 (3) | 0.71723 (3) | 0.01568 (16) | |
As2B | 0.34802 (6) | 0.41124 (3) | 0.69863 (3) | 0.01577 (16) | |
P1B | 0.08199 (14) | 0.25486 (9) | 0.54490 (8) | 0.0205 (4) | |
O1B | 0.4092 (4) | 0.2680 (3) | 0.6091 (3) | 0.0393 (18) | |
O2B | 0.1823 (5) | 0.1329 (3) | 0.6334 (3) | 0.0470 (13) | |
O3B | 0.0452 (5) | 0.2821 (3) | 0.6864 (3) | 0.0347 (17) | |
O4B | 0.0959 (5) | 0.4135 (4) | 0.7089 (3) | 0.0399 (18) | |
O5B | 0.2015 (5) | 0.5377 (3) | 0.6150 (3) | 0.0427 (19) | |
O6B | 0.3839 (5) | 0.4010 (4) | 0.5702 (3) | 0.0411 (18) | |
O7B | 0.3105 (4) | 0.2841 (3) | 0.5243 (2) | 0.0306 (14) | |
O8B | 0.1389 (5) | 0.4418 (3) | 0.5070 (2) | 0.0333 (16) | |
O9B | −0.0092 (5) | 0.3839 (4) | 0.6217 (2) | 0.0375 (18) | |
O10B | 0.0052 (4) | 0.2665 (3) | 0.5104 (2) | 0.0238 (13) | |
O11B | 0.0345 (4) | 0.2080 (2) | 0.5758 (2) | 0.0294 (10) | |
O12B | 0.1469 (4) | 0.2095 (3) | 0.5183 (2) | 0.0292 (13) | |
C1B | 0.3687 (6) | 0.1935 (3) | 0.7305 (3) | 0.0185 (17) | |
C2B | 0.4093 (6) | 0.1907 (4) | 0.7702 (3) | 0.0232 (19) | |
H2BA | 0.4001 | 0.2217 | 0.7913 | 0.028* | |
C3B | 0.4653 (6) | 0.1410 (4) | 0.7794 (4) | 0.030 (2) | |
H3BA | 0.4929 | 0.1387 | 0.8066 | 0.037* | |
C4B | 0.4792 (6) | 0.0956 (4) | 0.7477 (3) | 0.029 (2) | |
H4BA | 0.5168 | 0.0629 | 0.7535 | 0.035* | |
C5B | 0.4377 (7) | 0.0984 (4) | 0.7077 (4) | 0.030 (2) | |
H5BA | 0.4462 | 0.0670 | 0.6868 | 0.036* | |
C6B | 0.3832 (6) | 0.1479 (4) | 0.6981 (3) | 0.0239 (19) | |
H6BA | 0.3567 | 0.1507 | 0.6705 | 0.029* | |
C7B | 0.2250 (6) | 0.2699 (4) | 0.7697 (3) | 0.0205 (17) | |
C8B | 0.2363 (6) | 0.3124 (4) | 0.8044 (3) | 0.0252 (19) | |
H8BA | 0.2813 | 0.3408 | 0.8036 | 0.030* | |
C9B | 0.1797 (7) | 0.3123 (4) | 0.8405 (3) | 0.031 (2) | |
H9BA | 0.1879 | 0.3403 | 0.8637 | 0.037* | |
C10B | 0.1118 (6) | 0.2707 (4) | 0.8417 (4) | 0.030 (2) | |
H10B | 0.0738 | 0.2713 | 0.8653 | 0.036* | |
C11B | 0.1009 (6) | 0.2289 (4) | 0.8079 (3) | 0.030 (2) | |
H11B | 0.0561 | 0.2003 | 0.8088 | 0.035* | |
C12B | 0.1564 (6) | 0.2289 (4) | 0.7723 (3) | 0.0221 (17) | |
H12B | 0.1476 | 0.2005 | 0.7494 | 0.027* | |
C13B | 0.3844 (5) | 0.3313 (3) | 0.7240 (3) | 0.0196 (17) | |
H13C | 0.3969 | 0.3370 | 0.7552 | 0.023* | |
H13D | 0.4365 | 0.3177 | 0.7095 | 0.023* | |
C14B | 0.3287 (5) | 0.4648 (4) | 0.7504 (3) | 0.0201 (17) | |
C15B | 0.2751 (6) | 0.5159 (4) | 0.7457 (3) | 0.0233 (18) | |
H15B | 0.2434 | 0.5204 | 0.7198 | 0.028* | |
C16B | 0.2678 (6) | 0.5603 (4) | 0.7789 (3) | 0.028 (2) | |
H16B | 0.2334 | 0.5953 | 0.7746 | 0.034* | |
C17B | 0.3106 (6) | 0.5527 (4) | 0.8177 (3) | 0.0244 (19) | |
H17B | 0.3043 | 0.5818 | 0.8404 | 0.029* | |
C19B | 0.3742 (5) | 0.4573 (4) | 0.7893 (3) | 0.0210 (17) | |
H19B | 0.4110 | 0.4235 | 0.7928 | 0.025* | |
C18B | 0.3644 (6) | 0.5010 (4) | 0.8234 (3) | 0.0241 (18) | |
H18B | 0.3938 | 0.4957 | 0.8500 | 0.029* | |
C20B | 0.4551 (6) | 0.4482 (3) | 0.6796 (3) | 0.0195 (17) | |
C21B | 0.4517 (6) | 0.4984 (4) | 0.6507 (3) | 0.0249 (19) | |
H21B | 0.3990 | 0.5107 | 0.6394 | 0.030* | |
C22B | 0.5240 (7) | 0.5309 (4) | 0.6380 (3) | 0.029 (2) | |
H22B | 0.5203 | 0.5641 | 0.6182 | 0.034* | |
C23B | 0.6013 (7) | 0.5131 (4) | 0.6552 (3) | 0.032 (2) | |
H23B | 0.6504 | 0.5348 | 0.6474 | 0.038* | |
C24B | 0.6068 (6) | 0.4637 (4) | 0.6839 (3) | 0.028 (2) | |
H24B | 0.6597 | 0.4520 | 0.6952 | 0.033* | |
C25B | 0.5344 (6) | 0.4309 (4) | 0.6962 (3) | 0.0248 (19) | |
H25B | 0.5390 | 0.3972 | 0.7155 | 0.030* | |
C26B | 0.0026 (6) | 0.3163 (4) | 0.4807 (3) | 0.0232 (18) | |
C27B | −0.0607 (6) | 0.3607 (5) | 0.4872 (4) | 0.032 (2) | |
H27B | −0.0971 | 0.3580 | 0.5114 | 0.039* | |
C28B | −0.0686 (7) | 0.4087 (5) | 0.4572 (4) | 0.041 (3) | |
H28B | −0.1108 | 0.4389 | 0.4610 | 0.049* | |
C29B | −0.0129 (7) | 0.4122 (4) | 0.4211 (4) | 0.035 (2) | |
H29B | −0.0187 | 0.4447 | 0.4008 | 0.042* | |
C30B | 0.0487 (6) | 0.3693 (4) | 0.4153 (3) | 0.030 (2) | |
H30B | 0.0852 | 0.3724 | 0.3911 | 0.036* | |
C31B | 0.0583 (6) | 0.3208 (4) | 0.4448 (3) | 0.0253 (19) | |
H31B | 0.1014 | 0.2913 | 0.4409 | 0.030* | |
C32B | −0.0539 (6) | 0.1892 (4) | 0.5767 (3) | 0.0238 (18) | |
C33B | −0.0819 (6) | 0.1475 (4) | 0.5453 (3) | 0.0253 (19) | |
H33B | −0.0452 | 0.1335 | 0.5232 | 0.030* | |
C34B | −0.1656 (6) | 0.1267 (4) | 0.5470 (3) | 0.030 (2) | |
H34B | −0.1854 | 0.0989 | 0.5256 | 0.036* | |
C35B | −0.2202 (6) | 0.1468 (4) | 0.5802 (3) | 0.032 (2) | |
H35B | −0.2761 | 0.1322 | 0.5813 | 0.038* | |
C36B | −0.1908 (7) | 0.1891 (5) | 0.6119 (4) | 0.041 (3) | |
H36B | −0.2264 | 0.2029 | 0.6345 | 0.049* | |
C37B | −0.1064 (6) | 0.2102 (4) | 0.6089 (4) | 0.034 (2) | |
H37B | −0.0862 | 0.2392 | 0.6294 | 0.041* | |
C38B | 0.1337 (15) | 0.1524 (7) | 0.4998 (7) | 0.024 (4) | 0.60 (3) |
C39B | 0.0950 (13) | 0.1458 (6) | 0.4591 (6) | 0.021 (3) | 0.60 (3) |
H39B | 0.0793 | 0.1808 | 0.4427 | 0.025* | 0.60 (3) |
C40B | 0.080 (2) | 0.0872 (8) | 0.4431 (7) | 0.035 (6) | 0.60 (3) |
H40B | 0.0516 | 0.0827 | 0.4161 | 0.042* | 0.60 (3) |
C41B | 0.1051 (17) | 0.0348 (6) | 0.4656 (6) | 0.040 (4) | 0.60 (3) |
H41B | 0.0891 | −0.0049 | 0.4560 | 0.048* | 0.60 (3) |
C42B | 0.156 (2) | 0.0426 (8) | 0.5042 (7) | 0.060 (6) | 0.60 (3) |
H42B | 0.1864 | 0.0091 | 0.5162 | 0.071* | 0.60 (3) |
C43B | 0.1608 (17) | 0.1005 (7) | 0.5231 (7) | 0.042 (5) | 0.60 (3) |
H43B | 0.1820 | 0.1050 | 0.5518 | 0.050* | 0.60 (3) |
C38C | 0.117 (2) | 0.1477 (10) | 0.5043 (9) | 0.018 (6)* | 0.40 (3) |
C39C | 0.074 (2) | 0.1428 (11) | 0.4646 (9) | 0.021 (6)* | 0.40 (3) |
H39C | 0.0507 | 0.1780 | 0.4510 | 0.025* | 0.40 (3) |
C40C | 0.065 (3) | 0.0850 (12) | 0.4458 (10) | 0.024 (6)* | 0.40 (3) |
H40C | 0.0560 | 0.0817 | 0.4155 | 0.029* | 0.40 (3) |
C41C | 0.0708 (19) | 0.0318 (11) | 0.4710 (8) | 0.036 (6)* | 0.40 (3) |
H41C | 0.0494 | −0.0063 | 0.4609 | 0.043* | 0.40 (3) |
C42C | 0.1105 (16) | 0.0373 (9) | 0.5131 (7) | 0.022 (5)* | 0.40 (3) |
H42C | 0.1238 | 0.0015 | 0.5293 | 0.026* | 0.40 (3) |
C43C | 0.1294 (19) | 0.0950 (10) | 0.5299 (8) | 0.029 (6)* | 0.40 (3) |
H43C | 0.1503 | 0.0988 | 0.5587 | 0.035* | 0.40 (3) |
C44B | 0.3398 (6) | 0.2701 (4) | 0.6208 (3) | 0.0255 (19) | |
C45B | 0.1993 (6) | 0.1853 (4) | 0.6371 (3) | 0.028 (2) | |
C46B | 0.1126 (6) | 0.2808 (4) | 0.6710 (3) | 0.026 (2) | |
C47B | 0.1497 (7) | 0.4062 (4) | 0.6822 (4) | 0.031 (2) | |
C48B | 0.2187 (7) | 0.4875 (4) | 0.6247 (4) | 0.036 (2) | |
C49B | 0.3283 (6) | 0.3990 (4) | 0.5953 (3) | 0.027 (2) | |
C50B | 0.2552 (6) | 0.3038 (4) | 0.5450 (3) | 0.0236 (17) | |
C51B | 0.1415 (6) | 0.4010 (4) | 0.5322 (3) | 0.0252 (19) | |
C52B | 0.0540 (7) | 0.3662 (4) | 0.6067 (3) | 0.029 (2) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ru1A | 0.0197 (3) | 0.0122 (2) | 0.0218 (3) | −0.0001 (2) | 0.0014 (3) | 0.0005 (2) |
Ru2A | 0.0161 (3) | 0.0126 (2) | 0.0253 (3) | 0.0002 (2) | 0.0020 (3) | 0.0024 (2) |
Ru3A | 0.0172 (3) | 0.0163 (3) | 0.0240 (3) | −0.0009 (2) | 0.0032 (3) | 0.0005 (2) |
As1A | 0.0159 (4) | 0.0091 (3) | 0.0205 (4) | 0.0006 (3) | −0.0004 (3) | 0.0016 (3) |
As2A | 0.0155 (4) | 0.0090 (3) | 0.0222 (4) | 0.0004 (3) | −0.0003 (3) | 0.0011 (3) |
P1A | 0.0259 (11) | 0.0176 (9) | 0.0272 (12) | −0.0021 (8) | 0.0064 (9) | −0.0051 (8) |
O1A | 0.018 (4) | 0.041 (4) | 0.058 (5) | −0.004 (3) | −0.011 (3) | 0.010 (4) |
O2A | 0.069 (4) | 0.0167 (18) | 0.055 (3) | −0.002 (2) | −0.006 (3) | 0.0006 (19) |
O3A | 0.037 (4) | 0.061 (5) | 0.038 (4) | −0.025 (4) | −0.011 (3) | 0.013 (4) |
O4A | 0.022 (3) | 0.068 (5) | 0.047 (5) | 0.021 (3) | −0.006 (3) | −0.010 (4) |
O5A | 0.032 (4) | 0.031 (4) | 0.099 (7) | 0.010 (3) | 0.024 (4) | 0.026 (4) |
O6A | 0.020 (4) | 0.054 (4) | 0.054 (5) | 0.000 (3) | −0.009 (3) | −0.020 (4) |
O7A | 0.026 (4) | 0.046 (4) | 0.039 (4) | −0.013 (3) | 0.004 (3) | −0.009 (3) |
O8A | 0.033 (4) | 0.023 (3) | 0.041 (4) | 0.000 (3) | 0.011 (3) | 0.011 (3) |
O9A | 0.032 (4) | 0.033 (3) | 0.036 (4) | −0.006 (3) | −0.006 (3) | 0.000 (3) |
O10A | 0.039 (4) | 0.043 (4) | 0.038 (4) | 0.018 (3) | 0.001 (3) | −0.004 (3) |
O11A | 0.020 (2) | 0.0160 (18) | 0.052 (3) | −0.0006 (15) | −0.005 (2) | 0.0024 (19) |
O12A | 0.051 (4) | 0.024 (3) | 0.037 (4) | −0.004 (3) | 0.008 (3) | 0.002 (3) |
C1A | 0.014 (4) | 0.013 (3) | 0.028 (5) | 0.002 (3) | 0.001 (3) | 0.004 (3) |
C2A | 0.017 (4) | 0.017 (4) | 0.031 (5) | 0.002 (3) | 0.001 (4) | −0.001 (3) |
C3A | 0.020 (4) | 0.018 (4) | 0.033 (5) | −0.001 (3) | 0.001 (4) | 0.012 (3) |
C4A | 0.030 (5) | 0.012 (3) | 0.041 (6) | −0.007 (3) | −0.004 (4) | 0.009 (3) |
C5A | 0.026 (5) | 0.015 (3) | 0.032 (5) | 0.001 (3) | −0.011 (4) | −0.003 (3) |
C6A | 0.027 (5) | 0.011 (3) | 0.029 (5) | 0.001 (3) | −0.002 (4) | 0.003 (3) |
C7A | 0.018 (4) | 0.015 (3) | 0.028 (5) | −0.001 (3) | 0.000 (4) | 0.005 (3) |
C8A | 0.023 (4) | 0.020 (4) | 0.036 (5) | 0.003 (3) | −0.009 (4) | −0.001 (3) |
C9A | 0.034 (5) | 0.028 (4) | 0.032 (5) | −0.005 (4) | −0.009 (4) | −0.002 (4) |
C10A | 0.042 (6) | 0.036 (5) | 0.023 (5) | −0.012 (4) | −0.017 (4) | 0.008 (4) |
C11A | 0.027 (5) | 0.046 (6) | 0.032 (6) | 0.006 (4) | −0.002 (4) | 0.015 (5) |
C12A | 0.026 (5) | 0.030 (4) | 0.023 (5) | 0.005 (4) | −0.005 (4) | 0.006 (3) |
C13A | 0.010 (4) | 0.013 (3) | 0.026 (4) | 0.004 (2) | 0.002 (3) | 0.001 (3) |
C14A | 0.019 (4) | 0.015 (3) | 0.023 (4) | 0.004 (3) | 0.002 (3) | 0.002 (3) |
C15A | 0.026 (5) | 0.011 (3) | 0.027 (4) | 0.002 (3) | 0.003 (3) | 0.003 (3) |
C16A | 0.028 (5) | 0.017 (3) | 0.035 (5) | −0.002 (3) | −0.002 (4) | −0.002 (3) |
C17A | 0.032 (5) | 0.023 (4) | 0.037 (6) | 0.003 (3) | −0.006 (4) | −0.006 (4) |
C18A | 0.026 (5) | 0.023 (4) | 0.023 (4) | 0.000 (3) | 0.001 (4) | 0.002 (3) |
C19A | 0.015 (4) | 0.017 (3) | 0.033 (5) | 0.000 (3) | −0.002 (3) | −0.001 (3) |
C20A | 0.021 (4) | 0.015 (3) | 0.019 (4) | 0.002 (3) | −0.002 (3) | −0.002 (3) |
C21A | 0.018 (4) | 0.014 (3) | 0.023 (4) | −0.002 (3) | 0.003 (3) | 0.001 (3) |
C22A | 0.035 (5) | 0.018 (3) | 0.019 (4) | 0.008 (3) | 0.000 (4) | 0.002 (3) |
C23A | 0.028 (5) | 0.021 (4) | 0.032 (5) | 0.013 (3) | −0.013 (4) | −0.004 (4) |
C24A | 0.018 (4) | 0.025 (4) | 0.036 (5) | 0.008 (3) | −0.001 (4) | −0.002 (4) |
C25A | 0.019 (4) | 0.017 (3) | 0.028 (5) | 0.001 (3) | 0.003 (3) | −0.002 (3) |
C26A | 0.031 (5) | 0.029 (4) | 0.036 (5) | 0.014 (4) | 0.010 (4) | 0.007 (4) |
C27A | 0.055 (7) | 0.033 (5) | 0.043 (6) | 0.006 (5) | −0.014 (6) | −0.003 (4) |
C28A | 0.047 (7) | 0.035 (5) | 0.054 (7) | −0.005 (4) | −0.020 (6) | 0.011 (5) |
C29A | 0.029 (5) | 0.036 (5) | 0.051 (6) | 0.001 (4) | 0.009 (5) | 0.013 (5) |
C30A | 0.033 (5) | 0.034 (5) | 0.029 (5) | 0.005 (4) | 0.004 (4) | 0.005 (4) |
C31A | 0.030 (5) | 0.035 (5) | 0.040 (6) | 0.008 (4) | −0.003 (5) | −0.004 (4) |
C32A | 0.028 (5) | 0.018 (4) | 0.041 (6) | 0.001 (3) | 0.012 (4) | 0.002 (4) |
C33A | 0.032 (5) | 0.048 (6) | 0.032 (6) | 0.007 (4) | 0.000 (4) | −0.010 (5) |
C34A | 0.033 (6) | 0.080 (9) | 0.040 (7) | 0.021 (6) | 0.012 (5) | 0.023 (6) |
C35A | 0.024 (5) | 0.060 (7) | 0.074 (9) | 0.000 (5) | 0.016 (6) | 0.033 (7) |
C36A | 0.030 (6) | 0.044 (6) | 0.101 (11) | −0.019 (5) | 0.008 (7) | 0.027 (7) |
C37A | 0.033 (6) | 0.038 (5) | 0.042 (6) | −0.009 (4) | 0.001 (5) | 0.006 (5) |
C38A | 0.021 (4) | 0.016 (3) | 0.041 (6) | 0.002 (3) | 0.000 (4) | −0.005 (3) |
C39A | 0.023 (5) | 0.021 (4) | 0.035 (5) | −0.005 (3) | 0.001 (4) | −0.004 (3) |
C40A | 0.055 (7) | 0.031 (5) | 0.030 (5) | 0.002 (4) | 0.007 (5) | −0.004 (4) |
C41A | 0.045 (6) | 0.038 (5) | 0.050 (7) | −0.006 (4) | 0.004 (5) | −0.011 (5) |
C42A | 0.028 (5) | 0.033 (5) | 0.060 (7) | 0.000 (4) | 0.007 (5) | −0.015 (4) |
C43A | 0.046 (6) | 0.032 (5) | 0.049 (7) | −0.006 (4) | 0.010 (5) | −0.008 (4) |
C44A | 0.028 (5) | 0.020 (4) | 0.033 (5) | 0.005 (3) | 0.008 (4) | 0.009 (4) |
C45A | 0.044 (6) | 0.021 (4) | 0.022 (5) | 0.000 (3) | 0.006 (4) | 0.001 (3) |
C46A | 0.032 (5) | 0.035 (4) | 0.021 (5) | −0.017 (4) | −0.004 (4) | 0.011 (4) |
C47A | 0.028 (5) | 0.031 (4) | 0.029 (5) | 0.003 (4) | −0.005 (4) | 0.010 (4) |
C48A | 0.032 (5) | 0.025 (4) | 0.050 (6) | 0.005 (4) | 0.022 (5) | 0.015 (4) |
C49A | 0.025 (5) | 0.026 (4) | 0.038 (6) | 0.002 (4) | 0.008 (4) | −0.010 (4) |
C50A | 0.018 (4) | 0.026 (4) | 0.027 (5) | 0.000 (3) | 0.009 (4) | −0.004 (3) |
C51A | 0.025 (5) | 0.018 (3) | 0.035 (5) | −0.002 (3) | 0.004 (4) | −0.005 (3) |
C52A | 0.016 (4) | 0.021 (4) | 0.033 (5) | 0.001 (3) | −0.001 (4) | 0.003 (3) |
Ru1B | 0.0209 (3) | 0.0121 (2) | 0.0210 (3) | −0.0001 (2) | −0.0020 (3) | 0.0000 (2) |
Ru2B | 0.0174 (3) | 0.0125 (2) | 0.0234 (3) | 0.0012 (2) | −0.0031 (3) | −0.0005 (2) |
Ru3B | 0.0188 (3) | 0.0156 (3) | 0.0199 (3) | 0.0014 (2) | −0.0027 (3) | −0.0007 (2) |
As1B | 0.0158 (4) | 0.0100 (3) | 0.0212 (4) | 0.0000 (3) | −0.0006 (3) | 0.0010 (3) |
As2B | 0.0141 (4) | 0.0097 (3) | 0.0235 (4) | 0.0002 (3) | −0.0014 (3) | 0.0014 (3) |
P1B | 0.0237 (11) | 0.0152 (8) | 0.0225 (11) | 0.0001 (7) | −0.0034 (9) | −0.0016 (8) |
O1B | 0.026 (3) | 0.044 (4) | 0.049 (5) | 0.014 (3) | 0.009 (3) | 0.009 (3) |
O2B | 0.069 (4) | 0.0167 (18) | 0.055 (3) | −0.002 (2) | −0.006 (3) | 0.0006 (19) |
O3B | 0.023 (4) | 0.037 (4) | 0.044 (4) | −0.005 (3) | 0.004 (3) | 0.012 (3) |
O4B | 0.032 (4) | 0.055 (5) | 0.033 (4) | −0.004 (3) | 0.006 (3) | −0.020 (4) |
O5B | 0.056 (5) | 0.020 (3) | 0.052 (5) | 0.014 (3) | −0.021 (4) | 0.006 (3) |
O6B | 0.035 (4) | 0.052 (4) | 0.037 (4) | −0.012 (3) | 0.010 (3) | −0.011 (4) |
O7B | 0.028 (3) | 0.031 (3) | 0.033 (4) | 0.000 (3) | 0.007 (3) | −0.002 (3) |
O8B | 0.049 (4) | 0.021 (3) | 0.030 (4) | −0.002 (3) | −0.005 (3) | 0.008 (3) |
O9B | 0.026 (4) | 0.047 (4) | 0.040 (4) | 0.016 (3) | −0.002 (3) | −0.005 (3) |
O10B | 0.030 (3) | 0.017 (3) | 0.025 (3) | −0.004 (2) | −0.011 (3) | 0.004 (2) |
O11B | 0.020 (2) | 0.0160 (18) | 0.052 (3) | −0.0006 (15) | −0.005 (2) | 0.0024 (19) |
O12B | 0.027 (3) | 0.022 (3) | 0.039 (4) | −0.003 (2) | −0.002 (3) | −0.013 (2) |
C1B | 0.024 (5) | 0.006 (3) | 0.025 (4) | 0.003 (3) | 0.000 (3) | 0.002 (3) |
C2B | 0.021 (4) | 0.011 (3) | 0.037 (5) | −0.003 (3) | −0.004 (4) | 0.004 (3) |
C3B | 0.020 (5) | 0.020 (4) | 0.051 (7) | 0.002 (3) | −0.015 (4) | 0.008 (4) |
C4B | 0.028 (5) | 0.022 (4) | 0.037 (6) | 0.005 (3) | 0.003 (4) | 0.012 (4) |
C5B | 0.037 (5) | 0.016 (4) | 0.038 (6) | 0.007 (3) | 0.004 (4) | 0.002 (4) |
C6B | 0.024 (4) | 0.019 (4) | 0.029 (5) | 0.004 (3) | 0.007 (4) | 0.007 (3) |
C7B | 0.020 (4) | 0.020 (4) | 0.022 (4) | 0.004 (3) | 0.000 (3) | 0.003 (3) |
C8B | 0.028 (5) | 0.015 (3) | 0.033 (5) | −0.001 (3) | −0.002 (4) | −0.003 (3) |
C9B | 0.051 (6) | 0.019 (4) | 0.023 (5) | 0.004 (4) | −0.001 (4) | 0.000 (3) |
C10B | 0.026 (5) | 0.026 (4) | 0.036 (6) | 0.003 (3) | 0.005 (4) | 0.012 (4) |
C11B | 0.019 (4) | 0.034 (5) | 0.036 (6) | −0.002 (3) | 0.000 (4) | 0.005 (4) |
C12B | 0.016 (4) | 0.020 (4) | 0.030 (5) | −0.001 (3) | −0.001 (4) | 0.001 (3) |
C13B | 0.017 (4) | 0.011 (3) | 0.031 (5) | −0.003 (3) | −0.005 (3) | 0.003 (3) |
C14B | 0.015 (4) | 0.016 (3) | 0.029 (5) | −0.003 (3) | 0.004 (3) | −0.006 (3) |
C15B | 0.023 (4) | 0.017 (3) | 0.030 (5) | 0.006 (3) | −0.002 (4) | −0.007 (3) |
C16B | 0.032 (5) | 0.014 (3) | 0.039 (5) | 0.005 (3) | 0.007 (4) | −0.009 (3) |
C17B | 0.026 (5) | 0.021 (4) | 0.026 (5) | −0.001 (3) | 0.005 (4) | −0.011 (3) |
C19B | 0.019 (4) | 0.014 (3) | 0.030 (5) | 0.003 (3) | −0.006 (3) | 0.000 (3) |
C18B | 0.025 (5) | 0.021 (4) | 0.026 (5) | −0.002 (3) | −0.002 (4) | −0.003 (3) |
C20B | 0.022 (4) | 0.011 (3) | 0.025 (5) | −0.002 (3) | 0.006 (3) | −0.001 (3) |
C21B | 0.031 (5) | 0.014 (3) | 0.029 (5) | −0.003 (3) | 0.005 (4) | 0.000 (3) |
C22B | 0.047 (6) | 0.016 (3) | 0.022 (5) | −0.010 (3) | 0.005 (4) | 0.000 (3) |
C23B | 0.033 (5) | 0.029 (4) | 0.034 (6) | −0.005 (4) | 0.005 (4) | −0.013 (4) |
C24B | 0.024 (5) | 0.016 (4) | 0.043 (6) | −0.001 (3) | 0.001 (4) | −0.009 (4) |
C25B | 0.021 (4) | 0.023 (4) | 0.031 (5) | −0.001 (3) | 0.003 (4) | 0.000 (3) |
C26B | 0.031 (5) | 0.020 (4) | 0.018 (4) | −0.001 (3) | −0.009 (4) | 0.001 (3) |
C27B | 0.020 (5) | 0.039 (5) | 0.038 (6) | 0.008 (4) | 0.005 (4) | 0.006 (4) |
C28B | 0.026 (5) | 0.035 (5) | 0.061 (8) | 0.003 (4) | −0.005 (5) | 0.012 (5) |
C29B | 0.031 (5) | 0.029 (4) | 0.046 (6) | −0.001 (4) | 0.002 (5) | 0.012 (4) |
C30B | 0.028 (5) | 0.033 (4) | 0.028 (5) | −0.006 (4) | 0.001 (4) | −0.001 (4) |
C31B | 0.030 (5) | 0.024 (4) | 0.021 (5) | 0.000 (3) | 0.004 (4) | −0.001 (3) |
C32B | 0.025 (4) | 0.021 (4) | 0.026 (5) | 0.000 (3) | −0.004 (4) | 0.010 (3) |
C33B | 0.031 (5) | 0.026 (4) | 0.019 (5) | 0.001 (3) | −0.001 (4) | 0.000 (3) |
C34B | 0.040 (5) | 0.027 (4) | 0.023 (5) | −0.005 (4) | −0.009 (4) | 0.003 (3) |
C35B | 0.022 (4) | 0.037 (5) | 0.036 (5) | −0.002 (4) | 0.005 (4) | 0.010 (4) |
C36B | 0.030 (5) | 0.041 (6) | 0.051 (7) | 0.007 (4) | 0.011 (5) | −0.009 (5) |
C37B | 0.035 (5) | 0.029 (4) | 0.037 (6) | −0.002 (4) | 0.001 (4) | −0.007 (4) |
C38B | 0.018 (9) | 0.016 (5) | 0.037 (8) | 0.001 (5) | 0.007 (7) | −0.009 (5) |
C39B | 0.022 (8) | 0.012 (5) | 0.030 (7) | −0.001 (5) | 0.015 (6) | 0.000 (5) |
C40B | 0.051 (15) | 0.017 (6) | 0.038 (9) | 0.012 (7) | 0.001 (9) | −0.009 (5) |
C41B | 0.066 (12) | 0.010 (5) | 0.044 (9) | −0.002 (7) | −0.003 (8) | −0.011 (5) |
C42B | 0.082 (14) | 0.027 (6) | 0.069 (11) | 0.020 (9) | −0.026 (10) | −0.010 (7) |
C43B | 0.043 (11) | 0.027 (7) | 0.054 (9) | 0.011 (7) | −0.020 (9) | −0.014 (6) |
C44B | 0.035 (5) | 0.033 (4) | 0.009 (4) | 0.012 (4) | −0.001 (3) | 0.001 (3) |
C45B | 0.029 (5) | 0.018 (3) | 0.038 (5) | 0.000 (3) | −0.013 (4) | 0.006 (4) |
C46B | 0.030 (5) | 0.019 (4) | 0.028 (5) | −0.003 (3) | −0.002 (4) | 0.008 (3) |
C47B | 0.028 (5) | 0.026 (4) | 0.039 (6) | −0.005 (4) | −0.015 (5) | −0.010 (4) |
C48B | 0.041 (6) | 0.020 (4) | 0.046 (6) | 0.001 (4) | −0.010 (5) | 0.000 (4) |
C49B | 0.025 (5) | 0.027 (4) | 0.030 (5) | −0.001 (3) | −0.010 (4) | 0.000 (4) |
C50B | 0.027 (4) | 0.025 (4) | 0.018 (4) | −0.009 (3) | −0.003 (3) | 0.004 (3) |
C51B | 0.025 (5) | 0.019 (4) | 0.031 (5) | 0.004 (3) | −0.008 (4) | −0.009 (3) |
C52B | 0.033 (5) | 0.023 (4) | 0.032 (5) | 0.002 (4) | −0.013 (4) | 0.002 (4) |
Ru1A—C45A | 1.900 (9) | Ru2B—C48B | 1.885 (9) |
Ru1A—C44A | 1.911 (11) | Ru2B—C47B | 1.898 (12) |
Ru1A—C46A | 1.929 (9) | Ru2B—C49B | 1.944 (10) |
Ru1A—As1A | 2.4301 (12) | Ru2B—As2B | 2.4189 (11) |
Ru1A—Ru3A | 2.8432 (10) | Ru2B—Ru3B | 2.8256 (9) |
Ru1A—Ru2A | 2.8594 (8) | Ru3B—C51B | 1.892 (9) |
Ru2A—C47A | 1.893 (10) | Ru3B—C52B | 1.941 (11) |
Ru2A—C48A | 1.897 (9) | Ru3B—C50B | 1.956 (9) |
Ru2A—C49A | 1.938 (11) | Ru3B—P1B | 2.247 (2) |
Ru2A—As2A | 2.4423 (11) | As1B—C7B | 1.943 (9) |
Ru2A—Ru3A | 2.8513 (10) | As1B—C1B | 1.958 (7) |
Ru3A—C51A | 1.918 (9) | As1B—C13B | 1.966 (8) |
Ru3A—C50A | 1.934 (10) | As2B—C20B | 1.940 (8) |
Ru3A—C52A | 1.955 (9) | As2B—C13B | 1.956 (7) |
Ru3A—P1A | 2.263 (2) | As2B—C14B | 1.961 (8) |
As1A—C7A | 1.926 (9) | P1B—O11B | 1.558 (6) |
As1A—C1A | 1.956 (8) | P1B—O10B | 1.608 (6) |
As1A—C13A | 1.972 (7) | P1B—O12B | 1.618 (6) |
As2A—C20A | 1.945 (8) | O1B—C44B | 1.144 (12) |
As2A—C14A | 1.947 (8) | O2B—C45B | 1.156 (10) |
As2A—C13A | 1.962 (7) | O3B—C46B | 1.154 (12) |
P1A—O12A | 1.583 (7) | O4B—C47B | 1.178 (13) |
P1A—O11A | 1.597 (7) | O5B—C48B | 1.145 (11) |
P1A—O10A | 1.597 (7) | O6B—C49B | 1.155 (12) |
O1A—C44A | 1.150 (12) | O7B—C50B | 1.149 (11) |
O2A—C45A | 1.131 (11) | O8B—C51B | 1.158 (11) |
O3A—C46A | 1.127 (11) | O9B—C52B | 1.154 (12) |
O4A—C47A | 1.152 (11) | O10B—C26B | 1.391 (10) |
O5A—C48A | 1.139 (11) | O11B—C32B | 1.440 (10) |
O6A—C49A | 1.117 (12) | O12B—C38B | 1.358 (16) |
O7A—C50A | 1.129 (11) | O12B—C38C | 1.46 (2) |
O8A—C51A | 1.135 (11) | C1B—C2B | 1.358 (13) |
O9A—C52A | 1.125 (10) | C1B—C6B | 1.398 (12) |
O10A—C26A | 1.413 (10) | C2B—C3B | 1.405 (11) |
O11A—C32A | 1.404 (11) | C2B—H2BA | 0.9300 |
O12A—C38A | 1.396 (12) | C3B—C4B | 1.378 (14) |
C1A—C6A | 1.383 (12) | C3B—H3BA | 0.9300 |
C1A—C2A | 1.403 (13) | C4B—C5B | 1.372 (14) |
C2A—C3A | 1.391 (11) | C4B—H4BA | 0.9300 |
C2A—H2AA | 0.9300 | C5B—C6B | 1.389 (12) |
C3A—C4A | 1.395 (13) | C5B—H5BA | 0.9300 |
C3A—H3AA | 0.9300 | C6B—H6BA | 0.9300 |
C4A—C5A | 1.392 (14) | C7B—C12B | 1.388 (12) |
C4A—H4AA | 0.9300 | C7B—C8B | 1.397 (12) |
C5A—C6A | 1.405 (12) | C8B—C9B | 1.405 (13) |
C5A—H5AA | 0.9300 | C8B—H8BA | 0.9300 |
C6A—H6AA | 0.9300 | C9B—C10B | 1.387 (13) |
C7A—C8A | 1.397 (12) | C9B—H9BA | 0.9300 |
C7A—C12A | 1.398 (12) | C10B—C11B | 1.366 (14) |
C8A—C9A | 1.371 (13) | C10B—H10B | 0.9300 |
C8A—H8AA | 0.9300 | C11B—C12B | 1.383 (14) |
C9A—C10A | 1.371 (14) | C11B—H11B | 0.9300 |
C9A—H9AA | 0.9300 | C12B—H12B | 0.9300 |
C10A—C11A | 1.406 (15) | C13B—H13C | 0.9700 |
C10A—H10A | 0.9300 | C13B—H13D | 0.9700 |
C11A—C12A | 1.376 (14) | C14B—C19B | 1.381 (12) |
C11A—H11A | 0.9300 | C14B—C15B | 1.384 (11) |
C12A—H12A | 0.9300 | C15B—C16B | 1.385 (11) |
C13A—H13A | 0.9700 | C15B—H15B | 0.9300 |
C13A—H13B | 0.9700 | C16B—C17B | 1.357 (14) |
C14A—C15A | 1.383 (11) | C16B—H16B | 0.9300 |
C14A—C19A | 1.400 (12) | C17B—C18B | 1.399 (12) |
C15A—C16A | 1.380 (12) | C17B—H17B | 0.9300 |
C15A—H15A | 0.9300 | C19B—C18B | 1.398 (12) |
C16A—C17A | 1.392 (14) | C19B—H19B | 0.9300 |
C16A—H16A | 0.9300 | C18B—H18B | 0.9300 |
C17A—C18A | 1.386 (13) | C20B—C21B | 1.385 (11) |
C17A—H17A | 0.9300 | C20B—C25B | 1.387 (13) |
C18A—C19A | 1.381 (12) | C21B—C22B | 1.382 (12) |
C18A—H18A | 0.9300 | C21B—H21B | 0.9300 |
C19A—H19A | 0.9300 | C22B—C23B | 1.369 (15) |
C20A—C25A | 1.374 (12) | C22B—H22B | 0.9300 |
C20A—C21A | 1.402 (11) | C23B—C24B | 1.366 (14) |
C21A—C22A | 1.377 (11) | C23B—H23B | 0.9300 |
C21A—H21A | 0.9300 | C24B—C25B | 1.383 (13) |
C22A—C23A | 1.398 (14) | C24B—H24B | 0.9300 |
C22A—H22A | 0.9300 | C25B—H25B | 0.9300 |
C23A—C24A | 1.399 (13) | C26B—C27B | 1.386 (13) |
C23A—H23A | 0.9300 | C26B—C31B | 1.395 (13) |
C24A—C25A | 1.402 (12) | C27B—C28B | 1.373 (14) |
C24A—H24A | 0.9300 | C27B—H27B | 0.9300 |
C25A—H25A | 0.9300 | C28B—C29B | 1.399 (16) |
C26A—C27A | 1.349 (15) | C28B—H28B | 0.9300 |
C26A—C31A | 1.401 (14) | C29B—C30B | 1.342 (14) |
C27A—C28A | 1.385 (15) | C29B—H29B | 0.9300 |
C27A—H27A | 0.9300 | C30B—C31B | 1.376 (13) |
C28A—C29A | 1.375 (15) | C30B—H30B | 0.9300 |
C28A—H28A | 0.9300 | C31B—H31B | 0.9300 |
C29A—C30A | 1.331 (14) | C32B—C37B | 1.352 (13) |
C29A—H29A | 0.9300 | C32B—C33B | 1.372 (13) |
C30A—C31A | 1.391 (13) | C33B—C34B | 1.385 (14) |
C30A—H30A | 0.9300 | C33B—H33B | 0.9300 |
C31A—H31A | 0.9300 | C34B—C35B | 1.387 (14) |
C32A—C37A | 1.358 (14) | C34B—H34B | 0.9300 |
C32A—C33A | 1.360 (15) | C35B—C36B | 1.394 (14) |
C33A—C34A | 1.401 (16) | C35B—H35B | 0.9300 |
C33A—H33A | 0.9300 | C36B—C37B | 1.399 (14) |
C34A—C35A | 1.355 (18) | C36B—H36B | 0.9300 |
C34A—H34A | 0.9300 | C37B—H37B | 0.9300 |
C35A—C36A | 1.366 (19) | C38B—C39B | 1.375 (16) |
C35A—H35A | 0.9300 | C38B—C43B | 1.380 (17) |
C36A—C37A | 1.415 (15) | C39B—C40B | 1.362 (15) |
C36A—H36A | 0.9300 | C39B—H39B | 0.9300 |
C37A—H37A | 0.9300 | C40B—C41B | 1.369 (16) |
C38A—C43A | 1.369 (13) | C40B—H40B | 0.9300 |
C38A—C39A | 1.399 (14) | C41B—C42B | 1.423 (19) |
C39A—C40A | 1.350 (13) | C41B—H41B | 0.9300 |
C39A—H39A | 0.9300 | C42B—C43B | 1.364 (17) |
C40A—C41A | 1.407 (15) | C42B—H42B | 0.9300 |
C40A—H40A | 0.9300 | C43B—H43B | 0.9300 |
C41A—C42A | 1.374 (14) | C38C—C43C | 1.379 (19) |
C41A—H41A | 0.9300 | C38C—C39C | 1.380 (19) |
C42A—C43A | 1.413 (14) | C39C—C40C | 1.364 (18) |
C42A—H42A | 0.9300 | C39C—H39C | 0.9300 |
C43A—H43A | 0.9300 | C40C—C41C | 1.370 (19) |
Ru1B—C45B | 1.892 (8) | C40C—H40C | 0.9300 |
Ru1B—C46B | 1.933 (10) | C41C—C42C | 1.42 (2) |
Ru1B—C44B | 1.948 (10) | C41C—H41C | 0.9300 |
Ru1B—As1B | 2.4025 (11) | C42C—C43C | 1.366 (19) |
Ru1B—Ru3B | 2.8235 (10) | C42C—H42C | 0.9300 |
Ru1B—Ru2B | 2.8613 (8) | C43C—H43C | 0.9300 |
C45A—Ru1A—C44A | 88.9 (4) | C45B—Ru1B—Ru2B | 165.4 (3) |
C45A—Ru1A—C46A | 95.8 (4) | C46B—Ru1B—Ru2B | 89.3 (3) |
C44A—Ru1A—C46A | 174.4 (4) | C44B—Ru1B—Ru2B | 84.6 (3) |
C45A—Ru1A—As1A | 102.9 (3) | As1B—Ru1B—Ru2B | 93.13 (3) |
C44A—Ru1A—As1A | 96.3 (3) | Ru3B—Ru1B—Ru2B | 59.60 (2) |
C46A—Ru1A—As1A | 85.5 (3) | C48B—Ru2B—C47B | 90.3 (5) |
C45A—Ru1A—Ru3A | 104.9 (3) | C48B—Ru2B—C49B | 89.9 (4) |
C44A—Ru1A—Ru3A | 81.8 (3) | C47B—Ru2B—C49B | 175.6 (4) |
C46A—Ru1A—Ru3A | 94.1 (3) | C48B—Ru2B—As2B | 104.6 (3) |
As1A—Ru1A—Ru3A | 152.08 (3) | C47B—Ru2B—As2B | 92.7 (3) |
C45A—Ru1A—Ru2A | 164.8 (3) | C49B—Ru2B—As2B | 91.5 (3) |
C44A—Ru1A—Ru2A | 86.9 (3) | C48B—Ru2B—Ru3B | 102.3 (3) |
C46A—Ru1A—Ru2A | 87.7 (3) | C47B—Ru2B—Ru3B | 96.5 (3) |
As1A—Ru1A—Ru2A | 92.12 (3) | C49B—Ru2B—Ru3B | 79.2 (3) |
Ru3A—Ru1A—Ru2A | 60.00 (2) | As2B—Ru2B—Ru3B | 151.54 (3) |
C47A—Ru2A—C48A | 91.4 (4) | C48B—Ru2B—Ru1B | 160.6 (3) |
C47A—Ru2A—C49A | 175.2 (4) | C47B—Ru2B—Ru1B | 85.7 (3) |
C48A—Ru2A—C49A | 91.3 (5) | C49B—Ru2B—Ru1B | 92.7 (3) |
C47A—Ru2A—As2A | 91.2 (3) | As2B—Ru2B—Ru1B | 94.56 (3) |
C48A—Ru2A—As2A | 103.7 (3) | Ru3B—Ru2B—Ru1B | 59.53 (2) |
C49A—Ru2A—As2A | 92.0 (3) | C51B—Ru3B—C52B | 91.1 (4) |
C47A—Ru2A—Ru3A | 78.3 (3) | C51B—Ru3B—C50B | 91.7 (4) |
C48A—Ru2A—Ru3A | 101.1 (3) | C52B—Ru3B—C50B | 176.9 (4) |
C49A—Ru2A—Ru3A | 97.4 (3) | C51B—Ru3B—P1B | 104.5 (3) |
As2A—Ru2A—Ru3A | 153.27 (3) | C52B—Ru3B—P1B | 93.3 (3) |
C47A—Ru2A—Ru1A | 88.3 (3) | C50B—Ru3B—P1B | 87.2 (2) |
C48A—Ru2A—Ru1A | 160.4 (3) | C51B—Ru3B—Ru1B | 157.0 (3) |
C49A—Ru2A—Ru1A | 87.7 (3) | C52B—Ru3B—Ru1B | 95.7 (3) |
As2A—Ru2A—Ru1A | 95.90 (3) | C50B—Ru3B—Ru1B | 81.2 (2) |
Ru3A—Ru2A—Ru1A | 59.72 (2) | P1B—Ru3B—Ru1B | 96.98 (6) |
C51A—Ru3A—C50A | 90.9 (4) | C51B—Ru3B—Ru2B | 98.6 (3) |
C51A—Ru3A—C52A | 92.3 (4) | C52B—Ru3B—Ru2B | 82.2 (3) |
C50A—Ru3A—C52A | 176.7 (4) | C50B—Ru3B—Ru2B | 96.1 (2) |
C51A—Ru3A—P1A | 106.4 (3) | P1B—Ru3B—Ru2B | 156.56 (7) |
C50A—Ru3A—P1A | 91.0 (3) | Ru1B—Ru3B—Ru2B | 60.86 (2) |
C52A—Ru3A—P1A | 87.5 (2) | C7B—As1B—C1B | 101.5 (3) |
C51A—Ru3A—Ru1A | 154.3 (3) | C7B—As1B—C13B | 106.9 (4) |
C50A—Ru3A—Ru1A | 96.1 (3) | C1B—As1B—C13B | 98.0 (3) |
C52A—Ru3A—Ru1A | 81.1 (3) | C7B—As1B—Ru1B | 117.0 (3) |
P1A—Ru3A—Ru1A | 98.13 (7) | C1B—As1B—Ru1B | 118.5 (3) |
C51A—Ru3A—Ru2A | 96.8 (3) | C13B—As1B—Ru1B | 112.6 (3) |
C50A—Ru3A—Ru2A | 81.0 (3) | C20B—As2B—C13B | 102.7 (3) |
C52A—Ru3A—Ru2A | 99.1 (3) | C20B—As2B—C14B | 97.6 (3) |
P1A—Ru3A—Ru2A | 155.62 (7) | C13B—As2B—C14B | 104.1 (4) |
Ru1A—Ru3A—Ru2A | 60.28 (2) | C20B—As2B—Ru2B | 114.3 (3) |
C7A—As1A—C1A | 101.5 (4) | C13B—As2B—Ru2B | 115.2 (2) |
C7A—As1A—C13A | 105.6 (4) | C14B—As2B—Ru2B | 120.3 (3) |
C1A—As1A—C13A | 97.4 (3) | O11B—P1B—O10B | 97.5 (3) |
C7A—As1A—Ru1A | 117.0 (3) | O11B—P1B—O12B | 102.3 (3) |
C1A—As1A—Ru1A | 118.7 (3) | O10B—P1B—O12B | 103.9 (3) |
C13A—As1A—Ru1A | 114.0 (3) | O11B—P1B—Ru3B | 119.7 (3) |
C20A—As2A—C14A | 96.3 (3) | O10B—P1B—Ru3B | 120.5 (2) |
C20A—As2A—C13A | 103.7 (3) | O12B—P1B—Ru3B | 110.4 (2) |
C14A—As2A—C13A | 104.8 (4) | C26B—O10B—P1B | 123.8 (5) |
C20A—As2A—Ru2A | 114.5 (3) | C32B—O11B—P1B | 130.5 (5) |
C14A—As2A—Ru2A | 120.7 (3) | C38B—O12B—P1B | 130.3 (11) |
C13A—As2A—Ru2A | 114.2 (2) | C38C—O12B—P1B | 119.1 (15) |
O12A—P1A—O11A | 100.9 (3) | C2B—C1B—C6B | 120.6 (8) |
O12A—P1A—O10A | 97.9 (4) | C2B—C1B—As1B | 118.9 (6) |
O11A—P1A—O10A | 102.0 (4) | C6B—C1B—As1B | 120.3 (7) |
O12A—P1A—Ru3A | 120.3 (3) | C1B—C2B—C3B | 119.8 (9) |
O11A—P1A—Ru3A | 121.7 (2) | C1B—C2B—H2BA | 120.1 |
O10A—P1A—Ru3A | 110.3 (3) | C3B—C2B—H2BA | 120.1 |
C26A—O10A—P1A | 128.8 (7) | C4B—C3B—C2B | 119.7 (9) |
C32A—O11A—P1A | 125.3 (6) | C4B—C3B—H3BA | 120.2 |
C38A—O12A—P1A | 133.4 (6) | C2B—C3B—H3BA | 120.2 |
C6A—C1A—C2A | 120.0 (8) | C5B—C4B—C3B | 120.3 (9) |
C6A—C1A—As1A | 121.0 (7) | C5B—C4B—H4BA | 119.8 |
C2A—C1A—As1A | 119.0 (6) | C3B—C4B—H4BA | 119.8 |
C3A—C2A—C1A | 120.5 (8) | C4B—C5B—C6B | 120.4 (9) |
C3A—C2A—H2AA | 119.8 | C4B—C5B—H5BA | 119.8 |
C1A—C2A—H2AA | 119.8 | C6B—C5B—H5BA | 119.8 |
C2A—C3A—C4A | 119.8 (9) | C5B—C6B—C1B | 119.1 (9) |
C2A—C3A—H3AA | 120.1 | C5B—C6B—H6BA | 120.5 |
C4A—C3A—H3AA | 120.1 | C1B—C6B—H6BA | 120.5 |
C5A—C4A—C3A | 119.5 (8) | C12B—C7B—C8B | 117.7 (8) |
C5A—C4A—H4AA | 120.2 | C12B—C7B—As1B | 117.9 (7) |
C3A—C4A—H4AA | 120.2 | C8B—C7B—As1B | 124.4 (7) |
C4A—C5A—C6A | 120.9 (8) | C7B—C8B—C9B | 120.1 (8) |
C4A—C5A—H5AA | 119.6 | C7B—C8B—H8BA | 120.0 |
C6A—C5A—H5AA | 119.6 | C9B—C8B—H8BA | 120.0 |
C1A—C6A—C5A | 119.3 (9) | C10B—C9B—C8B | 120.4 (9) |
C1A—C6A—H6AA | 120.3 | C10B—C9B—H9BA | 119.8 |
C5A—C6A—H6AA | 120.3 | C8B—C9B—H9BA | 119.8 |
C8A—C7A—C12A | 119.9 (8) | C11B—C10B—C9B | 119.6 (10) |
C8A—C7A—As1A | 123.9 (6) | C11B—C10B—H10B | 120.2 |
C12A—C7A—As1A | 116.2 (7) | C9B—C10B—H10B | 120.2 |
C9A—C8A—C7A | 119.8 (9) | C10B—C11B—C12B | 120.2 (9) |
C9A—C8A—H8AA | 120.1 | C10B—C11B—H11B | 119.9 |
C7A—C8A—H8AA | 120.1 | C12B—C11B—H11B | 119.9 |
C8A—C9A—C10A | 120.8 (9) | C11B—C12B—C7B | 122.1 (9) |
C8A—C9A—H9AA | 119.6 | C11B—C12B—H12B | 118.9 |
C10A—C9A—H9AA | 119.6 | C7B—C12B—H12B | 118.9 |
C9A—C10A—C11A | 120.0 (9) | As2B—C13B—As1B | 112.0 (4) |
C9A—C10A—H10A | 120.0 | As2B—C13B—H13C | 109.2 |
C11A—C10A—H10A | 120.0 | As1B—C13B—H13C | 109.2 |
C12A—C11A—C10A | 119.8 (9) | As2B—C13B—H13D | 109.2 |
C12A—C11A—H11A | 120.1 | As1B—C13B—H13D | 109.2 |
C10A—C11A—H11A | 120.1 | H13C—C13B—H13D | 107.9 |
C11A—C12A—C7A | 119.7 (9) | C19B—C14B—C15B | 119.4 (8) |
C11A—C12A—H12A | 120.2 | C19B—C14B—As2B | 122.0 (6) |
C7A—C12A—H12A | 120.2 | C15B—C14B—As2B | 118.2 (7) |
As2A—C13A—As1A | 111.3 (4) | C14B—C15B—C16B | 121.2 (9) |
As2A—C13A—H13A | 109.4 | C14B—C15B—H15B | 119.4 |
As1A—C13A—H13A | 109.4 | C16B—C15B—H15B | 119.4 |
As2A—C13A—H13B | 109.4 | C17B—C16B—C15B | 120.0 (8) |
As1A—C13A—H13B | 109.4 | C17B—C16B—H16B | 120.0 |
H13A—C13A—H13B | 108.0 | C15B—C16B—H16B | 120.0 |
C15A—C14A—C19A | 119.1 (8) | C16B—C17B—C18B | 119.8 (8) |
C15A—C14A—As2A | 118.3 (6) | C16B—C17B—H17B | 120.1 |
C19A—C14A—As2A | 122.0 (6) | C18B—C17B—H17B | 120.1 |
C16A—C15A—C14A | 120.5 (8) | C14B—C19B—C18B | 119.3 (8) |
C16A—C15A—H15A | 119.8 | C14B—C19B—H19B | 120.3 |
C14A—C15A—H15A | 119.8 | C18B—C19B—H19B | 120.3 |
C15A—C16A—C17A | 120.0 (8) | C19B—C18B—C17B | 120.3 (8) |
C15A—C16A—H16A | 120.0 | C19B—C18B—H18B | 119.9 |
C17A—C16A—H16A | 120.0 | C17B—C18B—H18B | 119.9 |
C18A—C17A—C16A | 120.2 (9) | C21B—C20B—C25B | 117.8 (8) |
C18A—C17A—H17A | 119.9 | C21B—C20B—As2B | 118.0 (7) |
C16A—C17A—H17A | 119.9 | C25B—C20B—As2B | 124.0 (6) |
C19A—C18A—C17A | 119.4 (9) | C22B—C21B—C20B | 122.2 (9) |
C19A—C18A—H18A | 120.3 | C22B—C21B—H21B | 118.9 |
C17A—C18A—H18A | 120.3 | C20B—C21B—H21B | 118.9 |
C18A—C19A—C14A | 120.8 (8) | C23B—C22B—C21B | 118.6 (9) |
C18A—C19A—H19A | 119.6 | C23B—C22B—H22B | 120.7 |
C14A—C19A—H19A | 119.6 | C21B—C22B—H22B | 120.7 |
C25A—C20A—C21A | 121.1 (8) | C24B—C23B—C22B | 120.6 (9) |
C25A—C20A—As2A | 123.1 (6) | C24B—C23B—H23B | 119.7 |
C21A—C20A—As2A | 115.5 (6) | C22B—C23B—H23B | 119.7 |
C22A—C21A—C20A | 119.2 (8) | C23B—C24B—C25B | 120.7 (9) |
C22A—C21A—H21A | 120.4 | C23B—C24B—H24B | 119.7 |
C20A—C21A—H21A | 120.4 | C25B—C24B—H24B | 119.7 |
C21A—C22A—C23A | 121.0 (8) | C24B—C25B—C20B | 120.1 (8) |
C21A—C22A—H22A | 119.5 | C24B—C25B—H25B | 119.9 |
C23A—C22A—H22A | 119.5 | C20B—C25B—H25B | 119.9 |
C22A—C23A—C24A | 119.0 (8) | C27B—C26B—O10B | 117.0 (9) |
C22A—C23A—H23A | 120.5 | C27B—C26B—C31B | 120.7 (9) |
C24A—C23A—H23A | 120.5 | O10B—C26B—C31B | 122.3 (8) |
C23A—C24A—C25A | 120.2 (9) | C28B—C27B—C26B | 118.9 (10) |
C23A—C24A—H24A | 119.9 | C28B—C27B—H27B | 120.6 |
C25A—C24A—H24A | 119.9 | C26B—C27B—H27B | 120.6 |
C20A—C25A—C24A | 119.4 (8) | C27B—C28B—C29B | 119.8 (10) |
C20A—C25A—H25A | 120.3 | C27B—C28B—H28B | 120.1 |
C24A—C25A—H25A | 120.3 | C29B—C28B—H28B | 120.1 |
C27A—C26A—C31A | 121.5 (9) | C30B—C29B—C28B | 121.0 (10) |
C27A—C26A—O10A | 114.8 (9) | C30B—C29B—H29B | 119.5 |
C31A—C26A—O10A | 123.7 (9) | C28B—C29B—H29B | 119.5 |
C26A—C27A—C28A | 119.2 (10) | C29B—C30B—C31B | 120.5 (10) |
C26A—C27A—H27A | 120.4 | C29B—C30B—H30B | 119.7 |
C28A—C27A—H27A | 120.4 | C31B—C30B—H30B | 119.7 |
C29A—C28A—C27A | 120.1 (10) | C30B—C31B—C26B | 119.1 (9) |
C29A—C28A—H28A | 120.0 | C30B—C31B—H31B | 120.4 |
C27A—C28A—H28A | 120.0 | C26B—C31B—H31B | 120.4 |
C30A—C29A—C28A | 120.4 (10) | C37B—C32B—C33B | 121.2 (9) |
C30A—C29A—H29A | 119.8 | C37B—C32B—O11B | 120.4 (8) |
C28A—C29A—H29A | 119.8 | C33B—C32B—O11B | 118.3 (8) |
C29A—C30A—C31A | 121.7 (10) | C32B—C33B—C34B | 119.0 (9) |
C29A—C30A—H30A | 119.1 | C32B—C33B—H33B | 120.5 |
C31A—C30A—H30A | 119.1 | C34B—C33B—H33B | 120.5 |
C30A—C31A—C26A | 117.1 (10) | C33B—C34B—C35B | 120.8 (9) |
C30A—C31A—H31A | 121.4 | C33B—C34B—H34B | 119.6 |
C26A—C31A—H31A | 121.4 | C35B—C34B—H34B | 119.6 |
C37A—C32A—C33A | 122.2 (10) | C34B—C35B—C36B | 119.6 (9) |
C37A—C32A—O11A | 120.1 (10) | C34B—C35B—H35B | 120.2 |
C33A—C32A—O11A | 117.7 (9) | C36B—C35B—H35B | 120.2 |
C32A—C33A—C34A | 118.8 (11) | C35B—C36B—C37B | 118.4 (9) |
C32A—C33A—H33A | 120.6 | C35B—C36B—H36B | 120.8 |
C34A—C33A—H33A | 120.6 | C37B—C36B—H36B | 120.8 |
C35A—C34A—C33A | 120.6 (12) | C32B—C37B—C36B | 121.0 (9) |
C35A—C34A—H34A | 119.7 | C32B—C37B—H37B | 119.5 |
C33A—C34A—H34A | 119.7 | C36B—C37B—H37B | 119.5 |
C34A—C35A—C36A | 119.8 (11) | O12B—C38B—C39B | 121.9 (13) |
C34A—C35A—H35A | 120.1 | O12B—C38B—C43B | 117.7 (14) |
C36A—C35A—H35A | 120.1 | C39B—C38B—C43B | 120.5 (12) |
C35A—C36A—C37A | 120.6 (11) | C40B—C39B—C38B | 119.2 (12) |
C35A—C36A—H36A | 119.7 | C40B—C39B—H39B | 120.4 |
C37A—C36A—H36A | 119.7 | C38B—C39B—H39B | 120.4 |
C32A—C37A—C36A | 117.9 (11) | C39B—C40B—C41B | 121.7 (14) |
C32A—C37A—H37A | 121.0 | C39B—C40B—H40B | 119.1 |
C36A—C37A—H37A | 121.0 | C41B—C40B—H40B | 119.1 |
C43A—C38A—O12A | 115.3 (9) | C40B—C41B—C42B | 118.1 (13) |
C43A—C38A—C39A | 120.7 (9) | C40B—C41B—H41B | 120.9 |
O12A—C38A—C39A | 123.7 (8) | C42B—C41B—H41B | 120.9 |
C40A—C39A—C38A | 120.8 (9) | C43B—C42B—C41B | 118.5 (14) |
C40A—C39A—H39A | 119.6 | C43B—C42B—H42B | 120.7 |
C38A—C39A—H39A | 119.6 | C41B—C42B—H42B | 120.7 |
C39A—C40A—C41A | 118.8 (10) | C42B—C43B—C38B | 120.0 (14) |
C39A—C40A—H40A | 120.6 | C42B—C43B—H43B | 120.0 |
C41A—C40A—H40A | 120.6 | C38B—C43B—H43B | 120.0 |
C42A—C41A—C40A | 121.6 (10) | C43C—C38C—C39C | 119.4 (18) |
C42A—C41A—H41A | 119.2 | C43C—C38C—O12B | 122.1 (18) |
C40A—C41A—H41A | 119.2 | C39C—C38C—O12B | 118.5 (17) |
C41A—C42A—C43A | 118.6 (9) | C40C—C39C—C38C | 118.5 (18) |
C41A—C42A—H42A | 120.7 | C40C—C39C—H39C | 120.8 |
C43A—C42A—H42A | 120.7 | C38C—C39C—H39C | 120.8 |
C38A—C43A—C42A | 119.3 (10) | C39C—C40C—C41C | 121 (2) |
C38A—C43A—H43A | 120.3 | C39C—C40C—H40C | 119.5 |
C42A—C43A—H43A | 120.3 | C41C—C40C—H40C | 119.5 |
O1A—C44A—Ru1A | 173.7 (8) | C40C—C41C—C42C | 117.0 (18) |
O2A—C45A—Ru1A | 176.5 (10) | C40C—C41C—H41C | 121.5 |
O3A—C46A—Ru1A | 172.6 (8) | C42C—C41C—H41C | 121.5 |
O4A—C47A—Ru2A | 172.7 (9) | C43C—C42C—C41C | 120.1 (17) |
O5A—C48A—Ru2A | 177.1 (10) | C43C—C42C—H42C | 120.0 |
O6A—C49A—Ru2A | 171.9 (9) | C41C—C42C—H42C | 120.0 |
O7A—C50A—Ru3A | 172.7 (8) | C42C—C43C—C38C | 120.0 (18) |
O8A—C51A—Ru3A | 176.1 (8) | C42C—C43C—H43C | 120.0 |
O9A—C52A—Ru3A | 173.0 (8) | C38C—C43C—H43C | 120.0 |
C45B—Ru1B—C46B | 88.0 (4) | O1B—C44B—Ru1B | 174.0 (8) |
C45B—Ru1B—C44B | 97.7 (4) | O2B—C45B—Ru1B | 176.7 (10) |
C46B—Ru1B—C44B | 173.8 (4) | O3B—C46B—Ru1B | 174.8 (8) |
C45B—Ru1B—As1B | 101.4 (3) | O4B—C47B—Ru2B | 173.4 (8) |
C46B—Ru1B—As1B | 95.1 (3) | O5B—C48B—Ru2B | 177.0 (10) |
C44B—Ru1B—As1B | 86.2 (3) | O6B—C49B—Ru2B | 173.3 (8) |
C45B—Ru1B—Ru3B | 105.8 (3) | O7B—C50B—Ru3B | 173.7 (7) |
C46B—Ru1B—Ru3B | 82.5 (3) | O8B—C51B—Ru3B | 176.1 (8) |
C44B—Ru1B—Ru3B | 93.6 (2) | O9B—C52B—Ru3B | 173.0 (9) |
As1B—Ru1B—Ru3B | 152.57 (3) | ||
C45A—Ru1A—Ru2A—C47A | 85.1 (12) | Ru3B—Ru1B—Ru2B—C47B | 100.1 (3) |
C44A—Ru1A—Ru2A—C47A | 159.7 (4) | C45B—Ru1B—Ru2B—C49B | −78.3 (13) |
C46A—Ru1A—Ru2A—C47A | −18.7 (4) | C46B—Ru1B—Ru2B—C49B | −157.5 (4) |
As1A—Ru1A—Ru2A—C47A | −104.1 (3) | C44B—Ru1B—Ru2B—C49B | 21.6 (4) |
Ru3A—Ru1A—Ru2A—C47A | 77.4 (3) | As1B—Ru1B—Ru2B—C49B | 107.5 (3) |
C45A—Ru1A—Ru2A—C48A | −4.5 (16) | Ru3B—Ru1B—Ru2B—C49B | −75.8 (3) |
C44A—Ru1A—Ru2A—C48A | 70.0 (11) | C45B—Ru1B—Ru2B—As2B | −170.1 (13) |
C46A—Ru1A—Ru2A—C48A | −108.3 (11) | C46B—Ru1B—Ru2B—As2B | 110.8 (3) |
As1A—Ru1A—Ru2A—C48A | 166.2 (11) | C44B—Ru1B—Ru2B—As2B | −70.1 (3) |
Ru3A—Ru1A—Ru2A—C48A | −12.2 (11) | As1B—Ru1B—Ru2B—As2B | 15.70 (4) |
C45A—Ru1A—Ru2A—C49A | −92.2 (12) | Ru3B—Ru1B—Ru2B—As2B | −167.52 (4) |
C44A—Ru1A—Ru2A—C49A | −17.6 (4) | C45B—Ru1B—Ru2B—Ru3B | −2.5 (13) |
C46A—Ru1A—Ru2A—C49A | 164.0 (4) | C46B—Ru1B—Ru2B—Ru3B | −81.7 (3) |
As1A—Ru1A—Ru2A—C49A | 78.6 (3) | C44B—Ru1B—Ru2B—Ru3B | 97.4 (3) |
Ru3A—Ru1A—Ru2A—C49A | −99.9 (3) | As1B—Ru1B—Ru2B—Ru3B | −176.78 (4) |
C45A—Ru1A—Ru2A—As2A | 176.1 (12) | C45B—Ru1B—Ru3B—C51B | −151.8 (8) |
C44A—Ru1A—Ru2A—As2A | −109.3 (3) | C46B—Ru1B—Ru3B—C51B | 122.5 (8) |
C46A—Ru1A—Ru2A—As2A | 72.3 (3) | C44B—Ru1B—Ru3B—C51B | −52.7 (7) |
As1A—Ru1A—Ru2A—As2A | −13.14 (4) | As1B—Ru1B—Ru3B—C51B | 35.9 (7) |
Ru3A—Ru1A—Ru2A—As2A | 168.37 (4) | Ru2B—Ru1B—Ru3B—C51B | 28.9 (7) |
C45A—Ru1A—Ru2A—Ru3A | 7.7 (12) | C45B—Ru1B—Ru3B—C52B | 101.6 (4) |
C44A—Ru1A—Ru2A—Ru3A | 82.3 (3) | C46B—Ru1B—Ru3B—C52B | 15.8 (4) |
C46A—Ru1A—Ru2A—Ru3A | −96.1 (3) | C44B—Ru1B—Ru3B—C52B | −159.3 (4) |
As1A—Ru1A—Ru2A—Ru3A | 178.49 (4) | As1B—Ru1B—Ru3B—C52B | −70.8 (3) |
C45A—Ru1A—Ru3A—C51A | 153.0 (7) | Ru2B—Ru1B—Ru3B—C52B | −77.8 (3) |
C44A—Ru1A—Ru3A—C51A | −120.3 (7) | C45B—Ru1B—Ru3B—C50B | −78.5 (4) |
C46A—Ru1A—Ru3A—C51A | 55.8 (7) | C46B—Ru1B—Ru3B—C50B | −164.3 (4) |
As1A—Ru1A—Ru3A—C51A | −32.4 (6) | C44B—Ru1B—Ru3B—C50B | 20.5 (3) |
Ru2A—Ru1A—Ru3A—C51A | −29.1 (6) | As1B—Ru1B—Ru3B—C50B | 109.1 (2) |
C45A—Ru1A—Ru3A—C50A | −101.9 (4) | Ru2B—Ru1B—Ru3B—C50B | 102.1 (2) |
C44A—Ru1A—Ru3A—C50A | −15.2 (4) | C45B—Ru1B—Ru3B—P1B | 7.5 (3) |
C46A—Ru1A—Ru3A—C50A | 161.0 (4) | C46B—Ru1B—Ru3B—P1B | −78.3 (3) |
As1A—Ru1A—Ru3A—C50A | 72.8 (3) | C44B—Ru1B—Ru3B—P1B | 106.6 (3) |
Ru2A—Ru1A—Ru3A—C50A | 76.0 (3) | As1B—Ru1B—Ru3B—P1B | −164.88 (10) |
C45A—Ru1A—Ru3A—C52A | 76.2 (4) | Ru2B—Ru1B—Ru3B—P1B | −171.88 (7) |
C44A—Ru1A—Ru3A—C52A | 162.9 (4) | C45B—Ru1B—Ru3B—Ru2B | 179.3 (3) |
C46A—Ru1A—Ru3A—C52A | −20.9 (4) | C46B—Ru1B—Ru3B—Ru2B | 93.6 (3) |
As1A—Ru1A—Ru3A—C52A | −109.1 (2) | C44B—Ru1B—Ru3B—Ru2B | −81.6 (3) |
Ru2A—Ru1A—Ru3A—C52A | −105.9 (2) | As1B—Ru1B—Ru3B—Ru2B | 7.00 (8) |
C45A—Ru1A—Ru3A—P1A | −10.0 (3) | C48B—Ru2B—Ru3B—C51B | 18.2 (5) |
C44A—Ru1A—Ru3A—P1A | 76.7 (3) | C47B—Ru2B—Ru3B—C51B | 109.9 (4) |
C46A—Ru1A—Ru3A—P1A | −107.1 (3) | C49B—Ru2B—Ru3B—C51B | −69.3 (4) |
As1A—Ru1A—Ru3A—P1A | 164.70 (10) | As2B—Ru2B—Ru3B—C51B | −142.1 (3) |
Ru2A—Ru1A—Ru3A—P1A | 167.93 (7) | Ru1B—Ru2B—Ru3B—C51B | −169.0 (3) |
C45A—Ru1A—Ru3A—Ru2A | −177.9 (3) | C48B—Ru2B—Ru3B—C52B | −71.8 (5) |
C44A—Ru1A—Ru3A—Ru2A | −91.2 (3) | C47B—Ru2B—Ru3B—C52B | 19.9 (4) |
C46A—Ru1A—Ru3A—Ru2A | 85.0 (3) | C49B—Ru2B—Ru3B—C52B | −159.2 (4) |
As1A—Ru1A—Ru3A—Ru2A | −3.23 (8) | As2B—Ru2B—Ru3B—C52B | 127.9 (3) |
C47A—Ru2A—Ru3A—C51A | 72.7 (4) | Ru1B—Ru2B—Ru3B—C52B | 101.0 (3) |
C48A—Ru2A—Ru3A—C51A | −16.4 (5) | C48B—Ru2B—Ru3B—C50B | 110.9 (4) |
C49A—Ru2A—Ru3A—C51A | −109.2 (4) | C47B—Ru2B—Ru3B—C50B | −157.4 (4) |
As2A—Ru2A—Ru3A—C51A | 141.3 (3) | C49B—Ru2B—Ru3B—C50B | 23.4 (4) |
Ru1A—Ru2A—Ru3A—C51A | 167.7 (3) | As2B—Ru2B—Ru3B—C50B | −49.5 (2) |
C47A—Ru2A—Ru3A—C50A | 162.6 (4) | Ru1B—Ru2B—Ru3B—C50B | −76.3 (2) |
C48A—Ru2A—Ru3A—C50A | 73.5 (5) | C48B—Ru2B—Ru3B—P1B | −152.1 (4) |
C49A—Ru2A—Ru3A—C50A | −19.4 (4) | C47B—Ru2B—Ru3B—P1B | −60.5 (3) |
As2A—Ru2A—Ru3A—C50A | −128.9 (3) | C49B—Ru2B—Ru3B—P1B | 120.4 (3) |
Ru1A—Ru2A—Ru3A—C50A | −102.4 (3) | As2B—Ru2B—Ru3B—P1B | 47.5 (2) |
C47A—Ru2A—Ru3A—C52A | −20.7 (4) | Ru1B—Ru2B—Ru3B—P1B | 20.64 (17) |
C48A—Ru2A—Ru3A—C52A | −109.9 (4) | C48B—Ru2B—Ru3B—Ru1B | −172.8 (4) |
C49A—Ru2A—Ru3A—C52A | 157.3 (4) | C47B—Ru2B—Ru3B—Ru1B | −81.1 (3) |
As2A—Ru2A—Ru3A—C52A | 47.8 (3) | C49B—Ru2B—Ru3B—Ru1B | 99.7 (3) |
Ru1A—Ru2A—Ru3A—C52A | 74.2 (2) | As2B—Ru2B—Ru3B—Ru1B | 26.88 (8) |
C47A—Ru2A—Ru3A—P1A | −125.1 (3) | C45B—Ru1B—As1B—C7B | −86.5 (4) |
C48A—Ru2A—Ru3A—P1A | 145.7 (4) | C46B—Ru1B—As1B—C7B | 2.4 (4) |
C49A—Ru2A—Ru3A—P1A | 52.9 (3) | C44B—Ru1B—As1B—C7B | 176.3 (4) |
As2A—Ru2A—Ru3A—P1A | −56.58 (19) | Ru3B—Ru1B—As1B—C7B | 86.0 (3) |
Ru1A—Ru2A—Ru3A—P1A | −30.11 (16) | Ru2B—Ru1B—As1B—C7B | 92.0 (3) |
C47A—Ru2A—Ru3A—Ru1A | −95.0 (3) | C45B—Ru1B—As1B—C1B | 35.6 (4) |
C48A—Ru2A—Ru3A—Ru1A | 175.9 (4) | C46B—Ru1B—As1B—C1B | 124.6 (4) |
C49A—Ru2A—Ru3A—Ru1A | 83.0 (3) | C44B—Ru1B—As1B—C1B | −61.5 (4) |
As2A—Ru2A—Ru3A—Ru1A | −26.47 (8) | Ru3B—Ru1B—As1B—C1B | −151.9 (3) |
C45A—Ru1A—As1A—C7A | 84.8 (4) | Ru2B—Ru1B—As1B—C1B | −145.9 (3) |
C44A—Ru1A—As1A—C7A | −5.5 (4) | C45B—Ru1B—As1B—C13B | 149.0 (4) |
C46A—Ru1A—As1A—C7A | 179.8 (4) | C46B—Ru1B—As1B—C13B | −122.0 (4) |
Ru3A—Ru1A—As1A—C7A | −89.9 (3) | C44B—Ru1B—As1B—C13B | 51.9 (4) |
Ru2A—Ru1A—As1A—C7A | −92.7 (3) | Ru3B—Ru1B—As1B—C13B | −38.5 (3) |
C45A—Ru1A—As1A—C1A | −37.4 (4) | Ru2B—Ru1B—As1B—C13B | −32.5 (3) |
C44A—Ru1A—As1A—C1A | −127.8 (4) | C48B—Ru2B—As2B—C20B | −62.6 (4) |
C46A—Ru1A—As1A—C1A | 57.5 (4) | C47B—Ru2B—As2B—C20B | −153.6 (4) |
Ru3A—Ru1A—As1A—C1A | 147.9 (3) | C49B—Ru2B—As2B—C20B | 27.7 (4) |
Ru2A—Ru1A—As1A—C1A | 145.1 (3) | Ru3B—Ru2B—As2B—C20B | 97.5 (3) |
C45A—Ru1A—As1A—C13A | −151.3 (4) | Ru1B—Ru2B—As2B—C20B | 120.5 (2) |
C44A—Ru1A—As1A—C13A | 118.3 (4) | C48B—Ru2B—As2B—C13B | 178.8 (5) |
C46A—Ru1A—As1A—C13A | −56.4 (4) | C47B—Ru2B—As2B—C13B | 87.8 (4) |
Ru3A—Ru1A—As1A—C13A | 34.0 (3) | C49B—Ru2B—As2B—C13B | −90.9 (4) |
Ru2A—Ru1A—As1A—C13A | 31.2 (3) | Ru3B—Ru2B—As2B—C13B | −21.0 (3) |
C47A—Ru2A—As2A—C20A | −36.1 (4) | Ru1B—Ru2B—As2B—C13B | 2.0 (3) |
C48A—Ru2A—As2A—C20A | 55.7 (5) | C48B—Ru2B—As2B—C14B | 53.0 (5) |
C49A—Ru2A—As2A—C20A | 147.5 (4) | C47B—Ru2B—As2B—C14B | −38.0 (4) |
Ru3A—Ru2A—As2A—C20A | −101.8 (3) | C49B—Ru2B—As2B—C14B | 143.2 (4) |
Ru1A—Ru2A—As2A—C20A | −124.5 (3) | Ru3B—Ru2B—As2B—C14B | −146.9 (3) |
C47A—Ru2A—As2A—C14A | −150.3 (4) | Ru1B—Ru2B—As2B—C14B | −123.9 (3) |
C48A—Ru2A—As2A—C14A | −58.5 (5) | C51B—Ru3B—P1B—O11B | −146.9 (4) |
C49A—Ru2A—As2A—C14A | 33.3 (4) | C52B—Ru3B—P1B—O11B | −54.9 (4) |
Ru3A—Ru2A—As2A—C14A | 144.0 (3) | C50B—Ru3B—P1B—O11B | 122.1 (4) |
Ru1A—Ru2A—As2A—C14A | 121.3 (3) | Ru1B—Ru3B—P1B—O11B | 41.3 (3) |
C47A—Ru2A—As2A—C13A | 83.3 (4) | Ru2B—Ru3B—P1B—O11B | 23.2 (4) |
C48A—Ru2A—As2A—C13A | 175.1 (5) | C51B—Ru3B—P1B—O10B | −26.3 (4) |
C49A—Ru2A—As2A—C13A | −93.1 (4) | C52B—Ru3B—P1B—O10B | 65.7 (4) |
Ru3A—Ru2A—As2A—C13A | 17.6 (3) | C50B—Ru3B—P1B—O10B | −117.3 (4) |
Ru1A—Ru2A—As2A—C13A | −5.2 (3) | Ru1B—Ru3B—P1B—O10B | 161.9 (3) |
C51A—Ru3A—P1A—O12A | −124.1 (4) | Ru2B—Ru3B—P1B—O10B | 143.8 (3) |
C50A—Ru3A—P1A—O12A | 144.6 (4) | C51B—Ru3B—P1B—O12B | 94.8 (4) |
C52A—Ru3A—P1A—O12A | −32.4 (4) | C52B—Ru3B—P1B—O12B | −173.1 (4) |
Ru1A—Ru3A—P1A—O12A | 48.2 (3) | C50B—Ru3B—P1B—O12B | 3.8 (4) |
Ru2A—Ru3A—P1A—O12A | 74.3 (4) | Ru1B—Ru3B—P1B—O12B | −76.9 (3) |
C51A—Ru3A—P1A—O11A | 4.0 (4) | Ru2B—Ru3B—P1B—O12B | −95.0 (3) |
C50A—Ru3A—P1A—O11A | −87.3 (4) | O11B—P1B—O10B—C26B | 163.7 (7) |
C52A—Ru3A—P1A—O11A | 95.7 (4) | O12B—P1B—O10B—C26B | −91.6 (7) |
Ru1A—Ru3A—P1A—O11A | 176.3 (3) | Ru3B—P1B—O10B—C26B | 32.6 (8) |
Ru2A—Ru3A—P1A—O11A | −157.5 (3) | O10B—P1B—O11B—C32B | −8.4 (8) |
C51A—Ru3A—P1A—O10A | 123.2 (4) | O12B—P1B—O11B—C32B | −114.5 (7) |
C50A—Ru3A—P1A—O10A | 31.9 (4) | Ru3B—P1B—O11B—C32B | 123.2 (7) |
C52A—Ru3A—P1A—O10A | −145.1 (4) | O11B—P1B—O12B—C38B | 43.5 (12) |
Ru1A—Ru3A—P1A—O10A | −64.4 (3) | O10B—P1B—O12B—C38B | −57.5 (12) |
Ru2A—Ru3A—P1A—O10A | −38.3 (4) | Ru3B—P1B—O12B—C38B | 172.0 (11) |
O12A—P1A—O10A—C26A | 63.0 (9) | O11B—P1B—O12B—C38C | 39.3 (12) |
O11A—P1A—O10A—C26A | −39.9 (9) | O10B—P1B—O12B—C38C | −61.8 (12) |
Ru3A—P1A—O10A—C26A | −170.5 (7) | Ru3B—P1B—O12B—C38C | 167.7 (11) |
O12A—P1A—O11A—C32A | 147.5 (8) | C7B—As1B—C1B—C2B | −50.7 (8) |
O10A—P1A—O11A—C32A | −111.9 (8) | C13B—As1B—C1B—C2B | 58.4 (8) |
Ru3A—P1A—O11A—C32A | 11.3 (9) | Ru1B—As1B—C1B—C2B | 179.7 (6) |
O11A—P1A—O12A—C38A | −36.0 (9) | C7B—As1B—C1B—C6B | 134.4 (7) |
O10A—P1A—O12A—C38A | −140.0 (8) | C13B—As1B—C1B—C6B | −116.5 (7) |
Ru3A—P1A—O12A—C38A | 101.0 (8) | Ru1B—As1B—C1B—C6B | 4.7 (8) |
C7A—As1A—C1A—C6A | −131.5 (7) | C6B—C1B—C2B—C3B | −1.3 (13) |
C13A—As1A—C1A—C6A | 120.8 (7) | As1B—C1B—C2B—C3B | −176.2 (7) |
Ru1A—As1A—C1A—C6A | −1.8 (8) | C1B—C2B—C3B—C4B | 0.6 (14) |
C7A—As1A—C1A—C2A | 49.3 (7) | C2B—C3B—C4B—C5B | −0.9 (15) |
C13A—As1A—C1A—C2A | −58.3 (7) | C3B—C4B—C5B—C6B | 1.8 (15) |
Ru1A—As1A—C1A—C2A | 179.1 (6) | C4B—C5B—C6B—C1B | −2.4 (14) |
C6A—C1A—C2A—C3A | −1.4 (13) | C2B—C1B—C6B—C5B | 2.2 (13) |
As1A—C1A—C2A—C3A | 177.8 (6) | As1B—C1B—C6B—C5B | 177.0 (7) |
C1A—C2A—C3A—C4A | 1.5 (13) | C1B—As1B—C7B—C12B | −79.3 (7) |
C2A—C3A—C4A—C5A | −1.7 (13) | C13B—As1B—C7B—C12B | 178.6 (6) |
C3A—C4A—C5A—C6A | 1.8 (13) | Ru1B—As1B—C7B—C12B | 51.3 (7) |
C2A—C1A—C6A—C5A | 1.5 (13) | C1B—As1B—C7B—C8B | 102.7 (8) |
As1A—C1A—C6A—C5A | −177.7 (6) | C13B—As1B—C7B—C8B | 0.6 (8) |
C4A—C5A—C6A—C1A | −1.7 (13) | Ru1B—As1B—C7B—C8B | −126.8 (7) |
C1A—As1A—C7A—C8A | −99.9 (8) | C12B—C7B—C8B—C9B | 0.5 (13) |
C13A—As1A—C7A—C8A | 1.2 (8) | As1B—C7B—C8B—C9B | 178.5 (7) |
Ru1A—As1A—C7A—C8A | 129.3 (7) | C7B—C8B—C9B—C10B | −0.8 (14) |
C1A—As1A—C7A—C12A | 81.3 (7) | C8B—C9B—C10B—C11B | 1.2 (14) |
C13A—As1A—C7A—C12A | −177.5 (7) | C9B—C10B—C11B—C12B | −1.3 (14) |
Ru1A—As1A—C7A—C12A | −49.5 (7) | C10B—C11B—C12B—C7B | 1.0 (14) |
C12A—C7A—C8A—C9A | 1.4 (14) | C8B—C7B—C12B—C11B | −0.6 (13) |
As1A—C7A—C8A—C9A | −177.3 (7) | As1B—C7B—C12B—C11B | −178.8 (7) |
C7A—C8A—C9A—C10A | −1.1 (15) | C20B—As2B—C13B—As1B | −149.4 (4) |
C8A—C9A—C10A—C11A | 0.3 (15) | C14B—As2B—C13B—As1B | 109.3 (5) |
C9A—C10A—C11A—C12A | 0.1 (15) | Ru2B—As2B—C13B—As1B | −24.6 (5) |
C10A—C11A—C12A—C7A | 0.2 (15) | C7B—As1B—C13B—As2B | −90.3 (5) |
C8A—C7A—C12A—C11A | −0.9 (14) | C1B—As1B—C13B—As2B | 165.0 (5) |
As1A—C7A—C12A—C11A | 177.8 (7) | Ru1B—As1B—C13B—As2B | 39.5 (5) |
C20A—As2A—C13A—As1A | 152.3 (4) | C20B—As2B—C14B—C19B | −75.1 (7) |
C14A—As2A—C13A—As1A | −107.3 (4) | C13B—As2B—C14B—C19B | 30.1 (8) |
Ru2A—As2A—C13A—As1A | 27.0 (5) | Ru2B—As2B—C14B—C19B | 160.9 (6) |
C7A—As1A—C13A—As2A | 89.5 (5) | C20B—As2B—C14B—C15B | 97.3 (7) |
C1A—As1A—C13A—As2A | −166.3 (4) | C13B—As2B—C14B—C15B | −157.5 (7) |
Ru1A—As1A—C13A—As2A | −40.3 (5) | Ru2B—As2B—C14B—C15B | −26.6 (8) |
C20A—As2A—C14A—C15A | −94.7 (7) | C19B—C14B—C15B—C16B | 1.6 (14) |
C13A—As2A—C14A—C15A | 159.2 (6) | As2B—C14B—C15B—C16B | −171.1 (7) |
Ru2A—As2A—C14A—C15A | 28.6 (7) | C14B—C15B—C16B—C17B | −3.0 (15) |
C20A—As2A—C14A—C19A | 76.5 (7) | C15B—C16B—C17B—C18B | 2.1 (14) |
C13A—As2A—C14A—C19A | −29.6 (7) | C15B—C14B—C19B—C18B | 0.7 (13) |
Ru2A—As2A—C14A—C19A | −160.2 (6) | As2B—C14B—C19B—C18B | 173.1 (6) |
C19A—C14A—C15A—C16A | 1.2 (13) | C14B—C19B—C18B—C17B | −1.6 (13) |
As2A—C14A—C15A—C16A | 172.7 (7) | C16B—C17B—C18B—C19B | 0.1 (14) |
C14A—C15A—C16A—C17A | −1.0 (14) | C13B—As2B—C20B—C21B | 164.8 (7) |
C15A—C16A—C17A—C18A | 0.4 (14) | C14B—As2B—C20B—C21B | −88.9 (7) |
C16A—C17A—C18A—C19A | −0.1 (14) | Ru2B—As2B—C20B—C21B | 39.4 (7) |
C17A—C18A—C19A—C14A | 0.3 (13) | C13B—As2B—C20B—C25B | −21.0 (8) |
C15A—C14A—C19A—C18A | −0.9 (13) | C14B—As2B—C20B—C25B | 85.4 (8) |
As2A—C14A—C19A—C18A | −172.0 (7) | Ru2B—As2B—C20B—C25B | −146.4 (7) |
C14A—As2A—C20A—C25A | −88.8 (7) | C25B—C20B—C21B—C22B | 0.2 (13) |
C13A—As2A—C20A—C25A | 18.2 (8) | As2B—C20B—C21B—C22B | 174.8 (7) |
Ru2A—As2A—C20A—C25A | 143.3 (6) | C20B—C21B—C22B—C23B | −0.9 (14) |
C14A—As2A—C20A—C21A | 85.1 (7) | C21B—C22B—C23B—C24B | 0.9 (14) |
C13A—As2A—C20A—C21A | −168.0 (6) | C22B—C23B—C24B—C25B | −0.3 (14) |
Ru2A—As2A—C20A—C21A | −42.8 (7) | C23B—C24B—C25B—C20B | −0.4 (14) |
C25A—C20A—C21A—C22A | −0.2 (13) | C21B—C20B—C25B—C24B | 0.4 (13) |
As2A—C20A—C21A—C22A | −174.1 (7) | As2B—C20B—C25B—C24B | −173.9 (7) |
C20A—C21A—C22A—C23A | −0.4 (13) | P1B—O10B—C26B—C27B | −113.5 (9) |
C21A—C22A—C23A—C24A | 0.8 (14) | P1B—O10B—C26B—C31B | 69.0 (10) |
C22A—C23A—C24A—C25A | −0.6 (14) | O10B—C26B—C27B—C28B | −176.5 (9) |
C21A—C20A—C25A—C24A | 0.3 (13) | C31B—C26B—C27B—C28B | 1.1 (15) |
As2A—C20A—C25A—C24A | 173.8 (7) | C26B—C27B—C28B—C29B | −0.3 (17) |
C23A—C24A—C25A—C20A | 0.1 (14) | C27B—C28B—C29B—C30B | −0.4 (17) |
P1A—O10A—C26A—C27A | 152.0 (8) | C28B—C29B—C30B—C31B | 0.2 (16) |
P1A—O10A—C26A—C31A | −29.4 (14) | C29B—C30B—C31B—C26B | 0.7 (14) |
C31A—C26A—C27A—C28A | −0.6 (17) | C27B—C26B—C31B—C30B | −1.3 (14) |
O10A—C26A—C27A—C28A | 178.0 (10) | O10B—C26B—C31B—C30B | 176.1 (8) |
C26A—C27A—C28A—C29A | −0.4 (17) | P1B—O11B—C32B—C37B | −106.0 (10) |
C27A—C28A—C29A—C30A | 1.5 (16) | P1B—O11B—C32B—C33B | 76.9 (9) |
C28A—C29A—C30A—C31A | −1.7 (16) | C37B—C32B—C33B—C34B | −0.2 (13) |
C29A—C30A—C31A—C26A | 0.7 (15) | O11B—C32B—C33B—C34B | 176.9 (7) |
C27A—C26A—C31A—C30A | 0.4 (16) | C32B—C33B—C34B—C35B | −0.9 (13) |
O10A—C26A—C31A—C30A | −178.0 (9) | C33B—C34B—C35B—C36B | 0.8 (14) |
P1A—O11A—C32A—C37A | 79.0 (11) | C34B—C35B—C36B—C37B | 0.4 (15) |
P1A—O11A—C32A—C33A | −101.5 (10) | C33B—C32B—C37B—C36B | 1.4 (15) |
C37A—C32A—C33A—C34A | 1.8 (16) | O11B—C32B—C37B—C36B | −175.7 (9) |
O11A—C32A—C33A—C34A | −177.7 (9) | C35B—C36B—C37B—C32B | −1.5 (16) |
C32A—C33A—C34A—C35A | −1.9 (17) | C38C—O12B—C38B—C39B | 99 (8) |
C33A—C34A—C35A—C36A | 2.0 (19) | P1B—O12B—C38B—C39B | 80 (2) |
C34A—C35A—C36A—C37A | −2 (2) | C38C—O12B—C38B—C43B | −82 (7) |
C33A—C32A—C37A—C36A | −1.7 (17) | P1B—O12B—C38B—C43B | −100 (2) |
O11A—C32A—C37A—C36A | 177.8 (10) | O12B—C38B—C39B—C40B | −177 (2) |
C35A—C36A—C37A—C32A | 1.8 (19) | C43B—C38B—C39B—C40B | 3 (3) |
P1A—O12A—C38A—C43A | −134.9 (9) | C38B—C39B—C40B—C41B | −3 (4) |
P1A—O12A—C38A—C39A | 50.9 (13) | C39B—C40B—C41B—C42B | −7 (4) |
C43A—C38A—C39A—C40A | −1.3 (15) | C40B—C41B—C42B—C43B | 16 (4) |
O12A—C38A—C39A—C40A | 172.6 (9) | C41B—C42B—C43B—C38B | −15 (4) |
C38A—C39A—C40A—C41A | 3.8 (15) | O12B—C38B—C43B—C42B | −174 (2) |
C39A—C40A—C41A—C42A | −2.1 (16) | C39B—C38B—C43B—C42B | 6 (4) |
C40A—C41A—C42A—C43A | −2.0 (16) | C38B—O12B—C38C—C43C | 103 (8) |
O12A—C38A—C43A—C42A | −177.3 (9) | P1B—O12B—C38C—C43C | −93 (3) |
C39A—C38A—C43A—C42A | −2.9 (15) | C38B—O12B—C38C—C39C | −79 (7) |
C41A—C42A—C43A—C38A | 4.5 (15) | P1B—O12B—C38C—C39C | 85 (3) |
C45B—Ru1B—Ru2B—C48B | 19.1 (17) | C43C—C38C—C39C—C40C | −19 (5) |
C46B—Ru1B—Ru2B—C48B | −60.0 (11) | O12B—C38C—C39C—C40C | 163 (3) |
C44B—Ru1B—Ru2B—C48B | 119.1 (11) | C38C—C39C—C40C—C41C | 23 (6) |
As1B—Ru1B—Ru2B—C48B | −155.1 (11) | C39C—C40C—C41C—C42C | −19 (6) |
Ru3B—Ru1B—Ru2B—C48B | 21.7 (11) | C40C—C41C—C42C—C43C | 10 (4) |
C45B—Ru1B—Ru2B—C47B | 97.6 (13) | C41C—C42C—C43C—C38C | −6 (4) |
C46B—Ru1B—Ru2B—C47B | 18.4 (4) | C39C—C38C—C43C—C42C | 10 (5) |
C44B—Ru1B—Ru2B—C47B | −162.5 (4) | O12B—C38C—C43C—C42C | −172 (3) |
As1B—Ru1B—Ru2B—C47B | −76.7 (3) |
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···A | D—H | H···A | D···A | D—H···A |
C31A—H31A···O12A | 0.93 | 2.42 | 3.014 (13) | 121 |
C39A—H39A···O11A | 0.93 | 2.38 | 2.959 (11) | 120 |
C43B—H43B···O2B | 0.93 | 2.53 | 3.42 (2) | 158 |
C11A—H11A···Cg1i | 0.93 | 2.95 | 3.742 (12) | 144 |
C11B—H11B···Cg2ii | 0.93 | 2.85 | 3.664 (10) | 147 |
C16A—H16A···Cg1iii | 0.93 | 2.82 | 3.668 (10) | 151 |
C16B—H16B···Cg2 | 0.93 | 2.82 | 3.627 (10) | 146 |
C24A—H24A···Cg3iv | 0.93 | 2.96 | 3.719 (10) | 140 |
C24B—H24B···Cg4v | 0.93 | 2.91 | 3.679 (10) | 141 |
C36B—H36B···Cg5ii | 0.93 | 2.85 | 3.756 (12) | 166 |
C40A—H40A···Cg6vi | 0.93 | 2.82 | 3.660 (10) | 150 |
C40B—H40B···Cg7vii | 0.93 | 2.71 | 3.55 (2) | 150 |
C40C—H40C···Cg7vii | 0.93 | 2.70 | 3.56 (3) | 154 |
Symmetry codes: (i) −x+1, y+1/2, −z+3/2; (ii) −x, y−1/2, −z+3/2; (iii) x, y+1, z; (iv) −x, y+1/2, −z+3/2; (v) −x+1, y−1/2, −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] |
Mr | 1337.84 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 100 |
a, b, c (Å) | 15.6537 (3), 21.3662 (4), 30.1698 (6) |
β (°) | 90.125 (1) |
V (Å3) | 10090.6 (3) |
Z | 8 |
Radiation type | Mo Kα |
µ (mm−1) | 2.28 |
Crystal size (mm) | 0.25 × 0.23 × 0.04 |
Data collection | |
Diffractometer | Bruker SMART APEXII CCD area-detector diffractometer |
Absorption correction | Multi-scan (SADABS; Bruker, 2005) |
Tmin, Tmax | 0.604, 0.918 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 235438, 29385, 22171 |
Rint | 0.080 |
(sin θ/λ)max (Å−1) | 0.703 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.059, 0.132, 1.07 |
No. of reflections | 29385 |
No. of parameters | 1275 |
No. of restraints | 174 |
H-atom treatment | H-atom parameters constrained |
w = 1/[σ2(Fo2) + (0.0243P)2 + 105.7247P] where P = (Fo2 + 2Fc2)/3 | |
Δρmax, Δρmin (e Å−3) | 2.75, −2.02 |
Computer programs: APEX2 (Bruker, 2005), SAINT (Bruker, 2005), SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009).
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···A | D—H | H···A | D···A | D—H···A |
C31A—H31A···O12A | 0.93 | 2.42 | 3.014 (13) | 121 |
C39A—H39A···O11A | 0.93 | 2.38 | 2.959 (11) | 120 |
C43B—H43B···O2B | 0.93 | 2.53 | 3.42 (2) | 158 |
C11A—H11A···Cg1i | 0.93 | 2.95 | 3.742 (12) | 144 |
C11B—H11B···Cg2ii | 0.93 | 2.85 | 3.664 (10) | 147 |
C16A—H16A···Cg1iii | 0.93 | 2.82 | 3.668 (10) | 151 |
C16B—H16B···Cg2 | 0.93 | 2.82 | 3.627 (10) | 146 |
C24A—H24A···Cg3iv | 0.93 | 2.96 | 3.719 (10) | 140 |
C24B—H24B···Cg4v | 0.93 | 2.91 | 3.679 (10) | 141 |
C36B—H36B···Cg5ii | 0.93 | 2.85 | 3.756 (12) | 166 |
C40A—H40A···Cg6vi | 0.93 | 2.82 | 3.660 (10) | 150 |
C40B—H40B···Cg7vii | 0.93 | 2.71 | 3.55 (2) | 150 |
C40C—H40C···Cg7vii | 0.93 | 2.70 | 3.56 (3) | 154 |
Symmetry codes: (i) −x+1, y+1/2, −z+3/2; (ii) −x, y−1/2, −z+3/2; (iii) x, y+1, z; (iv) −x, y+1/2, −z+3/2; (v) −x+1, y−1/2, −z+3/2; (vi) −x+1, −y+1, −z+1; (vii) −x, −y+1, −z+1. |
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).