metal-organic compounds
[μ-Bis(diphenylarsanyl)methane-1:2κ2As:As′]nonacarbonyl-1κ3C,2κ3C,3κ3C-(triisopropyl phosphite-3κP)-triangulo-triruthenium(0)
aChemical Sciences Programme, School of Distance Education, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia, and bX-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia
*Correspondence e-mail: omarsa@usm.my
The triangulo-triruthenium compound, Ru3(CO)9(μ-Ph2AsCH2AsPh2)(P[OCH(CH3)2]3) or [Ru3(C25H22As2)(C9H21O3P)(CO)9], contains two molecules of the triangulo-triruthenium complex. The bis(diphenylarsanyl)methane ligand bridges an Ru—Ru bond and the monodentate phosphite ligand binds to the third Ru atom. Both the arsine and phosphite ligands are equatorial with respect to the Ru3 triangle. Additionally, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The dihedral angles between the pairs of benzene rings bound to individual As atoms are 85.67 (8) and 75.91 (8) in the first independent molecule and 74.64 (8) and 70.76 (9) in the second. In the crystal, molecules are linked into a three-dimensional framework by intermolecular C—H⋯O hydrogen bonds.
of the titleRelated literature
For related structures, see: Bruce et al. (1983, 1988); Churchill et al. (1977); Shawkataly et al. (1998). For the synthesis, see: Shawkataly et al. (2011); Bruce et al. (1987). For the stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986).
Experimental
Crystal data
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Refinement
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Data collection: APEX2 (Bruker, 2009); cell SAINT (Bruker, 2009); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009).
Supporting information
10.1107/S1600536811012050/sj5121sup1.cif
contains datablocks global, I. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536811012050/sj5121Isup2.hkl
All manipulations were performed under a dry, oxygen-free dinitrogen atmosphere using standard Schlenk techniques. All solvents were dried over sodium and distilled from sodium benzophenone ketyl under nitrogen (Bruce et al., 1987). Isopropyl phosphite was used as received and bis(diphenylarsino)methane (Bruce et al., 1983) was prepared by the reported procedure.
Equimolar quantities of Ru3(CO)10(µ-Ph2AsCH2AsPh) and isopropyl phosphite were refluxed in THF under nitrogen for 20 minutes. The reaction mixture turned intense red. The solvent was removed under vacuum. The reaction mixture was separated by TLC (dichloromethane:hexane, 1:3). Two bands appeared. The major band (red) Rf = 0.61 was separated and characterized. The compound was crystallised from CH2Cl2- CH3OH, 1:3 yield = 55.2 %, m.p. 189°C. IR(cyclohexane): v (CO) 2127s, 2059 vs, 2042 s, 2017 s, 1988 s cm-1.
All hydrogen atoms were positioned geometrically and refined using a riding model with C—H = 0.93–0.98 Å and Uiso(H) = 1.2Ueq(C) and 1.5Ueq (C of methyl group).
Data collection: APEX2 (Bruker, 2009); cell
SAINT (Bruker, 2009); data reduction: SAINT (Bruker, 2009); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009).[Ru3(C25H22As2)(C9H21O3P)(CO)9] | Z = 4 |
Mr = 1235.79 | F(000) = 2440 |
Triclinic, P1 | Dx = 1.749 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 12.3481 (3) Å | Cell parameters from 9785 reflections |
b = 18.1697 (4) Å | θ = 2.8–37.6° |
c = 21.5295 (5) Å | µ = 2.45 mm−1 |
α = 93.494 (1)° | T = 100 K |
β = 103.230 (1)° | Plate, red |
γ = 90.383 (1)° | 0.35 × 0.23 × 0.19 mm |
V = 4692.38 (19) Å3 |
Bruker APEXII DUO CCD area-detector diffractometer | 40931 independent reflections |
Radiation source: fine-focus sealed tube | 35153 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.026 |
ϕ and ω scans | θmax = 35.0°, θmin = 1.8° |
Absorption correction: multi-scan (SADABS; Bruker, 2009) | h = −19→19 |
Tmin = 0.483, Tmax = 0.659 | k = −29→29 |
161249 measured reflections | l = −34→34 |
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)] = 0.024 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.055 | H-atom parameters constrained |
S = 1.01 | w = 1/[σ2(Fo2) + (0.0207P)2 + 3.4447P] where P = (Fo2 + 2Fc2)/3 |
40931 reflections | (Δ/σ)max = 0.005 |
1093 parameters | Δρmax = 1.57 e Å−3 |
0 restraints | Δρmin = −1.26 e Å−3 |
[Ru3(C25H22As2)(C9H21O3P)(CO)9] | γ = 90.383 (1)° |
Mr = 1235.79 | V = 4692.38 (19) Å3 |
Triclinic, P1 | Z = 4 |
a = 12.3481 (3) Å | Mo Kα radiation |
b = 18.1697 (4) Å | µ = 2.45 mm−1 |
c = 21.5295 (5) Å | T = 100 K |
α = 93.494 (1)° | 0.35 × 0.23 × 0.19 mm |
β = 103.230 (1)° |
Bruker APEXII DUO CCD area-detector diffractometer | 40931 independent reflections |
Absorption correction: multi-scan (SADABS; Bruker, 2009) | 35153 reflections with I > 2σ(I) |
Tmin = 0.483, Tmax = 0.659 | Rint = 0.026 |
161249 measured reflections |
R[F2 > 2σ(F2)] = 0.024 | 0 restraints |
wR(F2) = 0.055 | H-atom parameters constrained |
S = 1.01 | Δρmax = 1.57 e Å−3 |
40931 reflections | Δρmin = −1.26 e Å−3 |
1093 parameters |
Experimental. The crystal was placed in the cold stream of an Oxford Cyrosystems Cobra open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K. |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > 2sigma(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Ru1A | 0.185622 (9) | 0.312340 (6) | 0.427544 (5) | 0.01368 (2) | |
Ru2A | 0.340063 (9) | 0.193747 (6) | 0.432267 (5) | 0.01354 (2) | |
Ru3A | 0.197922 (9) | 0.197674 (6) | 0.517361 (5) | 0.01439 (2) | |
As1A | 0.236634 (11) | 0.355824 (7) | 0.331871 (6) | 0.01348 (2) | |
As2A | 0.428726 (11) | 0.234754 (8) | 0.351165 (6) | 0.01387 (2) | |
P1A | 0.05349 (3) | 0.20550 (2) | 0.567872 (17) | 0.01507 (6) | |
O1A | −0.03079 (10) | 0.22772 (7) | 0.36225 (6) | 0.0276 (2) | |
O2A | 0.03402 (11) | 0.43647 (7) | 0.44928 (6) | 0.0281 (3) | |
O3A | 0.37695 (11) | 0.39986 (7) | 0.51876 (6) | 0.0268 (2) | |
O4A | 0.51675 (10) | 0.26282 (7) | 0.54581 (6) | 0.0247 (2) | |
O5A | 0.43156 (12) | 0.03960 (7) | 0.44851 (7) | 0.0338 (3) | |
O6A | 0.16098 (10) | 0.13352 (7) | 0.31667 (6) | 0.0269 (2) | |
O7A | 0.04765 (11) | 0.08535 (7) | 0.42250 (6) | 0.0293 (2) | |
O8A | 0.32119 (11) | 0.06903 (7) | 0.58178 (6) | 0.0302 (3) | |
O9A | 0.33184 (11) | 0.30623 (8) | 0.62211 (6) | 0.0303 (3) | |
O10A | 0.04745 (9) | 0.14607 (6) | 0.61850 (5) | 0.01956 (19) | |
O11A | −0.06140 (9) | 0.18840 (6) | 0.51830 (5) | 0.01920 (19) | |
O12A | 0.03848 (9) | 0.27785 (6) | 0.61109 (5) | 0.01966 (19) | |
C1A | 0.12125 (11) | 0.38267 (7) | 0.25888 (7) | 0.0154 (2) | |
C2A | 0.02752 (13) | 0.41811 (9) | 0.27021 (8) | 0.0230 (3) | |
H2AA | 0.0163 | 0.4234 | 0.3115 | 0.028* | |
C3A | −0.04975 (14) | 0.44579 (10) | 0.21959 (9) | 0.0270 (3) | |
H3AA | −0.1118 | 0.4701 | 0.2274 | 0.032* | |
C4A | −0.03447 (13) | 0.43732 (9) | 0.15792 (8) | 0.0229 (3) | |
H4AA | −0.0861 | 0.4560 | 0.1244 | 0.027* | |
C5A | 0.05729 (14) | 0.40114 (10) | 0.14619 (8) | 0.0258 (3) | |
H5AA | 0.0667 | 0.3945 | 0.1046 | 0.031* | |
C6A | 0.13607 (13) | 0.37452 (9) | 0.19675 (7) | 0.0234 (3) | |
H6AA | 0.1988 | 0.3512 | 0.1888 | 0.028* | |
C7A | 0.32135 (11) | 0.44843 (8) | 0.34206 (7) | 0.0158 (2) | |
C8A | 0.38946 (14) | 0.46559 (9) | 0.30141 (8) | 0.0221 (3) | |
H8AA | 0.4005 | 0.4307 | 0.2701 | 0.027* | |
C9A | 0.44112 (14) | 0.53480 (9) | 0.30737 (8) | 0.0239 (3) | |
H9AA | 0.4866 | 0.5458 | 0.2801 | 0.029* | |
C10A | 0.42536 (13) | 0.58731 (9) | 0.35355 (8) | 0.0222 (3) | |
H10A | 0.4602 | 0.6334 | 0.3574 | 0.027* | |
C11A | 0.35700 (14) | 0.57061 (9) | 0.39414 (8) | 0.0231 (3) | |
H11A | 0.3459 | 0.6058 | 0.4252 | 0.028* | |
C12A | 0.30522 (13) | 0.50151 (8) | 0.38852 (7) | 0.0195 (2) | |
H12A | 0.2597 | 0.4907 | 0.4158 | 0.023* | |
C13A | 0.32281 (12) | 0.28819 (8) | 0.28830 (6) | 0.0162 (2) | |
H13A | 0.2728 | 0.2533 | 0.2594 | 0.019* | |
H13B | 0.3628 | 0.3159 | 0.2632 | 0.019* | |
C14A | 0.47177 (12) | 0.15555 (7) | 0.29804 (7) | 0.0163 (2) | |
C15A | 0.54633 (13) | 0.10433 (9) | 0.32842 (7) | 0.0217 (3) | |
H15A | 0.5753 | 0.1102 | 0.3723 | 0.026* | |
C16A | 0.57737 (14) | 0.04462 (9) | 0.29348 (8) | 0.0243 (3) | |
H16A | 0.6276 | 0.0110 | 0.3138 | 0.029* | |
C17A | 0.53324 (14) | 0.03528 (8) | 0.22813 (8) | 0.0230 (3) | |
H17A | 0.5542 | −0.0046 | 0.2046 | 0.028* | |
C18A | 0.45801 (14) | 0.08520 (8) | 0.19785 (7) | 0.0219 (3) | |
H18A | 0.4278 | 0.0784 | 0.1541 | 0.026* | |
C19A | 0.42734 (13) | 0.14551 (8) | 0.23259 (7) | 0.0184 (2) | |
H19A | 0.3771 | 0.1791 | 0.2120 | 0.022* | |
C20A | 0.55895 (12) | 0.30004 (8) | 0.37121 (7) | 0.0171 (2) | |
C21A | 0.56048 (13) | 0.36082 (8) | 0.41418 (7) | 0.0208 (3) | |
H21A | 0.5007 | 0.3686 | 0.4332 | 0.025* | |
C22A | 0.65110 (15) | 0.40982 (9) | 0.42867 (8) | 0.0267 (3) | |
H22A | 0.6512 | 0.4509 | 0.4567 | 0.032* | |
C23A | 0.74138 (14) | 0.39751 (10) | 0.40137 (9) | 0.0288 (3) | |
H23A | 0.8021 | 0.4302 | 0.4112 | 0.035* | |
C24A | 0.74112 (14) | 0.33647 (10) | 0.35934 (9) | 0.0271 (3) | |
H24A | 0.8021 | 0.3279 | 0.3415 | 0.033* | |
C25A | 0.64965 (13) | 0.28783 (9) | 0.34373 (8) | 0.0216 (3) | |
H25A | 0.6492 | 0.2474 | 0.3151 | 0.026* | |
C26A | 0.13545 (13) | 0.13752 (9) | 0.67551 (7) | 0.0226 (3) | |
H26A | 0.2071 | 0.1510 | 0.6666 | 0.027* | |
C27A | 0.1157 (2) | 0.18750 (15) | 0.73067 (11) | 0.0520 (5) | |
H27A | 0.1225 | 0.2381 | 0.7213 | 0.078* | |
H27B | 0.1698 | 0.1780 | 0.7689 | 0.078* | |
H27C | 0.0424 | 0.1781 | 0.7368 | 0.078* | |
C28A | 0.13514 (19) | 0.05692 (11) | 0.68819 (11) | 0.0395 (5) | |
H28A | 0.1436 | 0.0279 | 0.6509 | 0.059* | |
H28B | 0.0660 | 0.0437 | 0.6982 | 0.059* | |
H28C | 0.1956 | 0.0477 | 0.7235 | 0.059* | |
C29A | −0.16430 (12) | 0.16323 (9) | 0.53451 (8) | 0.0219 (3) | |
H29A | −0.1631 | 0.1786 | 0.5791 | 0.026* | |
C30A | −0.17230 (18) | 0.08025 (11) | 0.52515 (13) | 0.0427 (4) | |
H30A | −0.1106 | 0.0593 | 0.5537 | 0.064* | |
H30B | −0.1707 | 0.0654 | 0.4818 | 0.064* | |
H30C | −0.2407 | 0.0632 | 0.5340 | 0.064* | |
C31A | −0.25866 (18) | 0.19967 (14) | 0.49048 (12) | 0.0440 (4) | |
H31A | −0.2528 | 0.2521 | 0.4996 | 0.066* | |
H31B | −0.3283 | 0.1818 | 0.4969 | 0.066* | |
H31C | −0.2549 | 0.1883 | 0.4469 | 0.066* | |
C32A | 0.04283 (14) | 0.35253 (8) | 0.59024 (8) | 0.0223 (3) | |
H32A | 0.0905 | 0.3536 | 0.5596 | 0.027* | |
C33A | −0.07353 (16) | 0.37404 (10) | 0.55800 (10) | 0.0302 (4) | |
H33A | −0.0996 | 0.3430 | 0.5197 | 0.045* | |
H33B | −0.0728 | 0.4246 | 0.5474 | 0.045* | |
H33C | −0.1221 | 0.3683 | 0.5865 | 0.045* | |
C34A | 0.09399 (19) | 0.40151 (10) | 0.64906 (10) | 0.0348 (4) | |
H34A | 0.1656 | 0.3833 | 0.6688 | 0.052* | |
H34B | 0.0466 | 0.4014 | 0.6787 | 0.052* | |
H34C | 0.1023 | 0.4509 | 0.6370 | 0.052* | |
C35A | 0.05387 (13) | 0.25422 (8) | 0.38600 (7) | 0.0198 (3) | |
C36A | 0.09066 (13) | 0.38836 (8) | 0.44165 (7) | 0.0186 (2) | |
C37A | 0.30942 (13) | 0.36302 (8) | 0.48535 (7) | 0.0194 (2) | |
C38A | 0.44768 (12) | 0.23894 (8) | 0.50448 (7) | 0.0181 (2) | |
C39A | 0.40018 (13) | 0.09858 (9) | 0.44396 (7) | 0.0209 (3) | |
C40A | 0.22252 (12) | 0.15734 (8) | 0.36194 (7) | 0.0189 (2) | |
C41A | 0.10377 (13) | 0.12908 (8) | 0.45433 (7) | 0.0207 (3) | |
C42A | 0.27394 (13) | 0.11760 (9) | 0.55825 (7) | 0.0208 (3) | |
C43A | 0.28449 (13) | 0.26821 (9) | 0.58020 (7) | 0.0211 (3) | |
Ru1B | 0.339824 (9) | 0.737543 (6) | 0.020451 (5) | 0.01278 (2) | |
Ru2B | 0.554997 (9) | 0.807238 (6) | 0.065368 (5) | 0.01303 (2) | |
Ru3B | 0.409502 (9) | 0.797940 (6) | 0.148373 (5) | 0.01333 (2) | |
As1B | 0.354067 (12) | 0.725193 (8) | −0.090391 (7) | 0.01419 (2) | |
As2B | 0.617117 (12) | 0.757903 (8) | −0.027337 (7) | 0.01422 (2) | |
P1B | 0.24434 (3) | 0.79901 (2) | 0.179505 (17) | 0.01526 (6) | |
O1B | 0.48228 (10) | 0.60037 (6) | 0.04909 (6) | 0.0230 (2) | |
O2B | 0.12319 (10) | 0.65451 (7) | 0.01519 (7) | 0.0297 (3) | |
O3B | 0.19725 (10) | 0.87497 (6) | −0.00891 (6) | 0.0250 (2) | |
O4B | 0.43815 (10) | 0.92849 (6) | −0.01740 (6) | 0.0259 (2) | |
O5B | 0.72668 (10) | 0.92191 (7) | 0.13537 (6) | 0.0285 (2) | |
O6B | 0.67389 (10) | 0.68923 (6) | 0.15124 (6) | 0.0234 (2) | |
O7B | 0.44806 (12) | 0.63705 (7) | 0.18197 (6) | 0.0296 (3) | |
O8B | 0.58619 (11) | 0.84901 (8) | 0.26636 (6) | 0.0324 (3) | |
O9B | 0.35312 (11) | 0.95402 (6) | 0.10515 (6) | 0.0254 (2) | |
O10B | 0.24208 (10) | 0.83223 (7) | 0.24973 (6) | 0.0260 (2) | |
O11B | 0.17395 (9) | 0.72522 (6) | 0.17894 (6) | 0.0217 (2) | |
O12B | 0.15674 (9) | 0.84427 (6) | 0.13157 (5) | 0.0203 (2) | |
C1B | 0.33933 (12) | 0.62820 (7) | −0.13510 (7) | 0.0163 (2) | |
C2B | 0.35030 (13) | 0.62110 (8) | −0.19829 (7) | 0.0201 (3) | |
H2BA | 0.3574 | 0.6630 | −0.2200 | 0.024* | |
C3B | 0.35059 (14) | 0.55150 (9) | −0.22884 (7) | 0.0227 (3) | |
H3BA | 0.3578 | 0.5468 | −0.2709 | 0.027* | |
C4B | 0.34000 (13) | 0.48894 (9) | −0.19637 (8) | 0.0227 (3) | |
H4BA | 0.3419 | 0.4423 | −0.2165 | 0.027* | |
C5B | 0.32664 (12) | 0.49591 (8) | −0.13416 (7) | 0.0200 (3) | |
H5BA | 0.3180 | 0.4540 | −0.1129 | 0.024* | |
C6B | 0.32616 (12) | 0.56564 (8) | −0.10337 (7) | 0.0177 (2) | |
H6BA | 0.3170 | 0.5702 | −0.0616 | 0.021* | |
C7B | 0.25050 (12) | 0.78285 (8) | −0.14899 (7) | 0.0169 (2) | |
C8B | 0.27299 (15) | 0.85673 (9) | −0.15500 (9) | 0.0279 (3) | |
H8BA | 0.3416 | 0.8778 | −0.1343 | 0.033* | |
C9B | 0.19267 (16) | 0.89929 (9) | −0.19204 (9) | 0.0317 (4) | |
H9BA | 0.2081 | 0.9487 | −0.1961 | 0.038* | |
C10B | 0.09035 (15) | 0.86873 (9) | −0.22268 (8) | 0.0272 (3) | |
H10B | 0.0372 | 0.8972 | −0.2477 | 0.033* | |
C11B | 0.06720 (13) | 0.79510 (9) | −0.21592 (8) | 0.0235 (3) | |
H11B | −0.0020 | 0.7745 | −0.2360 | 0.028* | |
C12B | 0.14688 (12) | 0.75218 (8) | −0.17930 (7) | 0.0197 (3) | |
H12B | 0.1310 | 0.7029 | −0.1750 | 0.024* | |
C13B | 0.49808 (12) | 0.75811 (8) | −0.10505 (7) | 0.0188 (2) | |
H13C | 0.5175 | 0.7258 | −0.1382 | 0.023* | |
H13D | 0.4912 | 0.8076 | −0.1199 | 0.023* | |
C14B | 0.67501 (13) | 0.65916 (8) | −0.02879 (7) | 0.0190 (3) | |
C15B | 0.77084 (15) | 0.64590 (9) | 0.01763 (8) | 0.0255 (3) | |
H15B | 0.7999 | 0.6823 | 0.0495 | 0.031* | |
C16B | 0.82291 (18) | 0.57824 (10) | 0.01631 (10) | 0.0337 (4) | |
H16B | 0.8874 | 0.5696 | 0.0468 | 0.040* | |
C17B | 0.77798 (18) | 0.52375 (10) | −0.03081 (11) | 0.0370 (5) | |
H17B | 0.8129 | 0.4787 | −0.0320 | 0.044* | |
C18B | 0.68180 (17) | 0.53615 (10) | −0.07589 (11) | 0.0357 (4) | |
H18B | 0.6513 | 0.4990 | −0.1067 | 0.043* | |
C19B | 0.63018 (14) | 0.60414 (9) | −0.07547 (9) | 0.0265 (3) | |
H19B | 0.5660 | 0.6126 | −0.1063 | 0.032* | |
C20B | 0.73519 (12) | 0.81087 (8) | −0.05346 (7) | 0.0173 (2) | |
C21B | 0.80847 (14) | 0.77348 (9) | −0.08396 (8) | 0.0247 (3) | |
H21B | 0.7994 | 0.7229 | −0.0937 | 0.030* | |
C22B | 0.89520 (16) | 0.81160 (10) | −0.09990 (10) | 0.0316 (4) | |
H22B | 0.9443 | 0.7864 | −0.1201 | 0.038* | |
C23B | 0.90882 (15) | 0.88701 (10) | −0.08582 (10) | 0.0307 (4) | |
H23B | 0.9672 | 0.9124 | −0.0963 | 0.037* | |
C24B | 0.83519 (14) | 0.92459 (9) | −0.05607 (9) | 0.0267 (3) | |
H24B | 0.8437 | 0.9753 | −0.0472 | 0.032* | |
C25B | 0.74863 (12) | 0.88669 (8) | −0.03947 (8) | 0.0208 (3) | |
H25B | 0.6999 | 0.9120 | −0.0191 | 0.025* | |
C26B | 0.31227 (16) | 0.89327 (10) | 0.28401 (9) | 0.0305 (4) | |
H26B | 0.3632 | 0.9091 | 0.2583 | 0.037* | |
C27B | 0.2382 (2) | 0.95604 (15) | 0.29488 (11) | 0.0520 (5) | |
H27D | 0.1988 | 0.9722 | 0.2544 | 0.078* | |
H27E | 0.2828 | 0.9962 | 0.3190 | 0.078* | |
H27F | 0.1858 | 0.9397 | 0.3182 | 0.078* | |
C28B | 0.37867 (18) | 0.86573 (14) | 0.34603 (9) | 0.0392 (4) | |
H28D | 0.4231 | 0.8251 | 0.3369 | 0.059* | |
H28E | 0.3287 | 0.8498 | 0.3710 | 0.059* | |
H28F | 0.4263 | 0.9048 | 0.3696 | 0.059* | |
C29B | 0.20585 (15) | 0.66959 (10) | 0.22553 (10) | 0.0293 (4) | |
H29B | 0.2850 | 0.6757 | 0.2464 | 0.035* | |
C30B | 0.18501 (18) | 0.59571 (11) | 0.18843 (13) | 0.0427 (4) | |
H30D | 0.2279 | 0.5930 | 0.1564 | 0.064* | |
H30E | 0.1074 | 0.5900 | 0.1682 | 0.064* | |
H30F | 0.2065 | 0.5571 | 0.2170 | 0.064* | |
C31B | 0.13696 (18) | 0.67900 (14) | 0.27457 (12) | 0.0440 (4) | |
H31D | 0.1547 | 0.7259 | 0.2980 | 0.066* | |
H31E | 0.1527 | 0.6403 | 0.3035 | 0.066* | |
H31F | 0.0594 | 0.6769 | 0.2535 | 0.066* | |
C32B | 0.04202 (12) | 0.85458 (9) | 0.13787 (8) | 0.0227 (3) | |
H32B | 0.0375 | 0.8471 | 0.1819 | 0.027* | |
C33B | −0.03334 (15) | 0.79981 (11) | 0.09303 (11) | 0.0365 (4) | |
H33D | −0.0127 | 0.7507 | 0.1045 | 0.055* | |
H33E | −0.0266 | 0.8058 | 0.0501 | 0.055* | |
H33F | −0.1089 | 0.8078 | 0.0958 | 0.055* | |
C34B | 0.01410 (15) | 0.93339 (10) | 0.12292 (11) | 0.0319 (4) | |
H34D | 0.0661 | 0.9663 | 0.1518 | 0.048* | |
H34E | −0.0599 | 0.9433 | 0.1278 | 0.048* | |
H34F | 0.0184 | 0.9407 | 0.0797 | 0.048* | |
C35B | 0.43313 (12) | 0.65362 (8) | 0.04108 (7) | 0.0171 (2) | |
C36B | 0.20505 (12) | 0.68588 (8) | 0.01746 (7) | 0.0191 (2) | |
C37B | 0.25441 (12) | 0.82674 (8) | 0.00457 (7) | 0.0179 (2) | |
C38B | 0.47542 (12) | 0.88203 (8) | 0.01420 (7) | 0.0184 (2) | |
C39B | 0.66404 (12) | 0.87716 (8) | 0.10905 (7) | 0.0182 (2) | |
C40B | 0.62378 (12) | 0.73118 (8) | 0.11932 (7) | 0.0178 (2) | |
C41B | 0.43382 (13) | 0.69593 (8) | 0.16652 (7) | 0.0203 (3) | |
C42B | 0.51685 (13) | 0.83132 (9) | 0.22284 (7) | 0.0213 (3) | |
C43B | 0.37617 (12) | 0.89545 (8) | 0.11856 (7) | 0.0188 (2) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ru1A | 0.01498 (4) | 0.01348 (4) | 0.01328 (4) | 0.00320 (3) | 0.00426 (3) | 0.00231 (3) |
Ru2A | 0.01373 (4) | 0.01421 (4) | 0.01253 (4) | 0.00283 (3) | 0.00234 (3) | 0.00207 (3) |
Ru3A | 0.01465 (4) | 0.01462 (4) | 0.01440 (4) | 0.00116 (3) | 0.00371 (4) | 0.00334 (3) |
As1A | 0.01435 (6) | 0.01388 (6) | 0.01247 (6) | 0.00331 (4) | 0.00323 (4) | 0.00196 (4) |
As2A | 0.01417 (6) | 0.01534 (6) | 0.01208 (6) | 0.00351 (4) | 0.00263 (4) | 0.00179 (4) |
P1A | 0.01446 (14) | 0.01624 (15) | 0.01473 (14) | 0.00120 (11) | 0.00285 (12) | 0.00451 (11) |
O1A | 0.0223 (5) | 0.0260 (6) | 0.0318 (6) | 0.0010 (4) | 0.0012 (5) | 0.0003 (5) |
O2A | 0.0316 (6) | 0.0217 (5) | 0.0361 (7) | 0.0102 (5) | 0.0170 (5) | 0.0054 (5) |
O3A | 0.0284 (6) | 0.0238 (5) | 0.0243 (6) | 0.0000 (4) | −0.0017 (5) | 0.0002 (4) |
O4A | 0.0218 (5) | 0.0287 (6) | 0.0209 (5) | 0.0021 (4) | −0.0001 (4) | −0.0016 (4) |
O5A | 0.0432 (8) | 0.0236 (6) | 0.0329 (7) | 0.0138 (5) | 0.0039 (6) | 0.0060 (5) |
O6A | 0.0214 (5) | 0.0308 (6) | 0.0246 (6) | 0.0032 (4) | −0.0008 (4) | −0.0047 (5) |
O7A | 0.0334 (6) | 0.0240 (6) | 0.0284 (6) | −0.0051 (5) | 0.0038 (5) | −0.0012 (5) |
O8A | 0.0347 (7) | 0.0281 (6) | 0.0285 (6) | 0.0116 (5) | 0.0059 (5) | 0.0110 (5) |
O9A | 0.0289 (6) | 0.0367 (7) | 0.0241 (6) | −0.0104 (5) | 0.0054 (5) | −0.0039 (5) |
O10A | 0.0167 (4) | 0.0221 (5) | 0.0202 (5) | 0.0008 (4) | 0.0026 (4) | 0.0104 (4) |
O11A | 0.0148 (4) | 0.0246 (5) | 0.0178 (5) | 0.0010 (4) | 0.0020 (4) | 0.0049 (4) |
O12A | 0.0248 (5) | 0.0181 (5) | 0.0181 (5) | 0.0012 (4) | 0.0084 (4) | 0.0034 (4) |
C1A | 0.0148 (5) | 0.0143 (5) | 0.0159 (6) | 0.0017 (4) | 0.0011 (4) | 0.0023 (4) |
C2A | 0.0174 (6) | 0.0307 (8) | 0.0205 (7) | 0.0070 (5) | 0.0032 (5) | 0.0026 (6) |
C3A | 0.0183 (7) | 0.0320 (8) | 0.0293 (8) | 0.0089 (6) | 0.0017 (6) | 0.0040 (6) |
C4A | 0.0165 (6) | 0.0227 (7) | 0.0267 (7) | 0.0005 (5) | −0.0026 (5) | 0.0089 (6) |
C5A | 0.0242 (7) | 0.0336 (8) | 0.0186 (7) | 0.0049 (6) | 0.0014 (6) | 0.0080 (6) |
C6A | 0.0221 (7) | 0.0304 (8) | 0.0178 (6) | 0.0097 (6) | 0.0034 (5) | 0.0050 (5) |
C7A | 0.0160 (5) | 0.0167 (6) | 0.0148 (5) | 0.0018 (4) | 0.0029 (4) | 0.0031 (4) |
C8A | 0.0269 (7) | 0.0210 (6) | 0.0213 (7) | 0.0017 (5) | 0.0111 (6) | 0.0025 (5) |
C9A | 0.0245 (7) | 0.0235 (7) | 0.0267 (7) | −0.0003 (5) | 0.0113 (6) | 0.0063 (6) |
C10A | 0.0216 (7) | 0.0209 (6) | 0.0230 (7) | −0.0033 (5) | 0.0022 (5) | 0.0034 (5) |
C11A | 0.0265 (7) | 0.0208 (7) | 0.0216 (7) | −0.0037 (5) | 0.0058 (6) | −0.0023 (5) |
C12A | 0.0214 (6) | 0.0192 (6) | 0.0186 (6) | −0.0009 (5) | 0.0064 (5) | 0.0003 (5) |
C13A | 0.0175 (6) | 0.0171 (6) | 0.0138 (5) | 0.0054 (4) | 0.0032 (4) | 0.0018 (4) |
C14A | 0.0181 (6) | 0.0155 (5) | 0.0159 (6) | 0.0027 (4) | 0.0051 (5) | 0.0016 (4) |
C15A | 0.0234 (7) | 0.0232 (7) | 0.0178 (6) | 0.0089 (5) | 0.0031 (5) | 0.0012 (5) |
C16A | 0.0272 (7) | 0.0216 (7) | 0.0243 (7) | 0.0100 (6) | 0.0057 (6) | 0.0032 (5) |
C17A | 0.0314 (8) | 0.0162 (6) | 0.0230 (7) | 0.0043 (5) | 0.0095 (6) | 0.0011 (5) |
C18A | 0.0324 (8) | 0.0161 (6) | 0.0172 (6) | 0.0016 (5) | 0.0056 (6) | 0.0005 (5) |
C19A | 0.0240 (7) | 0.0151 (6) | 0.0158 (6) | 0.0023 (5) | 0.0033 (5) | 0.0020 (4) |
C20A | 0.0158 (6) | 0.0189 (6) | 0.0159 (6) | 0.0016 (4) | 0.0013 (5) | 0.0044 (5) |
C21A | 0.0211 (6) | 0.0218 (6) | 0.0188 (6) | 0.0008 (5) | 0.0029 (5) | 0.0016 (5) |
C22A | 0.0288 (8) | 0.0247 (7) | 0.0233 (7) | −0.0051 (6) | −0.0007 (6) | 0.0015 (6) |
C23A | 0.0226 (7) | 0.0323 (8) | 0.0292 (8) | −0.0071 (6) | −0.0008 (6) | 0.0108 (7) |
C24A | 0.0178 (6) | 0.0352 (8) | 0.0294 (8) | 0.0010 (6) | 0.0050 (6) | 0.0116 (7) |
C25A | 0.0185 (6) | 0.0260 (7) | 0.0215 (7) | 0.0035 (5) | 0.0059 (5) | 0.0059 (5) |
C26A | 0.0204 (6) | 0.0299 (7) | 0.0183 (6) | 0.0050 (5) | 0.0036 (5) | 0.0106 (5) |
C27A | 0.0609 (11) | 0.0565 (10) | 0.0322 (7) | 0.0290 (9) | −0.0004 (7) | −0.0087 (7) |
C28A | 0.0400 (10) | 0.0346 (10) | 0.0419 (11) | 0.0058 (8) | 0.0000 (9) | 0.0227 (8) |
C29A | 0.0155 (6) | 0.0260 (7) | 0.0242 (7) | −0.0007 (5) | 0.0044 (5) | 0.0035 (5) |
C30A | 0.0312 (7) | 0.0245 (6) | 0.0691 (11) | −0.0042 (5) | 0.0036 (7) | 0.0074 (6) |
C31A | 0.0319 (7) | 0.0525 (9) | 0.0538 (9) | 0.0109 (6) | 0.0167 (7) | 0.0258 (8) |
C32A | 0.0283 (7) | 0.0176 (6) | 0.0243 (7) | −0.0001 (5) | 0.0124 (6) | 0.0028 (5) |
C33A | 0.0337 (9) | 0.0229 (7) | 0.0383 (9) | 0.0087 (6) | 0.0150 (7) | 0.0102 (7) |
C34A | 0.0459 (11) | 0.0261 (8) | 0.0351 (9) | −0.0104 (7) | 0.0176 (8) | −0.0073 (7) |
C35A | 0.0209 (6) | 0.0179 (6) | 0.0214 (6) | 0.0045 (5) | 0.0061 (5) | 0.0019 (5) |
C36A | 0.0214 (6) | 0.0178 (6) | 0.0185 (6) | 0.0023 (5) | 0.0075 (5) | 0.0039 (5) |
C37A | 0.0212 (6) | 0.0198 (6) | 0.0174 (6) | 0.0044 (5) | 0.0044 (5) | 0.0041 (5) |
C38A | 0.0183 (6) | 0.0195 (6) | 0.0167 (6) | 0.0036 (5) | 0.0044 (5) | 0.0023 (5) |
C39A | 0.0220 (7) | 0.0221 (6) | 0.0180 (6) | 0.0051 (5) | 0.0031 (5) | 0.0026 (5) |
C40A | 0.0165 (6) | 0.0206 (6) | 0.0193 (6) | 0.0043 (5) | 0.0030 (5) | 0.0022 (5) |
C41A | 0.0234 (7) | 0.0190 (6) | 0.0204 (6) | 0.0017 (5) | 0.0059 (5) | 0.0038 (5) |
C42A | 0.0213 (6) | 0.0222 (6) | 0.0198 (6) | 0.0021 (5) | 0.0057 (5) | 0.0049 (5) |
C43A | 0.0188 (6) | 0.0249 (7) | 0.0207 (6) | −0.0016 (5) | 0.0064 (5) | 0.0033 (5) |
Ru1B | 0.01209 (4) | 0.01290 (4) | 0.01270 (4) | −0.00062 (3) | 0.00130 (3) | 0.00173 (3) |
Ru2B | 0.01213 (4) | 0.01236 (4) | 0.01426 (4) | −0.00093 (3) | 0.00238 (3) | 0.00084 (3) |
Ru3B | 0.01277 (4) | 0.01367 (4) | 0.01320 (4) | 0.00093 (3) | 0.00229 (3) | 0.00055 (3) |
As1B | 0.01590 (6) | 0.01336 (6) | 0.01246 (6) | −0.00087 (4) | 0.00123 (5) | 0.00213 (4) |
As2B | 0.01477 (6) | 0.01318 (6) | 0.01513 (6) | −0.00051 (4) | 0.00402 (5) | 0.00199 (4) |
P1B | 0.01455 (14) | 0.01611 (15) | 0.01531 (15) | 0.00140 (11) | 0.00363 (12) | 0.00172 (11) |
O1B | 0.0216 (5) | 0.0187 (5) | 0.0261 (5) | 0.0022 (4) | −0.0001 (4) | 0.0031 (4) |
O2B | 0.0191 (5) | 0.0244 (6) | 0.0455 (8) | −0.0045 (4) | 0.0067 (5) | 0.0045 (5) |
O3B | 0.0235 (5) | 0.0208 (5) | 0.0285 (6) | 0.0046 (4) | 0.0012 (4) | 0.0027 (4) |
O4B | 0.0250 (5) | 0.0199 (5) | 0.0303 (6) | −0.0011 (4) | −0.0002 (5) | 0.0078 (4) |
O5B | 0.0245 (6) | 0.0249 (6) | 0.0321 (6) | −0.0076 (4) | 0.0004 (5) | −0.0040 (5) |
O6B | 0.0236 (5) | 0.0220 (5) | 0.0239 (5) | 0.0024 (4) | 0.0029 (4) | 0.0062 (4) |
O7B | 0.0389 (7) | 0.0230 (5) | 0.0335 (6) | 0.0101 (5) | 0.0191 (6) | 0.0111 (5) |
O8B | 0.0233 (6) | 0.0414 (7) | 0.0266 (6) | 0.0002 (5) | −0.0048 (5) | −0.0052 (5) |
O9B | 0.0295 (6) | 0.0161 (5) | 0.0284 (6) | 0.0023 (4) | 0.0023 (5) | 0.0004 (4) |
O10B | 0.0249 (5) | 0.0348 (6) | 0.0191 (5) | 0.0018 (5) | 0.0086 (4) | −0.0049 (4) |
O11B | 0.0185 (5) | 0.0195 (5) | 0.0275 (5) | −0.0011 (4) | 0.0050 (4) | 0.0069 (4) |
O12B | 0.0142 (4) | 0.0243 (5) | 0.0238 (5) | 0.0038 (4) | 0.0053 (4) | 0.0094 (4) |
C1B | 0.0165 (6) | 0.0157 (5) | 0.0157 (6) | 0.0001 (4) | 0.0018 (5) | 0.0012 (4) |
C2B | 0.0240 (7) | 0.0197 (6) | 0.0164 (6) | 0.0009 (5) | 0.0038 (5) | 0.0020 (5) |
C3B | 0.0257 (7) | 0.0237 (7) | 0.0180 (6) | 0.0050 (5) | 0.0044 (5) | −0.0020 (5) |
C4B | 0.0213 (7) | 0.0189 (6) | 0.0259 (7) | 0.0053 (5) | 0.0020 (6) | −0.0023 (5) |
C5B | 0.0190 (6) | 0.0154 (6) | 0.0237 (7) | 0.0024 (5) | 0.0007 (5) | 0.0026 (5) |
C6B | 0.0174 (6) | 0.0169 (6) | 0.0174 (6) | 0.0002 (5) | 0.0009 (5) | 0.0025 (5) |
C7B | 0.0195 (6) | 0.0164 (6) | 0.0134 (5) | 0.0003 (5) | 0.0004 (5) | 0.0031 (4) |
C8B | 0.0280 (8) | 0.0193 (7) | 0.0299 (8) | −0.0057 (6) | −0.0082 (6) | 0.0070 (6) |
C9B | 0.0342 (9) | 0.0175 (7) | 0.0358 (9) | −0.0042 (6) | −0.0096 (7) | 0.0093 (6) |
C10B | 0.0279 (8) | 0.0227 (7) | 0.0266 (8) | 0.0023 (6) | −0.0048 (6) | 0.0082 (6) |
C11B | 0.0196 (6) | 0.0243 (7) | 0.0242 (7) | −0.0015 (5) | −0.0007 (5) | 0.0065 (6) |
C12B | 0.0195 (6) | 0.0177 (6) | 0.0207 (6) | −0.0017 (5) | 0.0015 (5) | 0.0051 (5) |
C13B | 0.0197 (6) | 0.0210 (6) | 0.0154 (6) | −0.0034 (5) | 0.0029 (5) | 0.0036 (5) |
C14B | 0.0218 (6) | 0.0145 (6) | 0.0236 (7) | 0.0017 (5) | 0.0105 (5) | 0.0035 (5) |
C15B | 0.0304 (8) | 0.0229 (7) | 0.0250 (7) | 0.0069 (6) | 0.0083 (6) | 0.0074 (6) |
C16B | 0.0402 (10) | 0.0287 (8) | 0.0374 (10) | 0.0149 (7) | 0.0156 (8) | 0.0155 (7) |
C17B | 0.0456 (11) | 0.0184 (7) | 0.0571 (13) | 0.0101 (7) | 0.0303 (10) | 0.0108 (7) |
C18B | 0.0372 (10) | 0.0176 (7) | 0.0583 (13) | −0.0025 (6) | 0.0253 (9) | −0.0054 (7) |
C19B | 0.0231 (7) | 0.0199 (7) | 0.0380 (9) | −0.0025 (5) | 0.0119 (7) | −0.0045 (6) |
C20B | 0.0158 (6) | 0.0187 (6) | 0.0181 (6) | −0.0006 (4) | 0.0041 (5) | 0.0055 (5) |
C21B | 0.0277 (7) | 0.0213 (7) | 0.0297 (8) | 0.0011 (6) | 0.0152 (6) | 0.0042 (6) |
C22B | 0.0305 (8) | 0.0283 (8) | 0.0443 (10) | 0.0042 (6) | 0.0237 (8) | 0.0099 (7) |
C23B | 0.0230 (7) | 0.0292 (8) | 0.0460 (10) | 0.0018 (6) | 0.0166 (7) | 0.0163 (7) |
C24B | 0.0223 (7) | 0.0196 (7) | 0.0406 (9) | −0.0012 (5) | 0.0099 (7) | 0.0102 (6) |
C25B | 0.0184 (6) | 0.0171 (6) | 0.0285 (7) | 0.0006 (5) | 0.0071 (5) | 0.0069 (5) |
C26B | 0.0317 (9) | 0.0329 (9) | 0.0235 (8) | 0.0074 (7) | 0.0020 (6) | −0.0100 (6) |
C27B | 0.0609 (11) | 0.0565 (10) | 0.0322 (7) | 0.0290 (9) | −0.0004 (7) | −0.0087 (7) |
C28B | 0.0327 (10) | 0.0588 (13) | 0.0236 (8) | 0.0047 (9) | 0.0029 (7) | −0.0031 (8) |
C29B | 0.0235 (7) | 0.0282 (8) | 0.0414 (10) | 0.0070 (6) | 0.0139 (7) | 0.0184 (7) |
C30B | 0.0312 (7) | 0.0245 (6) | 0.0691 (11) | −0.0042 (5) | 0.0036 (7) | 0.0074 (6) |
C31B | 0.0319 (7) | 0.0525 (9) | 0.0538 (9) | 0.0109 (6) | 0.0167 (7) | 0.0258 (8) |
C32B | 0.0143 (6) | 0.0250 (7) | 0.0309 (8) | 0.0024 (5) | 0.0075 (5) | 0.0096 (6) |
C33B | 0.0189 (7) | 0.0316 (9) | 0.0541 (12) | 0.0000 (6) | −0.0023 (8) | 0.0058 (8) |
C34B | 0.0204 (7) | 0.0247 (8) | 0.0514 (11) | 0.0059 (6) | 0.0074 (7) | 0.0113 (7) |
C35B | 0.0159 (6) | 0.0191 (6) | 0.0153 (6) | −0.0015 (5) | 0.0011 (5) | 0.0025 (4) |
C36B | 0.0184 (6) | 0.0159 (6) | 0.0221 (6) | 0.0010 (5) | 0.0026 (5) | 0.0026 (5) |
C37B | 0.0170 (6) | 0.0174 (6) | 0.0178 (6) | −0.0021 (5) | 0.0011 (5) | 0.0009 (5) |
C38B | 0.0156 (6) | 0.0165 (6) | 0.0220 (6) | −0.0019 (4) | 0.0022 (5) | 0.0006 (5) |
C39B | 0.0168 (6) | 0.0179 (6) | 0.0192 (6) | 0.0001 (5) | 0.0028 (5) | 0.0008 (5) |
C40B | 0.0174 (6) | 0.0172 (6) | 0.0184 (6) | −0.0023 (5) | 0.0038 (5) | 0.0001 (5) |
C41B | 0.0205 (6) | 0.0221 (6) | 0.0208 (6) | 0.0043 (5) | 0.0094 (5) | 0.0042 (5) |
C42B | 0.0197 (6) | 0.0231 (7) | 0.0203 (6) | 0.0023 (5) | 0.0034 (5) | 0.0001 (5) |
C43B | 0.0190 (6) | 0.0186 (6) | 0.0173 (6) | −0.0003 (5) | 0.0016 (5) | −0.0005 (5) |
Ru1A—C36A | 1.8731 (14) | Ru1B—C36B | 1.8914 (15) |
Ru1A—C37A | 1.9246 (16) | Ru1B—C35B | 1.9292 (14) |
Ru1A—C35A | 1.9386 (16) | Ru1B—C37B | 1.9445 (14) |
Ru1A—As1A | 2.4596 (2) | Ru1B—As1B | 2.4297 (2) |
Ru1A—Ru2A | 2.8781 (2) | Ru1B—Ru3B | 2.8397 (2) |
Ru1A—Ru3A | 2.9093 (2) | Ru1B—Ru2B | 2.8685 (2) |
Ru2A—C39A | 1.8945 (15) | Ru2B—C39B | 1.8876 (15) |
Ru2A—C40A | 1.9225 (15) | Ru2B—C38B | 1.9315 (15) |
Ru2A—C38A | 1.9343 (15) | Ru2B—C40B | 1.9340 (15) |
Ru2A—As2A | 2.4136 (2) | Ru2B—As2B | 2.4223 (2) |
Ru2A—Ru3A | 2.8106 (2) | Ru2B—Ru3B | 2.8200 (2) |
Ru3A—C42A | 1.8891 (15) | Ru3B—C42B | 1.8955 (16) |
Ru3A—C43A | 1.9298 (16) | Ru3B—C41B | 1.9287 (15) |
Ru3A—C41A | 1.9491 (16) | Ru3B—C43B | 1.9359 (15) |
Ru3A—P1A | 2.2926 (4) | Ru3B—P1B | 2.2877 (4) |
As1A—C7A | 1.9494 (14) | As1B—C7B | 1.9404 (14) |
As1A—C1A | 1.9532 (13) | As1B—C1B | 1.9426 (14) |
As1A—C13A | 1.9638 (13) | As1B—C13B | 1.9711 (14) |
As2A—C14A | 1.9363 (14) | As2B—C14B | 1.9369 (14) |
As2A—C20A | 1.9426 (14) | As2B—C20B | 1.9470 (13) |
As2A—C13A | 1.9626 (13) | As2B—C13B | 1.9583 (15) |
P1A—O11A | 1.5839 (11) | P1B—O12B | 1.5860 (11) |
P1A—O10A | 1.5935 (10) | P1B—O11B | 1.5909 (11) |
P1A—O12A | 1.6003 (11) | P1B—O10B | 1.5997 (12) |
O1A—C35A | 1.142 (2) | O1B—C35B | 1.1464 (18) |
O2A—C36A | 1.1505 (18) | O2B—C36B | 1.1469 (18) |
O3A—C37A | 1.149 (2) | O3B—C37B | 1.1384 (18) |
O4A—C38A | 1.1437 (19) | O4B—C38B | 1.1486 (18) |
O5A—C39A | 1.1441 (19) | O5B—C39B | 1.1470 (18) |
O6A—C40A | 1.1489 (19) | O6B—C40B | 1.1452 (18) |
O7A—C41A | 1.136 (2) | O7B—C41B | 1.1426 (18) |
O8A—C42A | 1.1410 (19) | O8B—C42B | 1.143 (2) |
O9A—C43A | 1.145 (2) | O9B—C43B | 1.1406 (18) |
O10A—C26A | 1.4584 (19) | O10B—C26B | 1.456 (2) |
O11A—C29A | 1.4697 (18) | O11B—C29B | 1.4596 (19) |
O12A—C32A | 1.4595 (18) | O12B—C32B | 1.4658 (18) |
C1A—C6A | 1.390 (2) | C1B—C6B | 1.3887 (19) |
C1A—C2A | 1.391 (2) | C1B—C2B | 1.396 (2) |
C2A—C3A | 1.396 (2) | C2B—C3B | 1.390 (2) |
C2A—H2AA | 0.9300 | C2B—H2BA | 0.9300 |
C3A—C4A | 1.383 (2) | C3B—C4B | 1.391 (2) |
C3A—H3AA | 0.9300 | C3B—H3BA | 0.9300 |
C4A—C5A | 1.379 (2) | C4B—C5B | 1.385 (2) |
C4A—H4AA | 0.9300 | C4B—H4BA | 0.9300 |
C5A—C6A | 1.397 (2) | C5B—C6B | 1.395 (2) |
C5A—H5AA | 0.9300 | C5B—H5BA | 0.9300 |
C6A—H6AA | 0.9300 | C6B—H6BA | 0.9300 |
C7A—C8A | 1.392 (2) | C7B—C8B | 1.389 (2) |
C7A—C12A | 1.395 (2) | C7B—C12B | 1.392 (2) |
C8A—C9A | 1.392 (2) | C8B—C9B | 1.393 (2) |
C8A—H8AA | 0.9300 | C8B—H8BA | 0.9300 |
C9A—C10A | 1.383 (2) | C9B—C10B | 1.380 (2) |
C9A—H9AA | 0.9300 | C9B—H9BA | 0.9300 |
C10A—C11A | 1.391 (2) | C10B—C11B | 1.389 (2) |
C10A—H10A | 0.9300 | C10B—H10B | 0.9300 |
C11A—C12A | 1.391 (2) | C11B—C12B | 1.389 (2) |
C11A—H11A | 0.9300 | C11B—H11B | 0.9300 |
C12A—H12A | 0.9300 | C12B—H12B | 0.9300 |
C13A—H13A | 0.9700 | C13B—H13C | 0.9700 |
C13A—H13B | 0.9700 | C13B—H13D | 0.9700 |
C14A—C19A | 1.391 (2) | C14B—C19B | 1.390 (2) |
C14A—C15A | 1.397 (2) | C14B—C15B | 1.396 (2) |
C15A—C16A | 1.388 (2) | C15B—C16B | 1.393 (2) |
C15A—H15A | 0.9300 | C15B—H15B | 0.9300 |
C16A—C17A | 1.387 (2) | C16B—C17B | 1.389 (3) |
C16A—H16A | 0.9300 | C16B—H16B | 0.9300 |
C17A—C18A | 1.385 (2) | C17B—C18B | 1.380 (3) |
C17A—H17A | 0.9300 | C17B—H17B | 0.9300 |
C18A—C19A | 1.393 (2) | C18B—C19B | 1.394 (2) |
C18A—H18A | 0.9300 | C18B—H18B | 0.9300 |
C19A—H19A | 0.9300 | C19B—H19B | 0.9300 |
C20A—C21A | 1.394 (2) | C20B—C21B | 1.392 (2) |
C20A—C25A | 1.394 (2) | C20B—C25B | 1.393 (2) |
C21A—C22A | 1.391 (2) | C21B—C22B | 1.390 (2) |
C21A—H21A | 0.9300 | C21B—H21B | 0.9300 |
C22A—C23A | 1.387 (3) | C22B—C23B | 1.386 (3) |
C22A—H22A | 0.9300 | C22B—H22B | 0.9300 |
C23A—C24A | 1.388 (3) | C23B—C24B | 1.387 (2) |
C23A—H23A | 0.9300 | C23B—H23B | 0.9300 |
C24A—C25A | 1.395 (2) | C24B—C25B | 1.393 (2) |
C24A—H24A | 0.9300 | C24B—H24B | 0.9300 |
C25A—H25A | 0.9300 | C25B—H25B | 0.9300 |
C26A—C28A | 1.506 (2) | C26B—C27B | 1.507 (3) |
C26A—C27A | 1.516 (3) | C26B—C28B | 1.514 (3) |
C26A—H26A | 0.9800 | C26B—H26B | 0.9800 |
C27A—H27A | 0.9600 | C27B—H27D | 0.9600 |
C27A—H27B | 0.9600 | C27B—H27E | 0.9600 |
C27A—H27C | 0.9600 | C27B—H27F | 0.9600 |
C28A—H28A | 0.9600 | C28B—H28D | 0.9600 |
C28A—H28B | 0.9600 | C28B—H28E | 0.9600 |
C28A—H28C | 0.9600 | C28B—H28F | 0.9600 |
C29A—C31A | 1.509 (3) | C29B—C31B | 1.503 (3) |
C29A—C30A | 1.509 (3) | C29B—C30B | 1.509 (3) |
C29A—H29A | 0.9800 | C29B—H29B | 0.9800 |
C30A—H30A | 0.9600 | C30B—H30D | 0.9600 |
C30A—H30B | 0.9600 | C30B—H30E | 0.9600 |
C30A—H30C | 0.9600 | C30B—H30F | 0.9600 |
C31A—H31A | 0.9600 | C31B—H31D | 0.9600 |
C31A—H31B | 0.9600 | C31B—H31E | 0.9600 |
C31A—H31C | 0.9600 | C31B—H31F | 0.9600 |
C32A—C33A | 1.511 (3) | C32B—C33B | 1.499 (3) |
C32A—C34A | 1.511 (3) | C32B—C34B | 1.512 (2) |
C32A—H32A | 0.9800 | C32B—H32B | 0.9800 |
C33A—H33A | 0.9600 | C33B—H33D | 0.9600 |
C33A—H33B | 0.9600 | C33B—H33E | 0.9600 |
C33A—H33C | 0.9600 | C33B—H33F | 0.9600 |
C34A—H34A | 0.9600 | C34B—H34D | 0.9600 |
C34A—H34B | 0.9600 | C34B—H34E | 0.9600 |
C34A—H34C | 0.9600 | C34B—H34F | 0.9600 |
C36A—Ru1A—C37A | 90.69 (6) | C36B—Ru1B—C35B | 95.01 (6) |
C36A—Ru1A—C35A | 87.60 (6) | C36B—Ru1B—C37B | 88.31 (6) |
C37A—Ru1A—C35A | 167.69 (6) | C35B—Ru1B—C37B | 175.52 (6) |
C36A—Ru1A—As1A | 98.87 (4) | C36B—Ru1B—As1B | 102.23 (5) |
C37A—Ru1A—As1A | 93.49 (4) | C35B—Ru1B—As1B | 91.41 (4) |
C35A—Ru1A—As1A | 98.82 (4) | C37B—Ru1B—As1B | 90.82 (4) |
C36A—Ru1A—Ru2A | 168.90 (4) | C36B—Ru1B—Ru3B | 105.09 (5) |
C37A—Ru1A—Ru2A | 83.29 (4) | C35B—Ru1B—Ru3B | 90.48 (4) |
C35A—Ru1A—Ru2A | 96.28 (4) | C37B—Ru1B—Ru3B | 85.74 (4) |
As1A—Ru1A—Ru2A | 90.831 (5) | As1B—Ru1B—Ru3B | 152.336 (6) |
C36A—Ru1A—Ru3A | 112.69 (4) | C36B—Ru1B—Ru2B | 162.49 (5) |
C37A—Ru1A—Ru3A | 89.28 (4) | C35B—Ru1B—Ru2B | 78.46 (4) |
C35A—Ru1A—Ru3A | 80.16 (4) | C37B—Ru1B—Ru2B | 97.50 (4) |
As1A—Ru1A—Ru3A | 148.290 (6) | As1B—Ru1B—Ru2B | 94.217 (5) |
Ru2A—Ru1A—Ru3A | 58.107 (4) | Ru3B—Ru1B—Ru2B | 59.208 (4) |
C39A—Ru2A—C40A | 92.15 (6) | C39B—Ru2B—C38B | 91.23 (6) |
C39A—Ru2A—C38A | 93.44 (6) | C39B—Ru2B—C40B | 91.03 (6) |
C40A—Ru2A—C38A | 173.78 (6) | C38B—Ru2B—C40B | 175.25 (6) |
C39A—Ru2A—As2A | 100.95 (5) | C39B—Ru2B—As2B | 106.85 (4) |
C40A—Ru2A—As2A | 85.40 (4) | C38B—Ru2B—As2B | 89.22 (4) |
C38A—Ru2A—As2A | 96.18 (4) | C40B—Ru2B—As2B | 94.12 (4) |
C39A—Ru2A—Ru3A | 100.87 (5) | C39B—Ru2B—Ru3B | 103.35 (4) |
C40A—Ru2A—Ru3A | 92.12 (4) | C38B—Ru2B—Ru3B | 96.62 (4) |
C38A—Ru2A—Ru3A | 84.17 (4) | C40B—Ru2B—Ru3B | 78.79 (4) |
As2A—Ru2A—Ru3A | 158.123 (6) | As2B—Ru2B—Ru3B | 149.091 (6) |
C39A—Ru2A—Ru1A | 159.78 (5) | C39B—Ru2B—Ru1B | 158.69 (4) |
C40A—Ru2A—Ru1A | 79.49 (4) | C38B—Ru2B—Ru1B | 78.77 (4) |
C38A—Ru2A—Ru1A | 94.34 (4) | C40B—Ru2B—Ru1B | 97.72 (4) |
As2A—Ru2A—Ru1A | 96.728 (5) | As2B—Ru2B—Ru1B | 91.922 (5) |
Ru3A—Ru2A—Ru1A | 61.503 (4) | Ru3B—Ru2B—Ru1B | 59.889 (4) |
C42A—Ru3A—C43A | 91.93 (7) | C42B—Ru3B—C41B | 92.30 (7) |
C42A—Ru3A—C41A | 90.06 (7) | C42B—Ru3B—C43B | 94.97 (6) |
C43A—Ru3A—C41A | 177.11 (6) | C41B—Ru3B—C43B | 172.34 (6) |
C42A—Ru3A—P1A | 99.67 (5) | C42B—Ru3B—P1B | 104.57 (5) |
C43A—Ru3A—P1A | 90.64 (4) | C41B—Ru3B—P1B | 92.60 (4) |
C41A—Ru3A—P1A | 86.96 (5) | C43B—Ru3B—P1B | 87.93 (4) |
C42A—Ru3A—Ru2A | 89.59 (4) | C42B—Ru3B—Ru2B | 94.91 (5) |
C43A—Ru3A—Ru2A | 96.93 (4) | C41B—Ru3B—Ru2B | 97.33 (4) |
C41A—Ru3A—Ru2A | 85.17 (4) | C43B—Ru3B—Ru2B | 79.65 (4) |
P1A—Ru3A—Ru2A | 167.852 (10) | P1B—Ru3B—Ru2B | 157.752 (11) |
C42A—Ru3A—Ru1A | 149.34 (5) | C42B—Ru3B—Ru1B | 154.24 (5) |
C43A—Ru3A—Ru1A | 86.14 (5) | C41B—Ru3B—Ru1B | 82.95 (5) |
C41A—Ru3A—Ru1A | 93.21 (4) | C43B—Ru3B—Ru1B | 89.44 (4) |
P1A—Ru3A—Ru1A | 110.938 (10) | P1B—Ru3B—Ru1B | 100.939 (10) |
Ru2A—Ru3A—Ru1A | 60.390 (4) | Ru2B—Ru3B—Ru1B | 60.904 (4) |
C7A—As1A—C1A | 96.02 (6) | C7B—As1B—C1B | 102.58 (6) |
C7A—As1A—C13A | 103.29 (6) | C7B—As1B—C13B | 101.61 (6) |
C1A—As1A—C13A | 100.05 (6) | C1B—As1B—C13B | 100.11 (6) |
C7A—As1A—Ru1A | 117.13 (4) | C7B—As1B—Ru1B | 115.57 (4) |
C1A—As1A—Ru1A | 120.27 (4) | C1B—As1B—Ru1B | 119.61 (4) |
C13A—As1A—Ru1A | 116.55 (4) | C13B—As1B—Ru1B | 114.69 (4) |
C14A—As2A—C20A | 102.99 (6) | C14B—As2B—C20B | 99.33 (6) |
C14A—As2A—C13A | 101.98 (6) | C14B—As2B—C13B | 104.39 (7) |
C20A—As2A—C13A | 102.67 (6) | C20B—As2B—C13B | 100.91 (6) |
C14A—As2A—Ru2A | 114.16 (4) | C14B—As2B—Ru2B | 119.98 (4) |
C20A—As2A—Ru2A | 122.44 (4) | C20B—As2B—Ru2B | 118.26 (4) |
C13A—As2A—Ru2A | 110.20 (4) | C13B—As2B—Ru2B | 111.40 (4) |
O11A—P1A—O10A | 100.18 (6) | O12B—P1B—O11B | 100.20 (6) |
O11A—P1A—O12A | 107.60 (6) | O12B—P1B—O10B | 106.00 (7) |
O10A—P1A—O12A | 98.03 (6) | O11B—P1B—O10B | 98.48 (7) |
O11A—P1A—Ru3A | 110.48 (4) | O12B—P1B—Ru3B | 109.20 (4) |
O10A—P1A—Ru3A | 117.33 (4) | O11B—P1B—Ru3B | 121.52 (5) |
O12A—P1A—Ru3A | 120.75 (4) | O10B—P1B—Ru3B | 118.99 (5) |
C26A—O10A—P1A | 123.23 (10) | C26B—O10B—P1B | 124.91 (11) |
C29A—O11A—P1A | 125.30 (10) | C29B—O11B—P1B | 123.45 (11) |
C32A—O12A—P1A | 123.41 (9) | C32B—O12B—P1B | 122.81 (9) |
C6A—C1A—C2A | 119.26 (13) | C6B—C1B—C2B | 119.84 (13) |
C6A—C1A—As1A | 121.58 (10) | C6B—C1B—As1B | 120.55 (10) |
C2A—C1A—As1A | 118.78 (11) | C2B—C1B—As1B | 119.44 (10) |
C1A—C2A—C3A | 119.99 (15) | C3B—C2B—C1B | 120.03 (14) |
C1A—C2A—H2AA | 120.0 | C3B—C2B—H2BA | 120.0 |
C3A—C2A—H2AA | 120.0 | C1B—C2B—H2BA | 120.0 |
C4A—C3A—C2A | 120.36 (15) | C2B—C3B—C4B | 119.92 (14) |
C4A—C3A—H3AA | 119.8 | C2B—C3B—H3BA | 120.0 |
C2A—C3A—H3AA | 119.8 | C4B—C3B—H3BA | 120.0 |
C5A—C4A—C3A | 119.95 (14) | C5B—C4B—C3B | 120.13 (14) |
C5A—C4A—H4AA | 120.0 | C5B—C4B—H4BA | 119.9 |
C3A—C4A—H4AA | 120.0 | C3B—C4B—H4BA | 119.9 |
C4A—C5A—C6A | 120.02 (15) | C4B—C5B—C6B | 120.12 (14) |
C4A—C5A—H5AA | 120.0 | C4B—C5B—H5BA | 119.9 |
C6A—C5A—H5AA | 120.0 | C6B—C5B—H5BA | 119.9 |
C1A—C6A—C5A | 120.39 (14) | C1B—C6B—C5B | 119.93 (13) |
C1A—C6A—H6AA | 119.8 | C1B—C6B—H6BA | 120.0 |
C5A—C6A—H6AA | 119.8 | C5B—C6B—H6BA | 120.0 |
C8A—C7A—C12A | 119.20 (13) | C8B—C7B—C12B | 119.57 (13) |
C8A—C7A—As1A | 122.40 (11) | C8B—C7B—As1B | 120.75 (11) |
C12A—C7A—As1A | 118.18 (10) | C12B—C7B—As1B | 119.22 (10) |
C9A—C8A—C7A | 120.24 (14) | C7B—C8B—C9B | 119.95 (15) |
C9A—C8A—H8AA | 119.9 | C7B—C8B—H8BA | 120.0 |
C7A—C8A—H8AA | 119.9 | C9B—C8B—H8BA | 120.0 |
C10A—C9A—C8A | 120.54 (14) | C10B—C9B—C8B | 120.52 (15) |
C10A—C9A—H9AA | 119.7 | C10B—C9B—H9BA | 119.7 |
C8A—C9A—H9AA | 119.7 | C8B—C9B—H9BA | 119.7 |
C9A—C10A—C11A | 119.50 (14) | C9B—C10B—C11B | 119.56 (15) |
C9A—C10A—H10A | 120.3 | C9B—C10B—H10B | 120.2 |
C11A—C10A—H10A | 120.3 | C11B—C10B—H10B | 120.2 |
C12A—C11A—C10A | 120.29 (14) | C12B—C11B—C10B | 120.33 (15) |
C12A—C11A—H11A | 119.9 | C12B—C11B—H11B | 119.8 |
C10A—C11A—H11A | 119.9 | C10B—C11B—H11B | 119.8 |
C11A—C12A—C7A | 120.23 (13) | C11B—C12B—C7B | 120.06 (13) |
C11A—C12A—H12A | 119.9 | C11B—C12B—H12B | 120.0 |
C7A—C12A—H12A | 119.9 | C7B—C12B—H12B | 120.0 |
As2A—C13A—As1A | 110.18 (6) | As2B—C13B—As1B | 111.93 (7) |
As2A—C13A—H13A | 109.6 | As2B—C13B—H13C | 109.2 |
As1A—C13A—H13A | 109.6 | As1B—C13B—H13C | 109.2 |
As2A—C13A—H13B | 109.6 | As2B—C13B—H13D | 109.2 |
As1A—C13A—H13B | 109.6 | As1B—C13B—H13D | 109.2 |
H13A—C13A—H13B | 108.1 | H13C—C13B—H13D | 107.9 |
C19A—C14A—C15A | 119.37 (13) | C19B—C14B—C15B | 119.88 (14) |
C19A—C14A—As2A | 123.08 (10) | C19B—C14B—As2B | 123.26 (12) |
C15A—C14A—As2A | 117.45 (11) | C15B—C14B—As2B | 116.72 (12) |
C16A—C15A—C14A | 120.40 (14) | C16B—C15B—C14B | 120.07 (17) |
C16A—C15A—H15A | 119.8 | C16B—C15B—H15B | 120.0 |
C14A—C15A—H15A | 119.8 | C14B—C15B—H15B | 120.0 |
C17A—C16A—C15A | 119.87 (14) | C17B—C16B—C15B | 119.63 (19) |
C17A—C16A—H16A | 120.1 | C17B—C16B—H16B | 120.2 |
C15A—C16A—H16A | 120.1 | C15B—C16B—H16B | 120.2 |
C18A—C17A—C16A | 120.07 (14) | C18B—C17B—C16B | 120.38 (16) |
C18A—C17A—H17A | 120.0 | C18B—C17B—H17B | 119.8 |
C16A—C17A—H17A | 120.0 | C16B—C17B—H17B | 119.8 |
C17A—C18A—C19A | 120.28 (14) | C17B—C18B—C19B | 120.30 (19) |
C17A—C18A—H18A | 119.9 | C17B—C18B—H18B | 119.8 |
C19A—C18A—H18A | 119.9 | C19B—C18B—H18B | 119.8 |
C14A—C19A—C18A | 120.00 (13) | C14B—C19B—C18B | 119.70 (18) |
C14A—C19A—H19A | 120.0 | C14B—C19B—H19B | 120.1 |
C18A—C19A—H19A | 120.0 | C18B—C19B—H19B | 120.1 |
C21A—C20A—C25A | 119.66 (14) | C21B—C20B—C25B | 119.71 (13) |
C21A—C20A—As2A | 118.43 (11) | C21B—C20B—As2B | 120.78 (11) |
C25A—C20A—As2A | 121.91 (11) | C25B—C20B—As2B | 119.48 (11) |
C22A—C21A—C20A | 120.19 (15) | C22B—C21B—C20B | 120.10 (15) |
C22A—C21A—H21A | 119.9 | C22B—C21B—H21B | 119.9 |
C20A—C21A—H21A | 119.9 | C20B—C21B—H21B | 119.9 |
C23A—C22A—C21A | 120.07 (16) | C23B—C22B—C21B | 120.21 (16) |
C23A—C22A—H22A | 120.0 | C23B—C22B—H22B | 119.9 |
C21A—C22A—H22A | 120.0 | C21B—C22B—H22B | 119.9 |
C24A—C23A—C22A | 120.01 (16) | C22B—C23B—C24B | 119.85 (15) |
C24A—C23A—H23A | 120.0 | C22B—C23B—H23B | 120.1 |
C22A—C23A—H23A | 120.0 | C24B—C23B—H23B | 120.1 |
C23A—C24A—C25A | 120.20 (15) | C23B—C24B—C25B | 120.28 (15) |
C23A—C24A—H24A | 119.9 | C23B—C24B—H24B | 119.9 |
C25A—C24A—H24A | 119.9 | C25B—C24B—H24B | 119.9 |
C20A—C25A—C24A | 119.85 (15) | C24B—C25B—C20B | 119.84 (14) |
C20A—C25A—H25A | 120.1 | C24B—C25B—H25B | 120.1 |
C24A—C25A—H25A | 120.1 | C20B—C25B—H25B | 120.1 |
O10A—C26A—C28A | 106.24 (15) | O10B—C26B—C27B | 108.21 (17) |
O10A—C26A—C27A | 110.15 (14) | O10B—C26B—C28B | 107.62 (17) |
C28A—C26A—C27A | 113.22 (17) | C27B—C26B—C28B | 112.35 (16) |
O10A—C26A—H26A | 109.0 | O10B—C26B—H26B | 109.5 |
C28A—C26A—H26A | 109.0 | C27B—C26B—H26B | 109.5 |
C27A—C26A—H26A | 109.0 | C28B—C26B—H26B | 109.5 |
C26A—C27A—H27A | 109.5 | C26B—C27B—H27D | 109.5 |
C26A—C27A—H27B | 109.5 | C26B—C27B—H27E | 109.5 |
H27A—C27A—H27B | 109.5 | H27D—C27B—H27E | 109.5 |
C26A—C27A—H27C | 109.5 | C26B—C27B—H27F | 109.5 |
H27A—C27A—H27C | 109.5 | H27D—C27B—H27F | 109.5 |
H27B—C27A—H27C | 109.5 | H27E—C27B—H27F | 109.5 |
C26A—C28A—H28A | 109.5 | C26B—C28B—H28D | 109.5 |
C26A—C28A—H28B | 109.5 | C26B—C28B—H28E | 109.5 |
H28A—C28A—H28B | 109.5 | H28D—C28B—H28E | 109.5 |
C26A—C28A—H28C | 109.5 | C26B—C28B—H28F | 109.5 |
H28A—C28A—H28C | 109.5 | H28D—C28B—H28F | 109.5 |
H28B—C28A—H28C | 109.5 | H28E—C28B—H28F | 109.5 |
O11A—C29A—C31A | 106.39 (13) | O11B—C29B—C31B | 108.60 (14) |
O11A—C29A—C30A | 108.61 (14) | O11B—C29B—C30B | 106.35 (17) |
C31A—C29A—C30A | 112.14 (17) | C31B—C29B—C30B | 112.28 (17) |
O11A—C29A—H29A | 109.9 | O11B—C29B—H29B | 109.8 |
C31A—C29A—H29A | 109.9 | C31B—C29B—H29B | 109.8 |
C30A—C29A—H29A | 109.9 | C30B—C29B—H29B | 109.8 |
C29A—C30A—H30A | 109.5 | C29B—C30B—H30D | 109.5 |
C29A—C30A—H30B | 109.5 | C29B—C30B—H30E | 109.5 |
H30A—C30A—H30B | 109.5 | H30D—C30B—H30E | 109.5 |
C29A—C30A—H30C | 109.5 | C29B—C30B—H30F | 109.5 |
H30A—C30A—H30C | 109.5 | H30D—C30B—H30F | 109.5 |
H30B—C30A—H30C | 109.5 | H30E—C30B—H30F | 109.5 |
C29A—C31A—H31A | 109.5 | C29B—C31B—H31D | 109.5 |
C29A—C31A—H31B | 109.5 | C29B—C31B—H31E | 109.5 |
H31A—C31A—H31B | 109.5 | H31D—C31B—H31E | 109.5 |
C29A—C31A—H31C | 109.5 | C29B—C31B—H31F | 109.5 |
H31A—C31A—H31C | 109.5 | H31D—C31B—H31F | 109.5 |
H31B—C31A—H31C | 109.5 | H31E—C31B—H31F | 109.5 |
O12A—C32A—C33A | 108.69 (13) | O12B—C32B—C33B | 109.34 (14) |
O12A—C32A—C34A | 106.76 (13) | O12B—C32B—C34B | 106.40 (12) |
C33A—C32A—C34A | 113.43 (15) | C33B—C32B—C34B | 112.50 (15) |
O12A—C32A—H32A | 109.3 | O12B—C32B—H32B | 109.5 |
C33A—C32A—H32A | 109.3 | C33B—C32B—H32B | 109.5 |
C34A—C32A—H32A | 109.3 | C34B—C32B—H32B | 109.5 |
C32A—C33A—H33A | 109.5 | C32B—C33B—H33D | 109.5 |
C32A—C33A—H33B | 109.5 | C32B—C33B—H33E | 109.5 |
H33A—C33A—H33B | 109.5 | H33D—C33B—H33E | 109.5 |
C32A—C33A—H33C | 109.5 | C32B—C33B—H33F | 109.5 |
H33A—C33A—H33C | 109.5 | H33D—C33B—H33F | 109.5 |
H33B—C33A—H33C | 109.5 | H33E—C33B—H33F | 109.5 |
C32A—C34A—H34A | 109.5 | C32B—C34B—H34D | 109.5 |
C32A—C34A—H34B | 109.5 | C32B—C34B—H34E | 109.5 |
H34A—C34A—H34B | 109.5 | H34D—C34B—H34E | 109.5 |
C32A—C34A—H34C | 109.5 | C32B—C34B—H34F | 109.5 |
H34A—C34A—H34C | 109.5 | H34D—C34B—H34F | 109.5 |
H34B—C34A—H34C | 109.5 | H34E—C34B—H34F | 109.5 |
O1A—C35A—Ru1A | 171.58 (13) | O1B—C35B—Ru1B | 174.05 (13) |
O2A—C36A—Ru1A | 177.84 (13) | O2B—C36B—Ru1B | 179.52 (15) |
O3A—C37A—Ru1A | 172.82 (13) | O3B—C37B—Ru1B | 173.51 (13) |
O4A—C38A—Ru2A | 175.30 (13) | O4B—C38B—Ru2B | 173.16 (13) |
O5A—C39A—Ru2A | 176.23 (15) | O5B—C39B—Ru2B | 176.98 (13) |
O6A—C40A—Ru2A | 172.77 (13) | O6B—C40B—Ru2B | 173.57 (13) |
O7A—C41A—Ru3A | 173.30 (13) | O7B—C41B—Ru3B | 174.79 (14) |
O8A—C42A—Ru3A | 178.35 (14) | O8B—C42B—Ru3B | 175.89 (14) |
O9A—C43A—Ru3A | 172.86 (13) | O9B—C43B—Ru3B | 174.57 (13) |
C36A—Ru1A—Ru2A—C39A | 67.2 (3) | C36B—Ru1B—Ru2B—C39B | −69.33 (19) |
C37A—Ru1A—Ru2A—C39A | 124.74 (14) | C35B—Ru1B—Ru2B—C39B | −138.77 (13) |
C35A—Ru1A—Ru2A—C39A | −42.87 (14) | C37B—Ru1B—Ru2B—C39B | 39.26 (13) |
As1A—Ru1A—Ru2A—C39A | −141.84 (14) | As1B—Ru1B—Ru2B—C39B | 130.64 (12) |
Ru3A—Ru1A—Ru2A—C39A | 31.40 (14) | Ru3B—Ru1B—Ru2B—C39B | −41.20 (12) |
C36A—Ru1A—Ru2A—C40A | 134.0 (2) | C36B—Ru1B—Ru2B—C38B | −132.67 (15) |
C37A—Ru1A—Ru2A—C40A | −168.41 (6) | C35B—Ru1B—Ru2B—C38B | 157.89 (6) |
C35A—Ru1A—Ru2A—C40A | 23.98 (6) | C37B—Ru1B—Ru2B—C38B | −24.08 (6) |
As1A—Ru1A—Ru2A—C40A | −74.99 (4) | As1B—Ru1B—Ru2B—C38B | 67.31 (5) |
Ru3A—Ru1A—Ru2A—C40A | 98.25 (4) | Ru3B—Ru1B—Ru2B—C38B | −104.54 (5) |
C36A—Ru1A—Ru2A—C38A | −45.2 (2) | C36B—Ru1B—Ru2B—C40B | 44.09 (15) |
C37A—Ru1A—Ru2A—C38A | 12.38 (6) | C35B—Ru1B—Ru2B—C40B | −25.35 (6) |
C35A—Ru1A—Ru2A—C38A | −155.23 (6) | C37B—Ru1B—Ru2B—C40B | 152.67 (6) |
As1A—Ru1A—Ru2A—C38A | 105.80 (4) | As1B—Ru1B—Ru2B—C40B | −115.94 (4) |
Ru3A—Ru1A—Ru2A—C38A | −80.96 (4) | Ru3B—Ru1B—Ru2B—C40B | 72.22 (4) |
C36A—Ru1A—Ru2A—As2A | −142.0 (2) | C36B—Ru1B—Ru2B—As2B | 138.51 (15) |
C37A—Ru1A—Ru2A—As2A | −84.37 (4) | C35B—Ru1B—Ru2B—As2B | 69.07 (4) |
C35A—Ru1A—Ru2A—As2A | 108.01 (4) | C37B—Ru1B—Ru2B—As2B | −112.91 (4) |
As1A—Ru1A—Ru2A—As2A | 9.043 (7) | As1B—Ru1B—Ru2B—As2B | −21.517 (6) |
Ru3A—Ru1A—Ru2A—As2A | −177.713 (6) | Ru3B—Ru1B—Ru2B—As2B | 166.638 (6) |
C36A—Ru1A—Ru2A—Ru3A | 35.8 (2) | C36B—Ru1B—Ru2B—Ru3B | −28.13 (15) |
C37A—Ru1A—Ru2A—Ru3A | 93.34 (4) | C35B—Ru1B—Ru2B—Ru3B | −97.57 (4) |
C35A—Ru1A—Ru2A—Ru3A | −74.27 (4) | C37B—Ru1B—Ru2B—Ru3B | 80.46 (4) |
As1A—Ru1A—Ru2A—Ru3A | −173.243 (6) | As1B—Ru1B—Ru2B—Ru3B | 171.845 (6) |
C39A—Ru2A—Ru3A—C42A | 17.12 (7) | C39B—Ru2B—Ru3B—C42B | −23.60 (7) |
C40A—Ru2A—Ru3A—C42A | 109.72 (7) | C38B—Ru2B—Ru3B—C42B | −116.45 (6) |
C38A—Ru2A—Ru3A—C42A | −75.28 (7) | C40B—Ru2B—Ru3B—C42B | 64.79 (6) |
As2A—Ru2A—Ru3A—C42A | −167.34 (5) | As2B—Ru2B—Ru3B—C42B | 143.93 (5) |
Ru1A—Ru2A—Ru3A—C42A | −173.44 (5) | Ru1B—Ru2B—Ru3B—C42B | 170.65 (5) |
C39A—Ru2A—Ru3A—C43A | 109.02 (7) | C39B—Ru2B—Ru3B—C41B | −116.55 (7) |
C40A—Ru2A—Ru3A—C43A | −158.38 (6) | C38B—Ru2B—Ru3B—C41B | 150.60 (7) |
C38A—Ru2A—Ru3A—C43A | 16.62 (6) | C40B—Ru2B—Ru3B—C41B | −28.17 (7) |
As2A—Ru2A—Ru3A—C43A | −75.44 (5) | As2B—Ru2B—Ru3B—C41B | 50.97 (5) |
Ru1A—Ru2A—Ru3A—C43A | −81.54 (5) | Ru1B—Ru2B—Ru3B—C41B | 77.69 (5) |
C39A—Ru2A—Ru3A—C41A | −72.97 (7) | C39B—Ru2B—Ru3B—C43B | 70.57 (6) |
C40A—Ru2A—Ru3A—C41A | 19.63 (6) | C38B—Ru2B—Ru3B—C43B | −22.28 (6) |
C38A—Ru2A—Ru3A—C41A | −165.37 (6) | C40B—Ru2B—Ru3B—C43B | 158.96 (6) |
As2A—Ru2A—Ru3A—C41A | 102.57 (5) | As2B—Ru2B—Ru3B—C43B | −121.90 (5) |
Ru1A—Ru2A—Ru3A—C41A | 96.47 (4) | Ru1B—Ru2B—Ru3B—C43B | −95.18 (4) |
C39A—Ru2A—Ru3A—P1A | −122.82 (7) | C39B—Ru2B—Ru3B—P1B | 127.65 (5) |
C40A—Ru2A—Ru3A—P1A | −30.21 (7) | C38B—Ru2B—Ru3B—P1B | 34.80 (5) |
C38A—Ru2A—Ru3A—P1A | 144.78 (6) | C40B—Ru2B—Ru3B—P1B | −143.96 (5) |
As2A—Ru2A—Ru3A—P1A | 52.72 (6) | As2B—Ru2B—Ru3B—P1B | −64.83 (3) |
Ru1A—Ru2A—Ru3A—P1A | 46.62 (5) | Ru1B—Ru2B—Ru3B—P1B | −38.11 (3) |
C39A—Ru2A—Ru3A—Ru1A | −169.44 (5) | C39B—Ru2B—Ru3B—Ru1B | 165.76 (5) |
C40A—Ru2A—Ru3A—Ru1A | −76.83 (4) | C38B—Ru2B—Ru3B—Ru1B | 72.91 (4) |
C38A—Ru2A—Ru3A—Ru1A | 98.16 (4) | C40B—Ru2B—Ru3B—Ru1B | −105.85 (4) |
As2A—Ru2A—Ru3A—Ru1A | 6.104 (16) | As2B—Ru2B—Ru3B—Ru1B | −26.720 (11) |
C36A—Ru1A—Ru3A—C42A | −160.05 (11) | C36B—Ru1B—Ru3B—C42B | 149.67 (12) |
C37A—Ru1A—Ru3A—C42A | −69.60 (11) | C35B—Ru1B—Ru3B—C42B | 54.35 (12) |
C35A—Ru1A—Ru3A—C42A | 116.76 (11) | C37B—Ru1B—Ru3B—C42B | −123.23 (12) |
As1A—Ru1A—Ru3A—C42A | 25.88 (10) | As1B—Ru1B—Ru3B—C42B | −39.62 (11) |
Ru2A—Ru1A—Ru3A—C42A | 12.94 (10) | Ru2B—Ru1B—Ru3B—C42B | −21.88 (11) |
C36A—Ru1A—Ru3A—C43A | −72.77 (7) | C36B—Ru1B—Ru3B—C41B | 69.08 (6) |
C37A—Ru1A—Ru3A—C43A | 17.68 (6) | C35B—Ru1B—Ru3B—C41B | −26.24 (6) |
C35A—Ru1A—Ru3A—C43A | −155.96 (6) | C37B—Ru1B—Ru3B—C41B | 156.18 (6) |
As1A—Ru1A—Ru3A—C43A | 113.15 (5) | As1B—Ru1B—Ru3B—C41B | −120.21 (5) |
Ru2A—Ru1A—Ru3A—C43A | 100.22 (4) | Ru2B—Ru1B—Ru3B—C41B | −102.47 (4) |
C36A—Ru1A—Ru3A—C41A | 104.41 (7) | C36B—Ru1B—Ru3B—C43B | −110.00 (6) |
C37A—Ru1A—Ru3A—C41A | −165.14 (6) | C35B—Ru1B—Ru3B—C43B | 154.68 (6) |
C35A—Ru1A—Ru3A—C41A | 21.22 (6) | C37B—Ru1B—Ru3B—C43B | −22.91 (6) |
As1A—Ru1A—Ru3A—C41A | −69.67 (5) | As1B—Ru1B—Ru3B—C43B | 60.71 (5) |
Ru2A—Ru1A—Ru3A—C41A | −82.60 (5) | Ru2B—Ru1B—Ru3B—C43B | 78.45 (4) |
C36A—Ru1A—Ru3A—P1A | 16.43 (5) | C36B—Ru1B—Ru3B—P1B | −22.22 (5) |
C37A—Ru1A—Ru3A—P1A | 106.88 (4) | C35B—Ru1B—Ru3B—P1B | −117.54 (4) |
C35A—Ru1A—Ru3A—P1A | −66.76 (4) | C37B—Ru1B—Ru3B—P1B | 64.88 (4) |
As1A—Ru1A—Ru3A—P1A | −157.642 (14) | As1B—Ru1B—Ru3B—P1B | 148.491 (15) |
Ru2A—Ru1A—Ru3A—P1A | −170.574 (12) | Ru2B—Ru1B—Ru3B—P1B | 166.232 (10) |
C36A—Ru1A—Ru3A—Ru2A | −172.99 (5) | C36B—Ru1B—Ru3B—Ru2B | 171.55 (4) |
C37A—Ru1A—Ru3A—Ru2A | −82.55 (4) | C35B—Ru1B—Ru3B—Ru2B | 76.23 (4) |
C35A—Ru1A—Ru3A—Ru2A | 103.81 (4) | C37B—Ru1B—Ru3B—Ru2B | −101.35 (4) |
As1A—Ru1A—Ru3A—Ru2A | 12.933 (11) | As1B—Ru1B—Ru3B—Ru2B | −17.741 (12) |
C36A—Ru1A—As1A—C7A | 64.92 (7) | C36B—Ru1B—As1B—C7B | 72.03 (6) |
C37A—Ru1A—As1A—C7A | −26.33 (6) | C35B—Ru1B—As1B—C7B | 167.47 (6) |
C35A—Ru1A—As1A—C7A | 153.85 (6) | C37B—Ru1B—As1B—C7B | −16.41 (6) |
Ru2A—Ru1A—As1A—C7A | −109.66 (5) | Ru3B—Ru1B—As1B—C7B | −98.78 (5) |
Ru3A—Ru1A—As1A—C7A | −120.61 (5) | Ru2B—Ru1B—As1B—C7B | −114.00 (5) |
C36A—Ru1A—As1A—C1A | −50.90 (7) | C36B—Ru1B—As1B—C1B | −51.31 (7) |
C37A—Ru1A—As1A—C1A | −142.14 (6) | C35B—Ru1B—As1B—C1B | 44.12 (6) |
C35A—Ru1A—As1A—C1A | 38.04 (6) | C37B—Ru1B—As1B—C1B | −139.76 (6) |
Ru2A—Ru1A—As1A—C1A | 134.53 (5) | Ru3B—Ru1B—As1B—C1B | 137.87 (5) |
Ru3A—Ru1A—As1A—C1A | 123.57 (5) | Ru2B—Ru1B—As1B—C1B | 122.65 (5) |
C36A—Ru1A—As1A—C13A | −172.07 (7) | C36B—Ru1B—As1B—C13B | −170.23 (7) |
C37A—Ru1A—As1A—C13A | 96.68 (6) | C35B—Ru1B—As1B—C13B | −74.79 (6) |
C35A—Ru1A—As1A—C13A | −83.14 (6) | C37B—Ru1B—As1B—C13B | 101.32 (6) |
Ru2A—Ru1A—As1A—C13A | 13.35 (5) | Ru3B—Ru1B—As1B—C13B | 18.95 (5) |
Ru3A—Ru1A—As1A—C13A | 2.39 (5) | Ru2B—Ru1B—As1B—C13B | 3.74 (5) |
C39A—Ru2A—As2A—C14A | 25.81 (7) | C39B—Ru2B—As2B—C14B | 106.20 (7) |
C40A—Ru2A—As2A—C14A | −65.50 (6) | C38B—Ru2B—As2B—C14B | −162.75 (7) |
C38A—Ru2A—As2A—C14A | 120.54 (6) | C40B—Ru2B—As2B—C14B | 13.86 (7) |
Ru3A—Ru2A—As2A—C14A | −149.73 (5) | Ru3B—Ru2B—As2B—C14B | −61.11 (6) |
Ru1A—Ru2A—As2A—C14A | −144.33 (5) | Ru1B—Ru2B—As2B—C14B | −84.02 (5) |
C39A—Ru2A—As2A—C20A | −99.44 (7) | C39B—Ru2B—As2B—C20B | −15.31 (7) |
C40A—Ru2A—As2A—C20A | 169.26 (6) | C38B—Ru2B—As2B—C20B | 75.74 (6) |
C38A—Ru2A—As2A—C20A | −4.70 (6) | C40B—Ru2B—As2B—C20B | −107.64 (6) |
Ru3A—Ru2A—As2A—C20A | 85.03 (5) | Ru3B—Ru2B—As2B—C20B | 177.38 (5) |
Ru1A—Ru2A—As2A—C20A | 90.43 (5) | Ru1B—Ru2B—As2B—C20B | 154.48 (5) |
C39A—Ru2A—As2A—C13A | 139.85 (7) | C39B—Ru2B—As2B—C13B | −131.51 (6) |
C40A—Ru2A—As2A—C13A | 48.54 (6) | C38B—Ru2B—As2B—C13B | −40.46 (6) |
C38A—Ru2A—As2A—C13A | −125.42 (6) | C40B—Ru2B—As2B—C13B | 136.16 (6) |
Ru3A—Ru2A—As2A—C13A | −35.69 (5) | Ru3B—Ru2B—As2B—C13B | 61.18 (5) |
Ru1A—Ru2A—As2A—C13A | −30.29 (5) | Ru1B—Ru2B—As2B—C13B | 38.28 (5) |
C42A—Ru3A—P1A—O11A | −116.15 (7) | C42B—Ru3B—P1B—O12B | 127.58 (7) |
C43A—Ru3A—P1A—O11A | 151.78 (6) | C41B—Ru3B—P1B—O12B | −139.36 (7) |
C41A—Ru3A—P1A—O11A | −26.61 (6) | C43B—Ru3B—P1B—O12B | 32.98 (7) |
Ru2A—Ru3A—P1A—O11A | 23.09 (8) | Ru2B—Ru3B—P1B—O12B | −22.73 (6) |
Ru1A—Ru3A—P1A—O11A | 65.67 (5) | Ru1B—Ru3B—P1B—O12B | −56.05 (5) |
C42A—Ru3A—P1A—O10A | −2.23 (7) | C42B—Ru3B—P1B—O11B | −116.72 (7) |
C43A—Ru3A—P1A—O10A | −94.30 (7) | C41B—Ru3B—P1B—O11B | −23.67 (7) |
C41A—Ru3A—P1A—O10A | 87.30 (7) | C43B—Ru3B—P1B—O11B | 148.68 (7) |
Ru2A—Ru3A—P1A—O10A | 137.01 (6) | Ru2B—Ru3B—P1B—O11B | 92.97 (6) |
Ru1A—Ru3A—P1A—O10A | 179.58 (5) | Ru1B—Ru3B—P1B—O11B | 59.65 (5) |
C42A—Ru3A—P1A—O12A | 117.14 (7) | C42B—Ru3B—P1B—O10B | 5.80 (8) |
C43A—Ru3A—P1A—O12A | 25.07 (7) | C41B—Ru3B—P1B—O10B | 98.85 (7) |
C41A—Ru3A—P1A—O12A | −153.32 (7) | C43B—Ru3B—P1B—O10B | −88.80 (7) |
Ru2A—Ru3A—P1A—O12A | −103.62 (7) | Ru2B—Ru3B—P1B—O10B | −144.51 (6) |
Ru1A—Ru3A—P1A—O12A | −61.04 (5) | Ru1B—Ru3B—P1B—O10B | −177.83 (6) |
O11A—P1A—O10A—C26A | 179.62 (11) | O12B—P1B—O10B—C26B | −89.98 (14) |
O12A—P1A—O10A—C26A | −70.77 (12) | O11B—P1B—O10B—C26B | 166.78 (13) |
Ru3A—P1A—O10A—C26A | 60.09 (12) | Ru3B—P1B—O10B—C26B | 33.39 (15) |
O10A—P1A—O11A—C29A | 33.16 (13) | O12B—P1B—O11B—C29B | −166.45 (12) |
O12A—P1A—O11A—C29A | −68.72 (12) | O10B—P1B—O11B—C29B | −58.39 (13) |
Ru3A—P1A—O11A—C29A | 157.56 (10) | Ru3B—P1B—O11B—C29B | 73.39 (13) |
O11A—P1A—O12A—C32A | −79.79 (12) | O11B—P1B—O12B—C32B | 50.58 (13) |
O10A—P1A—O12A—C32A | 176.79 (12) | O10B—P1B—O12B—C32B | −51.39 (13) |
Ru3A—P1A—O12A—C32A | 48.22 (13) | Ru3B—P1B—O12B—C32B | 179.28 (11) |
C7A—As1A—C1A—C6A | 83.82 (13) | C7B—As1B—C1B—C6B | −132.60 (12) |
C13A—As1A—C1A—C6A | −20.86 (14) | C13B—As1B—C1B—C6B | 122.97 (12) |
Ru1A—As1A—C1A—C6A | −149.85 (11) | Ru1B—As1B—C1B—C6B | −3.14 (13) |
C7A—As1A—C1A—C2A | −89.09 (12) | C7B—As1B—C1B—C2B | 52.11 (13) |
C13A—As1A—C1A—C2A | 166.23 (12) | C13B—As1B—C1B—C2B | −52.32 (13) |
Ru1A—As1A—C1A—C2A | 37.25 (13) | Ru1B—As1B—C1B—C2B | −178.43 (10) |
C6A—C1A—C2A—C3A | −0.7 (2) | C6B—C1B—C2B—C3B | −1.5 (2) |
As1A—C1A—C2A—C3A | 172.34 (13) | As1B—C1B—C2B—C3B | 173.85 (12) |
C1A—C2A—C3A—C4A | 0.9 (3) | C1B—C2B—C3B—C4B | 0.0 (2) |
C2A—C3A—C4A—C5A | 0.2 (3) | C2B—C3B—C4B—C5B | 1.5 (2) |
C3A—C4A—C5A—C6A | −1.4 (3) | C3B—C4B—C5B—C6B | −1.4 (2) |
C2A—C1A—C6A—C5A | −0.5 (2) | C2B—C1B—C6B—C5B | 1.6 (2) |
As1A—C1A—C6A—C5A | −173.35 (13) | As1B—C1B—C6B—C5B | −173.71 (11) |
C4A—C5A—C6A—C1A | 1.6 (3) | C4B—C5B—C6B—C1B | −0.1 (2) |
C1A—As1A—C7A—C8A | −75.93 (13) | C1B—As1B—C7B—C8B | −145.53 (14) |
C13A—As1A—C7A—C8A | 25.92 (14) | C13B—As1B—C7B—C8B | −42.27 (15) |
Ru1A—As1A—C7A—C8A | 155.49 (11) | Ru1B—As1B—C7B—C8B | 82.55 (14) |
C1A—As1A—C7A—C12A | 98.57 (12) | C1B—As1B—C7B—C12B | 42.33 (13) |
C13A—As1A—C7A—C12A | −159.59 (11) | C13B—As1B—C7B—C12B | 145.60 (12) |
Ru1A—As1A—C7A—C12A | −30.01 (13) | Ru1B—As1B—C7B—C12B | −89.59 (12) |
C12A—C7A—C8A—C9A | 0.3 (2) | C12B—C7B—C8B—C9B | −1.0 (3) |
As1A—C7A—C8A—C9A | 174.73 (12) | As1B—C7B—C8B—C9B | −173.15 (15) |
C7A—C8A—C9A—C10A | −0.1 (3) | C7B—C8B—C9B—C10B | 0.3 (3) |
C8A—C9A—C10A—C11A | −0.2 (3) | C8B—C9B—C10B—C11B | 0.6 (3) |
C9A—C10A—C11A—C12A | 0.3 (2) | C9B—C10B—C11B—C12B | −0.9 (3) |
C10A—C11A—C12A—C7A | −0.1 (2) | C10B—C11B—C12B—C7B | 0.1 (2) |
C8A—C7A—C12A—C11A | −0.2 (2) | C8B—C7B—C12B—C11B | 0.8 (2) |
As1A—C7A—C12A—C11A | −174.87 (12) | As1B—C7B—C12B—C11B | 173.03 (12) |
C14A—As2A—C13A—As1A | 165.10 (7) | C14B—As2B—C13B—As1B | 88.38 (8) |
C20A—As2A—C13A—As1A | −88.44 (8) | C20B—As2B—C13B—As1B | −168.92 (7) |
Ru2A—As2A—C13A—As1A | 43.52 (7) | Ru2B—As2B—C13B—As1B | −42.52 (8) |
C7A—As1A—C13A—As2A | 93.09 (7) | C7B—As1B—C13B—As2B | 147.51 (7) |
C1A—As1A—C13A—As2A | −168.20 (7) | C1B—As1B—C13B—As2B | −107.27 (8) |
Ru1A—As1A—C13A—As2A | −36.83 (8) | Ru1B—As1B—C13B—As2B | 22.10 (9) |
C20A—As2A—C14A—C19A | −108.23 (13) | C20B—As2B—C14B—C19B | −107.22 (13) |
C13A—As2A—C14A—C19A | −2.02 (13) | C13B—As2B—C14B—C19B | −3.33 (14) |
Ru2A—As2A—C14A—C19A | 116.80 (11) | Ru2B—As2B—C14B—C19B | 122.33 (12) |
C20A—As2A—C14A—C15A | 75.49 (12) | C20B—As2B—C14B—C15B | 68.55 (12) |
C13A—As2A—C14A—C15A | −178.31 (12) | C13B—As2B—C14B—C15B | 172.44 (11) |
Ru2A—As2A—C14A—C15A | −59.49 (12) | Ru2B—As2B—C14B—C15B | −61.90 (12) |
C19A—C14A—C15A—C16A | 1.1 (2) | C19B—C14B—C15B—C16B | 1.5 (2) |
As2A—C14A—C15A—C16A | 177.56 (13) | As2B—C14B—C15B—C16B | −174.46 (13) |
C14A—C15A—C16A—C17A | −0.7 (3) | C14B—C15B—C16B—C17B | −1.0 (3) |
C15A—C16A—C17A—C18A | −0.3 (3) | C15B—C16B—C17B—C18B | −0.5 (3) |
C16A—C17A—C18A—C19A | 0.8 (2) | C16B—C17B—C18B—C19B | 1.5 (3) |
C15A—C14A—C19A—C18A | −0.6 (2) | C15B—C14B—C19B—C18B | −0.5 (2) |
As2A—C14A—C19A—C18A | −176.79 (11) | As2B—C14B—C19B—C18B | 175.18 (13) |
C17A—C18A—C19A—C14A | −0.4 (2) | C17B—C18B—C19B—C14B | −1.0 (3) |
C14A—As2A—C20A—C21A | −174.38 (11) | C14B—As2B—C20B—C21B | 18.73 (14) |
C13A—As2A—C20A—C21A | 79.94 (12) | C13B—As2B—C20B—C21B | −88.01 (14) |
Ru2A—As2A—C20A—C21A | −44.27 (13) | Ru2B—As2B—C20B—C21B | 150.28 (12) |
C14A—As2A—C20A—C25A | 5.91 (13) | C14B—As2B—C20B—C25B | −159.07 (12) |
C13A—As2A—C20A—C25A | −99.77 (12) | C13B—As2B—C20B—C25B | 94.18 (13) |
Ru2A—As2A—C20A—C25A | 136.02 (10) | Ru2B—As2B—C20B—C25B | −27.52 (14) |
C25A—C20A—C21A—C22A | 1.2 (2) | C25B—C20B—C21B—C22B | 0.5 (3) |
As2A—C20A—C21A—C22A | −178.53 (12) | As2B—C20B—C21B—C22B | −177.27 (14) |
C20A—C21A—C22A—C23A | −1.3 (2) | C20B—C21B—C22B—C23B | −0.3 (3) |
C21A—C22A—C23A—C24A | 0.3 (3) | C21B—C22B—C23B—C24B | −0.4 (3) |
C22A—C23A—C24A—C25A | 0.8 (3) | C22B—C23B—C24B—C25B | 0.9 (3) |
C21A—C20A—C25A—C24A | −0.1 (2) | C23B—C24B—C25B—C20B | −0.7 (3) |
As2A—C20A—C25A—C24A | 179.66 (12) | C21B—C20B—C25B—C24B | 0.0 (2) |
C23A—C24A—C25A—C20A | −1.0 (2) | As2B—C20B—C25B—C24B | 177.84 (13) |
P1A—O10A—C26A—C28A | −147.83 (13) | P1B—O10B—C26B—C27B | 116.73 (17) |
P1A—O10A—C26A—C27A | 89.19 (18) | P1B—O10B—C26B—C28B | −121.64 (15) |
P1A—O11A—C29A—C31A | 143.59 (14) | P1B—O11B—C29B—C31B | 101.12 (17) |
P1A—O11A—C29A—C30A | −95.51 (17) | P1B—O11B—C29B—C30B | −137.85 (13) |
P1A—O12A—C32A—C33A | 90.92 (14) | P1B—O12B—C32B—C33B | −98.61 (15) |
P1A—O12A—C32A—C34A | −146.38 (12) | P1B—O12B—C32B—C34B | 139.65 (13) |
C36A—Ru1A—C35A—O1A | 7.7 (9) | C36B—Ru1B—C35B—O1B | 48.2 (12) |
C37A—Ru1A—C35A—O1A | 89.9 (10) | C37B—Ru1B—C35B—O1B | −174.1 (10) |
As1A—Ru1A—C35A—O1A | −90.9 (9) | As1B—Ru1B—C35B—O1B | −54.2 (12) |
Ru2A—Ru1A—C35A—O1A | 177 (100) | Ru3B—Ru1B—C35B—O1B | 153.4 (12) |
Ru3A—Ru1A—C35A—O1A | 121.2 (9) | Ru2B—Ru1B—C35B—O1B | −148.2 (12) |
C37A—Ru1A—C36A—O2A | 70 (4) | C35B—Ru1B—C36B—O2B | −100 (15) |
C35A—Ru1A—C36A—O2A | −122 (4) | C37B—Ru1B—C36B—O2B | 83 (15) |
As1A—Ru1A—C36A—O2A | −24 (4) | As1B—Ru1B—C36B—O2B | −8 (15) |
Ru2A—Ru1A—C36A—O2A | 127 (4) | Ru3B—Ru1B—C36B—O2B | 168 (100) |
Ru3A—Ru1A—C36A—O2A | 160 (4) | Ru2B—Ru1B—C36B—O2B | −167 (100) |
C36A—Ru1A—C37A—O3A | −21.1 (11) | C36B—Ru1B—C37B—O3B | −42.7 (12) |
C35A—Ru1A—C37A—O3A | −103.0 (11) | C35B—Ru1B—C37B—O3B | 179 (100) |
As1A—Ru1A—C37A—O3A | 77.8 (11) | As1B—Ru1B—C37B—O3B | 59.5 (12) |
Ru2A—Ru1A—C37A—O3A | 168.2 (11) | Ru3B—Ru1B—C37B—O3B | −148.0 (12) |
Ru3A—Ru1A—C37A—O3A | −133.8 (11) | Ru2B—Ru1B—C37B—O3B | 153.9 (12) |
C39A—Ru2A—C38A—O4A | 42.3 (16) | C39B—Ru2B—C38B—O4B | 49.3 (12) |
C40A—Ru2A—C38A—O4A | −163.5 (14) | C40B—Ru2B—C38B—O4B | 167.8 (9) |
As2A—Ru2A—C38A—O4A | −59.1 (16) | As2B—Ru2B—C38B—O4B | −57.5 (12) |
Ru3A—Ru2A—C38A—O4A | 142.9 (16) | Ru3B—Ru2B—C38B—O4B | 152.9 (11) |
Ru1A—Ru2A—C38A—O4A | −156.3 (16) | Ru1B—Ru2B—C38B—O4B | −149.6 (12) |
C40A—Ru2A—C39A—O5A | −6 (2) | C38B—Ru2B—C39B—O5B | 34 (3) |
C38A—Ru2A—C39A—O5A | 172 (2) | C40B—Ru2B—C39B—O5B | −142 (3) |
As2A—Ru2A—C39A—O5A | −91 (2) | As2B—Ru2B—C39B—O5B | 124 (3) |
Ru3A—Ru2A—C39A—O5A | 87 (2) | Ru3B—Ru2B—C39B—O5B | −63 (3) |
Ru1A—Ru2A—C39A—O5A | 59 (2) | Ru1B—Ru2B—C39B—O5B | −27 (3) |
C39A—Ru2A—C40A—O6A | −62.4 (11) | C39B—Ru2B—C40B—O6B | −35.6 (12) |
C38A—Ru2A—C40A—O6A | 143.4 (9) | C38B—Ru2B—C40B—O6B | −154.0 (10) |
As2A—Ru2A—C40A—O6A | 38.4 (11) | As2B—Ru2B—C40B—O6B | 71.4 (12) |
Ru3A—Ru2A—C40A—O6A | −163.4 (11) | Ru3B—Ru2B—C40B—O6B | −139.0 (12) |
Ru1A—Ru2A—C40A—O6A | 136.1 (11) | Ru1B—Ru2B—C40B—O6B | 163.9 (12) |
C42A—Ru3A—C41A—O7A | 46.8 (12) | C42B—Ru3B—C41B—O7B | 44.8 (16) |
C43A—Ru3A—C41A—O7A | −86.7 (18) | C43B—Ru3B—C41B—O7B | −153.8 (14) |
P1A—Ru3A—C41A—O7A | −52.9 (12) | P1B—Ru3B—C41B—O7B | −59.9 (16) |
Ru2A—Ru3A—C41A—O7A | 136.4 (12) | Ru2B—Ru3B—C41B—O7B | 140.0 (16) |
Ru1A—Ru3A—C41A—O7A | −163.7 (12) | Ru1B—Ru3B—C41B—O7B | −160.7 (16) |
C43A—Ru3A—C42A—O8A | −106 (6) | C41B—Ru3B—C42B—O8B | 59 (2) |
C41A—Ru3A—C42A—O8A | 76 (6) | C43B—Ru3B—C42B—O8B | −119 (2) |
P1A—Ru3A—C42A—O8A | 163 (6) | P1B—Ru3B—C42B—O8B | 152 (2) |
Ru2A—Ru3A—C42A—O8A | −9 (6) | Ru2B—Ru3B—C42B—O8B | −39 (2) |
Ru1A—Ru3A—C42A—O8A | −21 (6) | Ru1B—Ru3B—C42B—O8B | −20 (2) |
C42A—Ru3A—C43A—O9A | −57.8 (12) | C42B—Ru3B—C43B—O9B | −66.2 (15) |
C41A—Ru3A—C43A—O9A | 75.7 (19) | C41B—Ru3B—C43B—O9B | 132.3 (13) |
P1A—Ru3A—C43A—O9A | 42.0 (12) | P1B—Ru3B—C43B—O9B | 38.2 (15) |
Ru2A—Ru3A—C43A—O9A | −147.6 (12) | Ru2B—Ru3B—C43B—O9B | −160.3 (15) |
Ru1A—Ru3A—C43A—O9A | 152.9 (12) | Ru1B—Ru3B—C43B—O9B | 139.2 (15) |
D—H···A | D—H | H···A | D···A | D—H···A |
C10B—H10B···O6Ai | 0.93 | 2.59 | 3.293 (2) | 132 |
C17B—H17B···O2Bii | 0.93 | 2.57 | 3.477 (2) | 165 |
C33A—H33B···O2Aiii | 0.96 | 2.56 | 3.492 (2) | 164 |
Symmetry codes: (i) −x, −y+1, −z; (ii) −x+1, −y+1, −z; (iii) −x, −y+1, −z+1. |
Experimental details
Crystal data | |
Chemical formula | [Ru3(C25H22As2)(C9H21O3P)(CO)9] |
Mr | 1235.79 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 100 |
a, b, c (Å) | 12.3481 (3), 18.1697 (4), 21.5295 (5) |
α, β, γ (°) | 93.494 (1), 103.230 (1), 90.383 (1) |
V (Å3) | 4692.38 (19) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 2.45 |
Crystal size (mm) | 0.35 × 0.23 × 0.19 |
Data collection | |
Diffractometer | Bruker APEXII DUO CCD area-detector diffractometer |
Absorption correction | Multi-scan (SADABS; Bruker, 2009) |
Tmin, Tmax | 0.483, 0.659 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 161249, 40931, 35153 |
Rint | 0.026 |
(sin θ/λ)max (Å−1) | 0.807 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.024, 0.055, 1.01 |
No. of reflections | 40931 |
No. of parameters | 1093 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 1.57, −1.26 |
Computer programs: APEX2 (Bruker, 2009), SAINT (Bruker, 2009), SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009).
D—H···A | D—H | H···A | D···A | D—H···A |
C10B—H10B···O6Ai | 0.93 | 2.59 | 3.293 (2) | 132 |
C17B—H17B···O2Bii | 0.93 | 2.57 | 3.477 (2) | 165 |
C33A—H33B···O2Aiii | 0.96 | 2.56 | 3.492 (2) | 164 |
Symmetry codes: (i) −x, −y+1, −z; (ii) −x+1, −y+1, −z; (iii) −x, −y+1, −z+1. |
Acknowledgements
We gratefully acknowledge funding from the Malaysian Government and Universiti Sains Malaysia (USM) under the University Research Grant 1001/PJJAUH/811115. MGA thanks USM for a dost-doctoral fellowship and HKF thanks the Malaysian Government and Universiti Sains Malaysia for the Research University Grant No. 1001/PFIZIK/811160.
References
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This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Syntheses and crystal structures of substituted triangulo-triruthenium clusters have been of interest to researchers due to structural variations and catalytic activities. A large number of substituted derivatives, Ru3(CO)12-nLn (L = group 15 ligand) have been reported (Bruce et al., 1988). As part of our ongoing studies (Shawkataly et al., 2011), we report here a mixed-ligand metal-carbonyl cluster complex, Ru3(CO)9(µ-Ph2AsCH2AsPh2)(P[OCH(CH3)2]3).
The asymmetric unit consists of two crystallographically independent molecules (Fig. 1) of the triangulo-triruthenium complex, A and B. Fig. 2 shows the atom numbering scheme for molecule A. Atoms of molecule B were labelled similarly. The bond lengths and angles of the title compound are comparable to those found in its related structure (Shawkataly et al., 1998). The bis(diphenylarsino)methane ligand bridges the Ru1 – Ru2 bond and the monodentate phosphite ligand bonds to the Ru3 atom. Both the phosphite and arsine ligands are equatorial with respect to the Ru3 triangle. Additionally, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The dihedral angles between the two benzene rings (C1-C6/C7-C12 & C14-C19/C20-C25) are 85.67 (8), 75.91 (8) and 74.64 (8), 70.76 (9) for the two diphenylarsanyl groups of molecule A and B, respectively.
In the title compound, one of the Ru – Ru bonds is noticeably longer compared to the other two Ru – Ru bonds. The unevenness in the lengths of Ru – Ru bonds in comparison with those of the Ru3(CO)12 structure (Churchill et al., 1977), can be attributed to the steric effect induced by the bulky substituent. In the crystal, molecules are linked into a three-dimensional framework by intermolecular C—H···O weak intearctions. (Fig. 3).