Literature DB >> 22719357

[μ-Bis(di-o-tolyl-phosphan-yl)methane-1:2κ(2)P:P']nona-carbonyl-1κ(3)C,2κ(3)C,3κ(3)C-(triphenyl phosphite-3κP)-triangulo-triruthenium(0) chloro-form disolvate.

Omar Bin Shawkataly, Imthyaz Ahmed Khan, Siti Syaida Sirat, Ching Kheng Quah, Hoong-Kun Fun.   

Abstract

In the title solvated triangulo-triruthenium compound, [Ru(3)(C(18)H(15)O(3)P)(C(29)H(30)P(2))(CO)(9)]·2CHCl(3), the bis-(di-o-tolyl-phosphan-yl)methane (dtpm) ligand bridges one of the Ru-Ru bonds and the monodentate phosphine ligand bonds to the third Ru atom. All the P atoms are equatorial with respect to the Ru(3) triangle: each Ru atom also bears one equatorial and two axial terminal carbonyl ligands. The dihedral angles between the two benzene rings are 75.92 (10) and 78.95 (10)° for the two diphenyl-phosphanyl groups of the dtpm ligand. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into chains along [010].

Entities:  

Year:  2012        PMID: 22719357      PMCID: PMC3379136          DOI: 10.1107/S1600536812023227

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

For general background to triangulo-triruthenium compounds with general formula [Ru3(CO)12- L ] (L = group 15 ligand) see: Bruce et al. (1985 ▶,1988a ▶,b ▶); Shawkataly et al. (1998 ▶, 2004 ▶, 2010 ▶, 2011 ▶). For the preparation of the dtpm ligand, see: Filby et al. (2006 ▶). For the stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986 ▶).

Experimental

Crystal data

[Ru3(C18H15O3P)(C29H30P2)(CO)9]·2CHCl3 M = 1544.78 Triclinic, a = 12.8185 (4) Å b = 14.9912 (4) Å c = 16.6456 (5) Å α = 83.374 (1)° β = 81.380 (1)° γ = 74.099 (1)° V = 3032.25 (15) Å3 Z = 2 Mo Kα radiation μ = 1.14 mm−1 T = 100 K 0.46 × 0.30 × 0.21 mm

Data collection

Bruker SMART APEXII DUO CCD diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2009 ▶) T min = 0.624, T max = 0.795 85380 measured reflections 21719 independent reflections 20112 reflections with I > 2σ(I) R int = 0.019

Refinement

R[F 2 > 2σ(F 2)] = 0.031 wR(F 2) = 0.091 S = 1.08 21719 reflections 739 parameters H-atom parameters constrained Δρmax = 0.80 e Å−3 Δρmin = −2.35 e Å−3 Data collection: APEX2 (Bruker, 2009 ▶); cell refinement: 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 ▶). Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536812023227/hb6801sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812023227/hb6801Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Ru3(C18H15O3P)(C29H30P2)(CO)9]·2CHCl3Z = 2
Mr = 1544.78F(000) = 1540
Triclinic, P1Dx = 1.692 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 12.8185 (4) ÅCell parameters from 9874 reflections
b = 14.9912 (4) Åθ = 3.2–35.1°
c = 16.6456 (5) ŵ = 1.14 mm1
α = 83.374 (1)°T = 100 K
β = 81.380 (1)°Block, red
γ = 74.099 (1)°0.46 × 0.30 × 0.21 mm
V = 3032.25 (15) Å3
Bruker SMART APEXII DUO CCD diffractometer21719 independent reflections
Radiation source: fine-focus sealed tube20112 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.019
φ and ω scansθmax = 32.5°, θmin = 1.2°
Absorption correction: multi-scan (SADABS; Bruker, 2009)h = −19→19
Tmin = 0.624, Tmax = 0.795k = −22→22
85380 measured reflectionsl = −24→25
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.031Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.091H-atom parameters constrained
S = 1.08w = 1/[σ2(Fo2) + (0.0433P)2 + 5.4575P] where P = (Fo2 + 2Fc2)/3
21719 reflections(Δ/σ)max = 0.001
739 parametersΔρmax = 0.80 e Å3
0 restraintsΔρmin = −2.35 e Å3
Experimental. The crystal was placed in the cold stream of an Oxford Cryosystems Cobra open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100 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.
xyzUiso*/Ueq
Ru10.240263 (11)0.185552 (9)0.760162 (8)0.01124 (3)
Ru20.139490 (11)0.042574 (9)0.741319 (8)0.01144 (3)
Ru30.371742 (11)0.004225 (9)0.726241 (9)0.01257 (3)
Cl10.25562 (6)0.52361 (5)0.33076 (5)0.04271 (16)
Cl20.12538 (5)0.45637 (5)0.46909 (5)0.03657 (13)
Cl30.36034 (5)0.38965 (4)0.45163 (5)0.03466 (13)
Cl40.52852 (14)0.70175 (18)−0.02518 (12)0.1215 (8)
Cl50.42893 (16)0.57336 (13)0.07960 (9)0.1085 (6)
Cl60.29506 (11)0.73703 (11)0.00349 (7)0.0792 (4)
P10.07219 (4)0.28676 (3)0.80611 (3)0.01138 (7)
P2−0.03476 (4)0.14719 (3)0.73937 (3)0.01134 (7)
P30.40041 (4)−0.14531 (3)0.70099 (3)0.01292 (8)
O10.41111 (13)0.29390 (12)0.74750 (11)0.0263 (3)
O20.28642 (14)0.13480 (11)0.93808 (9)0.0236 (3)
O30.21740 (13)0.23920 (11)0.57851 (9)0.0214 (3)
O40.08630 (13)−0.14160 (10)0.73528 (10)0.0222 (3)
O50.12618 (15)0.00889 (12)0.92782 (10)0.0251 (3)
O60.16771 (13)0.05646 (11)0.55394 (9)0.0216 (3)
O70.37761 (18)−0.06511 (13)0.90726 (10)0.0329 (4)
O80.39758 (13)0.06056 (12)0.54290 (10)0.0246 (3)
O90.60000 (14)0.03321 (13)0.71255 (13)0.0302 (4)
O100.37818 (12)−0.20987 (9)0.78295 (9)0.0171 (2)
O110.32926 (11)−0.16811 (10)0.63892 (9)0.0175 (2)
O120.51964 (11)−0.20142 (9)0.66005 (8)0.0150 (2)
C10.04446 (15)0.41116 (12)0.77021 (11)0.0142 (3)
C2−0.05015 (16)0.47984 (13)0.79789 (11)0.0170 (3)
C3−0.06367 (18)0.57068 (13)0.76143 (12)0.0198 (3)
H3A−0.12740.61730.77890.024*
C40.01266 (19)0.59495 (13)0.70076 (13)0.0217 (4)
H4A0.00130.65730.67770.026*
C50.10578 (18)0.52763 (14)0.67388 (12)0.0204 (3)
H5A0.15860.54350.63240.024*
C60.12075 (16)0.43657 (13)0.70855 (11)0.0164 (3)
H6A0.18430.39050.68990.020*
C70.04805 (15)0.28172 (12)0.91792 (10)0.0135 (3)
C80.09537 (16)0.33086 (13)0.96319 (11)0.0172 (3)
C90.07724 (18)0.31933 (15)1.04842 (12)0.0219 (4)
H9A0.10680.35371.07950.026*
C100.01774 (19)0.25965 (16)1.08900 (12)0.0232 (4)
H10A0.00620.25381.14690.028*
C11−0.02478 (18)0.20855 (15)1.04402 (12)0.0214 (4)
H11A−0.06390.16591.07100.026*
C12−0.00992 (16)0.22004 (13)0.95941 (11)0.0161 (3)
H12A−0.03980.18520.92900.019*
C13−0.05140 (14)0.26139 (12)0.77953 (11)0.0141 (3)
H13A−0.08290.31070.73840.017*
H13B−0.10570.26630.82890.017*
C14−0.06622 (14)0.17926 (12)0.63406 (10)0.0121 (3)
C15−0.10205 (14)0.11996 (12)0.59087 (11)0.0139 (3)
C16−0.11396 (16)0.14461 (14)0.50842 (11)0.0171 (3)
H16A−0.13920.10550.47910.021*
C17−0.09008 (16)0.22440 (14)0.46811 (11)0.0190 (3)
H17A−0.09890.23950.41210.023*
C18−0.05320 (17)0.28189 (14)0.51062 (12)0.0184 (3)
H18A−0.03620.33650.48370.022*
C19−0.04138 (15)0.25923 (12)0.59229 (11)0.0151 (3)
H19A−0.01580.29880.62080.018*
C20−0.15337 (15)0.11352 (13)0.79839 (10)0.0147 (3)
C21−0.26223 (16)0.16794 (14)0.79837 (12)0.0181 (3)
C22−0.34495 (17)0.13524 (17)0.84719 (13)0.0235 (4)
H22A−0.41860.17110.84740.028*
C23−0.32237 (18)0.05170 (17)0.89552 (13)0.0249 (4)
H23A−0.38010.03120.92810.030*
C24−0.21559 (18)−0.00126 (15)0.89598 (12)0.0219 (4)
H24A−0.1993−0.05820.92900.026*
C25−0.13201 (16)0.02985 (14)0.84741 (11)0.0177 (3)
H25A−0.0587−0.00670.84760.021*
C26−0.13764 (19)0.46205 (15)0.86455 (14)0.0259 (4)
H26A−0.19480.52000.87300.039*
H26B−0.10530.43930.91520.039*
H26C−0.16960.41530.84870.039*
C270.1639 (2)0.39520 (17)0.92475 (13)0.0258 (4)
H27A0.18820.42170.96750.039*
H27B0.12040.44550.89100.039*
H27C0.22780.36040.89070.039*
C28−0.12718 (18)0.03084 (14)0.62834 (12)0.0197 (3)
H28A−0.15060.00120.58720.030*
H28B−0.18580.04440.67380.030*
H28C−0.0616−0.01110.64840.030*
C29−0.29587 (17)0.26023 (16)0.74971 (14)0.0249 (4)
H29A−0.37540.28480.75950.037*
H29B−0.27350.25170.69160.037*
H29C−0.26050.30410.76650.037*
C300.34552 (15)0.25359 (13)0.75230 (12)0.0165 (3)
C310.26749 (16)0.14748 (13)0.87190 (12)0.0169 (3)
C320.22388 (15)0.21423 (12)0.64591 (11)0.0153 (3)
C330.10801 (15)−0.07248 (13)0.73721 (11)0.0157 (3)
C340.13502 (16)0.02545 (13)0.85854 (12)0.0176 (3)
C350.16153 (15)0.05443 (13)0.62333 (11)0.0158 (3)
C360.36844 (18)−0.03512 (14)0.84181 (13)0.0208 (3)
C370.37983 (15)0.04360 (13)0.61124 (12)0.0173 (3)
C380.51501 (17)0.02119 (14)0.72039 (13)0.0201 (3)
C390.37275 (16)−0.30190 (13)0.78418 (12)0.0173 (3)
C400.46430 (18)−0.37270 (14)0.76288 (14)0.0233 (4)
H40A0.5336−0.36040.74690.028*
C410.4522 (2)−0.46287 (16)0.76544 (17)0.0306 (5)
H41A0.5138−0.51230.74990.037*
C420.3509 (2)−0.48106 (16)0.79045 (18)0.0337 (5)
H42A0.3435−0.54260.79190.040*
C430.2613 (2)−0.40921 (17)0.81314 (17)0.0304 (5)
H43A0.1925−0.42170.83120.036*
C440.27115 (18)−0.31881 (15)0.80980 (14)0.0223 (4)
H44A0.2093−0.26930.82480.027*
C450.36400 (15)−0.22577 (13)0.57396 (12)0.0169 (3)
C460.40476 (19)−0.18904 (16)0.49954 (13)0.0240 (4)
H46A0.4138−0.12770.49370.029*
C470.4322 (2)−0.2435 (2)0.43359 (15)0.0326 (5)
H47A0.4604−0.21940.38210.039*
C480.4184 (2)−0.33311 (19)0.44246 (16)0.0340 (5)
H48A0.4380−0.37040.39730.041*
C490.3764 (2)−0.36781 (16)0.51690 (16)0.0293 (5)
H49A0.3665−0.42880.52250.035*
C500.34808 (18)−0.31425 (15)0.58425 (14)0.0220 (4)
H50A0.3188−0.33790.63550.026*
C510.61667 (14)−0.19515 (12)0.68423 (11)0.0144 (3)
C520.63069 (16)−0.19898 (13)0.76580 (12)0.0181 (3)
H52A0.5743−0.20750.80760.022*
C530.72967 (18)−0.19007 (14)0.78498 (14)0.0221 (4)
H53A0.7401−0.19110.84040.026*
C540.81255 (17)−0.17980 (14)0.72407 (15)0.0234 (4)
H54A0.8792−0.17300.73770.028*
C550.79825 (16)−0.17942 (14)0.64243 (14)0.0218 (4)
H55A0.8561−0.17440.60070.026*
C560.69940 (16)−0.18638 (13)0.62196 (12)0.0175 (3)
H56A0.6888−0.18510.56650.021*
C570.24503 (17)0.42747 (15)0.40016 (15)0.0235 (4)
H57A0.24110.37570.36880.028*
C580.4194 (4)0.6485 (4)−0.0080 (2)0.0709 (13)
H58A0.42100.6131−0.05570.085*
U11U22U33U12U13U23
Ru10.01275 (6)0.01008 (6)0.01143 (6)−0.00347 (4)−0.00121 (4)−0.00222 (4)
Ru20.01249 (6)0.01028 (6)0.01241 (6)−0.00334 (4)−0.00257 (4)−0.00223 (4)
Ru30.01249 (6)0.01098 (6)0.01448 (6)−0.00259 (4)−0.00173 (4)−0.00314 (4)
Cl10.0345 (3)0.0383 (3)0.0509 (4)−0.0095 (3)−0.0052 (3)0.0150 (3)
Cl20.0243 (2)0.0383 (3)0.0438 (3)−0.0061 (2)0.0048 (2)−0.0070 (3)
Cl30.0258 (2)0.0271 (3)0.0505 (4)0.0004 (2)−0.0141 (2)−0.0061 (2)
Cl40.0678 (9)0.197 (2)0.0928 (11)−0.0450 (11)−0.0087 (8)0.0391 (13)
Cl50.1206 (13)0.1155 (12)0.0541 (7)0.0044 (10)0.0090 (7)0.0261 (7)
Cl60.0680 (7)0.1084 (10)0.0539 (6)0.0018 (6)−0.0162 (5)−0.0267 (6)
P10.01406 (18)0.01094 (17)0.00978 (17)−0.00400 (14)−0.00118 (13)−0.00201 (13)
P20.01271 (17)0.01163 (17)0.01051 (17)−0.00378 (14)−0.00206 (13)−0.00194 (13)
P30.01289 (18)0.01228 (18)0.01419 (18)−0.00377 (14)−0.00097 (14)−0.00325 (14)
O10.0208 (7)0.0253 (7)0.0365 (9)−0.0115 (6)0.0002 (6)−0.0086 (6)
O20.0312 (8)0.0220 (7)0.0175 (6)−0.0054 (6)−0.0069 (6)−0.0004 (5)
O30.0283 (7)0.0202 (6)0.0151 (6)−0.0054 (5)−0.0024 (5)−0.0013 (5)
O40.0239 (7)0.0159 (6)0.0293 (8)−0.0082 (5)−0.0047 (6)−0.0024 (5)
O50.0332 (8)0.0286 (8)0.0169 (6)−0.0125 (6)−0.0068 (6)0.0007 (5)
O60.0234 (7)0.0274 (7)0.0159 (6)−0.0091 (6)−0.0004 (5)−0.0065 (5)
O70.0486 (11)0.0265 (8)0.0182 (7)0.0019 (7)−0.0082 (7)−0.0035 (6)
O80.0216 (7)0.0272 (7)0.0204 (7)−0.0019 (6)0.0011 (5)0.0018 (6)
O90.0205 (7)0.0282 (8)0.0461 (10)−0.0107 (6)−0.0064 (7)−0.0070 (7)
O100.0228 (6)0.0133 (5)0.0161 (6)−0.0073 (5)0.0004 (5)−0.0026 (4)
O110.0145 (6)0.0200 (6)0.0196 (6)−0.0040 (5)−0.0024 (5)−0.0086 (5)
O120.0125 (5)0.0163 (6)0.0169 (6)−0.0034 (4)−0.0015 (4)−0.0055 (4)
C10.0195 (7)0.0113 (6)0.0121 (7)−0.0037 (6)−0.0026 (6)−0.0016 (5)
C20.0217 (8)0.0135 (7)0.0144 (7)−0.0023 (6)−0.0006 (6)−0.0032 (6)
C30.0269 (9)0.0127 (7)0.0179 (8)−0.0013 (6)−0.0030 (7)−0.0021 (6)
C40.0324 (10)0.0132 (7)0.0187 (8)−0.0051 (7)−0.0048 (7)0.0014 (6)
C50.0261 (9)0.0168 (8)0.0178 (8)−0.0075 (7)−0.0007 (7)0.0022 (6)
C60.0196 (8)0.0144 (7)0.0152 (7)−0.0051 (6)−0.0008 (6)−0.0008 (6)
C70.0170 (7)0.0134 (7)0.0105 (6)−0.0045 (6)−0.0014 (5)−0.0017 (5)
C80.0218 (8)0.0190 (8)0.0128 (7)−0.0082 (6)−0.0024 (6)−0.0026 (6)
C90.0288 (10)0.0268 (9)0.0127 (7)−0.0102 (8)−0.0039 (7)−0.0037 (7)
C100.0288 (10)0.0278 (10)0.0123 (7)−0.0077 (8)−0.0015 (7)0.0003 (7)
C110.0246 (9)0.0231 (9)0.0155 (8)−0.0077 (7)0.0007 (7)0.0019 (6)
C120.0190 (8)0.0158 (7)0.0143 (7)−0.0066 (6)−0.0006 (6)−0.0012 (6)
C130.0145 (7)0.0134 (7)0.0145 (7)−0.0021 (5)−0.0028 (5)−0.0043 (5)
C140.0125 (6)0.0128 (6)0.0112 (6)−0.0036 (5)−0.0017 (5)−0.0016 (5)
C150.0151 (7)0.0152 (7)0.0126 (7)−0.0052 (6)−0.0021 (5)−0.0021 (5)
C160.0187 (8)0.0206 (8)0.0140 (7)−0.0071 (6)−0.0039 (6)−0.0021 (6)
C170.0208 (8)0.0244 (9)0.0128 (7)−0.0072 (7)−0.0041 (6)0.0008 (6)
C180.0220 (8)0.0184 (8)0.0153 (7)−0.0071 (6)−0.0035 (6)0.0029 (6)
C190.0168 (7)0.0145 (7)0.0146 (7)−0.0052 (6)−0.0023 (6)−0.0005 (5)
C200.0158 (7)0.0184 (7)0.0111 (7)−0.0069 (6)−0.0005 (5)−0.0016 (5)
C210.0159 (7)0.0234 (8)0.0154 (7)−0.0062 (6)−0.0011 (6)−0.0020 (6)
C220.0176 (8)0.0331 (11)0.0207 (9)−0.0101 (7)0.0022 (7)−0.0033 (7)
C230.0237 (9)0.0358 (11)0.0184 (9)−0.0164 (8)0.0025 (7)−0.0012 (8)
C240.0270 (9)0.0255 (9)0.0159 (8)−0.0134 (8)−0.0013 (7)0.0018 (7)
C250.0214 (8)0.0195 (8)0.0137 (7)−0.0086 (6)−0.0016 (6)−0.0002 (6)
C260.0287 (10)0.0173 (8)0.0248 (10)−0.0002 (7)0.0090 (8)−0.0036 (7)
C270.0365 (11)0.0321 (11)0.0174 (8)−0.0230 (9)−0.0036 (8)−0.0029 (7)
C280.0281 (9)0.0197 (8)0.0163 (8)−0.0139 (7)−0.0049 (7)−0.0006 (6)
C290.0150 (8)0.0279 (10)0.0286 (10)−0.0030 (7)−0.0025 (7)0.0038 (8)
C300.0161 (7)0.0148 (7)0.0186 (8)−0.0035 (6)−0.0008 (6)−0.0039 (6)
C310.0195 (8)0.0141 (7)0.0177 (8)−0.0048 (6)−0.0028 (6)−0.0013 (6)
C320.0172 (7)0.0141 (7)0.0153 (7)−0.0045 (6)−0.0010 (6)−0.0038 (6)
C330.0155 (7)0.0148 (7)0.0172 (7)−0.0040 (6)−0.0026 (6)−0.0023 (6)
C340.0199 (8)0.0164 (7)0.0184 (8)−0.0059 (6)−0.0058 (6)−0.0011 (6)
C350.0152 (7)0.0157 (7)0.0176 (8)−0.0051 (6)−0.0016 (6)−0.0041 (6)
C360.0252 (9)0.0168 (8)0.0190 (8)−0.0006 (7)−0.0042 (7)−0.0054 (6)
C370.0141 (7)0.0154 (7)0.0212 (8)−0.0019 (6)−0.0014 (6)−0.0018 (6)
C380.0197 (8)0.0164 (8)0.0259 (9)−0.0049 (6)−0.0050 (7)−0.0049 (7)
C390.0220 (8)0.0140 (7)0.0165 (7)−0.0067 (6)−0.0001 (6)−0.0019 (6)
C400.0233 (9)0.0163 (8)0.0279 (10)−0.0039 (7)0.0023 (7)−0.0027 (7)
C410.0344 (12)0.0154 (8)0.0381 (12)−0.0043 (8)0.0045 (10)−0.0037 (8)
C420.0422 (14)0.0174 (9)0.0433 (14)−0.0143 (9)0.0017 (11)−0.0023 (9)
C430.0334 (11)0.0235 (10)0.0374 (12)−0.0161 (9)0.0000 (9)0.0010 (9)
C440.0218 (9)0.0188 (8)0.0259 (9)−0.0077 (7)0.0007 (7)0.0006 (7)
C450.0152 (7)0.0183 (8)0.0182 (8)−0.0032 (6)−0.0041 (6)−0.0062 (6)
C460.0261 (9)0.0277 (10)0.0194 (9)−0.0084 (8)−0.0016 (7)−0.0050 (7)
C470.0369 (12)0.0407 (13)0.0189 (9)−0.0067 (10)−0.0015 (9)−0.0081 (9)
C480.0387 (13)0.0361 (12)0.0266 (11)0.0007 (10)−0.0101 (9)−0.0180 (9)
C490.0359 (12)0.0207 (9)0.0343 (12)−0.0033 (8)−0.0143 (9)−0.0112 (8)
C500.0250 (9)0.0196 (8)0.0243 (9)−0.0071 (7)−0.0069 (7)−0.0052 (7)
C510.0135 (7)0.0113 (6)0.0182 (7)−0.0021 (5)−0.0017 (6)−0.0032 (5)
C520.0186 (8)0.0175 (8)0.0178 (8)−0.0032 (6)−0.0033 (6)−0.0019 (6)
C530.0223 (9)0.0195 (8)0.0256 (9)−0.0030 (7)−0.0109 (7)−0.0022 (7)
C540.0168 (8)0.0175 (8)0.0374 (11)−0.0046 (6)−0.0095 (8)0.0004 (7)
C550.0150 (8)0.0167 (8)0.0326 (10)−0.0047 (6)−0.0008 (7)0.0007 (7)
C560.0171 (7)0.0142 (7)0.0201 (8)−0.0035 (6)−0.0002 (6)−0.0011 (6)
C570.0203 (9)0.0189 (8)0.0315 (10)−0.0034 (7)−0.0034 (7)−0.0066 (7)
C580.058 (2)0.106 (4)0.0365 (18)−0.009 (2)−0.0053 (16)0.014 (2)
Ru1—C301.8837 (19)C15—C161.399 (2)
Ru1—C321.9306 (18)C15—C281.504 (3)
Ru1—C311.9359 (19)C16—C171.389 (3)
Ru1—P12.3476 (5)C16—H16A0.9500
Ru1—Ru32.8473 (2)C17—C181.390 (3)
Ru1—Ru22.8557 (2)C17—H17A0.9500
Ru2—C331.8867 (18)C18—C191.383 (3)
Ru2—C341.9328 (19)C18—H18A0.9500
Ru2—C351.9363 (19)C19—H19A0.9500
Ru2—P22.3538 (5)C20—C251.399 (3)
Ru2—Ru32.8510 (2)C20—C211.410 (3)
Ru3—C381.909 (2)C21—C221.400 (3)
Ru3—C371.933 (2)C21—C291.508 (3)
Ru3—C361.944 (2)C22—C231.392 (3)
Ru3—P32.2488 (5)C22—H22A0.9500
Cl1—C571.762 (2)C23—C241.382 (3)
Cl2—C571.755 (2)C23—H23A0.9500
Cl3—C571.746 (2)C24—C251.395 (3)
Cl4—C581.765 (6)C24—H24A0.9500
Cl5—C581.734 (4)C25—H25A0.9500
Cl6—C581.774 (5)C26—H26A0.9800
P1—C71.8365 (17)C26—H26B0.9800
P1—C11.8452 (18)C26—H26C0.9800
P1—C131.8519 (18)C27—H27A0.9800
P2—C141.8379 (17)C27—H27B0.9800
P2—C201.8412 (18)C27—H27C0.9800
P2—C131.8560 (17)C28—H28A0.9800
P3—O111.5972 (14)C28—H28B0.9800
P3—O101.6153 (15)C28—H28C0.9800
P3—O121.6196 (14)C29—H29A0.9800
O1—C301.151 (2)C29—H29B0.9800
O2—C311.147 (2)C29—H29C0.9800
O3—C321.149 (2)C39—C401.382 (3)
O4—C331.149 (2)C39—C441.390 (3)
O5—C341.147 (2)C40—C411.397 (3)
O6—C351.143 (2)C40—H40A0.9500
O7—C361.140 (3)C41—C421.393 (4)
O8—C371.139 (3)C41—H41A0.9500
O9—C381.138 (3)C42—C431.381 (4)
O10—C391.398 (2)C42—H42A0.9500
O11—C451.405 (2)C43—C441.389 (3)
O12—C511.393 (2)C43—H43A0.9500
C1—C61.403 (3)C44—H44A0.9500
C1—C21.415 (3)C45—C501.384 (3)
C2—C31.401 (3)C45—C461.385 (3)
C2—C261.511 (3)C46—C471.389 (3)
C3—C41.387 (3)C46—H46A0.9500
C3—H3A0.9500C47—C481.391 (4)
C4—C51.388 (3)C47—H47A0.9500
C4—H4A0.9500C48—C491.379 (4)
C5—C61.393 (3)C48—H48A0.9500
C5—H5A0.9500C49—C501.400 (3)
C6—H6A0.9500C49—H49A0.9500
C7—C121.400 (2)C50—H50A0.9500
C7—C81.410 (2)C51—C521.389 (3)
C8—C91.401 (3)C51—C561.390 (3)
C8—C271.505 (3)C52—C531.398 (3)
C9—C101.385 (3)C52—H52A0.9500
C9—H9A0.9500C53—C541.382 (3)
C10—C111.389 (3)C53—H53A0.9500
C10—H10A0.9500C54—C551.397 (3)
C11—C121.390 (3)C54—H54A0.9500
C11—H11A0.9500C55—C561.394 (3)
C12—H12A0.9500C55—H55A0.9500
C13—H13A0.9900C56—H56A0.9500
C13—H13B0.9900C57—H57A1.0000
C14—C191.404 (2)C58—H58A1.0000
C14—C151.410 (2)
C30—Ru1—C3291.68 (8)C17—C18—H18A120.1
C30—Ru1—C3187.98 (8)C18—C19—C14121.66 (17)
C32—Ru1—C31174.89 (8)C18—C19—H19A119.2
C30—Ru1—P1106.24 (6)C14—C19—H19A119.2
C32—Ru1—P195.01 (6)C25—C20—C21119.08 (17)
C31—Ru1—P189.99 (6)C25—C20—P2116.96 (14)
C30—Ru1—Ru3102.18 (6)C21—C20—P2123.94 (14)
C32—Ru1—Ru389.88 (5)C22—C21—C20118.31 (19)
C31—Ru1—Ru385.21 (6)C22—C21—C29117.39 (18)
P1—Ru1—Ru3150.984 (12)C20—C21—C29124.29 (17)
C30—Ru1—Ru2160.93 (6)C23—C22—C21121.9 (2)
C32—Ru1—Ru282.18 (5)C23—C22—H22A119.0
C31—Ru1—Ru296.54 (6)C21—C22—H22A119.0
P1—Ru1—Ru292.322 (12)C24—C23—C22119.74 (19)
Ru3—Ru1—Ru259.989 (5)C24—C23—H23A120.1
C33—Ru2—C3491.82 (8)C22—C23—H23A120.1
C33—Ru2—C3588.96 (8)C23—C24—C25119.24 (19)
C34—Ru2—C35173.59 (8)C23—C24—H24A120.4
C33—Ru2—P2101.70 (6)C25—C24—H24A120.4
C34—Ru2—P296.36 (6)C24—C25—C20121.71 (19)
C35—Ru2—P289.70 (6)C24—C25—H25A119.1
C33—Ru2—Ru3106.16 (6)C20—C25—H25A119.1
C34—Ru2—Ru389.61 (6)C2—C26—H26A109.5
C35—Ru2—Ru384.07 (5)C2—C26—H26B109.5
P2—Ru2—Ru3151.297 (12)H26A—C26—H26B109.5
C33—Ru2—Ru1164.78 (6)C2—C26—H26C109.5
C34—Ru2—Ru182.59 (6)H26A—C26—H26C109.5
C35—Ru2—Ru195.06 (5)H26B—C26—H26C109.5
P2—Ru2—Ru193.013 (12)C8—C27—H27A109.5
Ru3—Ru2—Ru159.860 (5)C8—C27—H27B109.5
C38—Ru3—C3786.27 (9)H27A—C27—H27B109.5
C38—Ru3—C3691.88 (9)C8—C27—H27C109.5
C37—Ru3—C36178.14 (9)H27A—C27—H27C109.5
C38—Ru3—P3104.36 (6)H27B—C27—H27C109.5
C37—Ru3—P391.72 (6)C15—C28—H28A109.5
C36—Ru3—P388.63 (6)C15—C28—H28B109.5
C38—Ru3—Ru1101.06 (6)H28A—C28—H28B109.5
C37—Ru3—Ru189.13 (5)C15—C28—H28C109.5
C36—Ru3—Ru191.34 (6)H28A—C28—H28C109.5
P3—Ru3—Ru1154.566 (13)H28B—C28—H28C109.5
C38—Ru3—Ru2161.16 (6)C21—C29—H29A109.5
C37—Ru3—Ru291.74 (6)C21—C29—H29B109.5
C36—Ru3—Ru290.06 (6)H29A—C29—H29B109.5
P3—Ru3—Ru294.414 (13)C21—C29—H29C109.5
Ru1—Ru3—Ru260.152 (5)H29A—C29—H29C109.5
C7—P1—C1106.45 (8)H29B—C29—H29C109.5
C7—P1—C13102.54 (8)O1—C30—Ru1178.93 (18)
C1—P1—C1399.39 (8)O2—C31—Ru1171.92 (17)
C7—P1—Ru1111.41 (6)O3—C32—Ru1173.12 (16)
C1—P1—Ru1119.03 (6)O4—C33—Ru2178.39 (17)
C13—P1—Ru1116.12 (6)O5—C34—Ru2172.95 (17)
C14—P2—C20107.18 (8)O6—C35—Ru2173.54 (16)
C14—P2—C13103.10 (8)O7—C36—Ru3172.26 (19)
C20—P2—C13100.03 (8)O8—C37—Ru3171.62 (17)
C14—P2—Ru2110.49 (6)O9—C38—Ru3176.2 (2)
C20—P2—Ru2118.78 (6)C40—C39—C44121.77 (18)
C13—P2—Ru2115.67 (6)C40—C39—O10121.64 (18)
O11—P3—O10104.17 (8)C44—C39—O10116.58 (17)
O11—P3—O1297.81 (7)C39—C40—C41118.3 (2)
O10—P3—O12103.38 (8)C39—C40—H40A120.9
O11—P3—Ru3117.80 (6)C41—C40—H40A120.9
O10—P3—Ru3111.92 (5)C42—C41—C40120.8 (2)
O12—P3—Ru3119.50 (5)C42—C41—H41A119.6
C39—O10—P3124.36 (12)C40—C41—H41A119.6
C45—O11—P3128.76 (12)C43—C42—C41119.7 (2)
C51—O12—P3122.70 (11)C43—C42—H42A120.2
C6—C1—C2119.10 (16)C41—C42—H42A120.2
C6—C1—P1116.59 (13)C42—C43—C44120.5 (2)
C2—C1—P1124.23 (14)C42—C43—H43A119.7
C3—C2—C1117.98 (18)C44—C43—H43A119.7
C3—C2—C26117.62 (17)C43—C44—C39119.0 (2)
C1—C2—C26124.40 (17)C43—C44—H44A120.5
C4—C3—C2122.33 (18)C39—C44—H44A120.5
C4—C3—H3A118.8C50—C45—C46122.09 (19)
C2—C3—H3A118.8C50—C45—O11119.24 (18)
C3—C4—C5119.68 (18)C46—C45—O11118.45 (18)
C3—C4—H4A120.2C45—C46—C47118.8 (2)
C5—C4—H4A120.2C45—C46—H46A120.6
C4—C5—C6119.17 (18)C47—C46—H46A120.6
C4—C5—H5A120.4C46—C47—C48120.3 (2)
C6—C5—H5A120.4C46—C47—H47A119.8
C5—C6—C1121.74 (18)C48—C47—H47A119.8
C5—C6—H6A119.1C49—C48—C47119.9 (2)
C1—C6—H6A119.1C49—C48—H48A120.1
C12—C7—C8119.03 (16)C47—C48—H48A120.1
C12—C7—P1118.72 (13)C48—C49—C50120.8 (2)
C8—C7—P1121.94 (14)C48—C49—H49A119.6
C9—C8—C7118.19 (17)C50—C49—H49A119.6
C9—C8—C27118.36 (17)C45—C50—C49118.1 (2)
C7—C8—C27123.44 (17)C45—C50—H50A121.0
C10—C9—C8122.32 (19)C49—C50—H50A121.0
C10—C9—H9A118.8C52—C51—C56121.87 (17)
C8—C9—H9A118.8C52—C51—O12122.02 (17)
C9—C10—C11119.15 (18)C56—C51—O12116.11 (16)
C9—C10—H10A120.4C51—C52—C53118.50 (19)
C11—C10—H10A120.4C51—C52—H52A120.8
C10—C11—C12119.71 (19)C53—C52—H52A120.8
C10—C11—H11A120.1C54—C53—C52120.7 (2)
C12—C11—H11A120.1C54—C53—H53A119.7
C11—C12—C7121.50 (17)C52—C53—H53A119.7
C11—C12—H12A119.2C53—C54—C55119.96 (18)
C7—C12—H12A119.2C53—C54—H54A120.0
P1—C13—P2117.58 (9)C55—C54—H54A120.0
P1—C13—H13A107.9C56—C55—C54120.26 (19)
P2—C13—H13A107.9C56—C55—H55A119.9
P1—C13—H13B107.9C54—C55—H55A119.9
P2—C13—H13B107.9C51—C56—C55118.70 (19)
H13A—C13—H13B107.2C51—C56—H56A120.6
C19—C14—C15118.84 (16)C55—C56—H56A120.6
C19—C14—P2119.06 (13)Cl3—C57—Cl2110.86 (13)
C15—C14—P2121.65 (13)Cl3—C57—Cl1110.23 (12)
C16—C15—C14118.45 (16)Cl2—C57—Cl1110.37 (12)
C16—C15—C28117.97 (16)Cl3—C57—H57A108.4
C14—C15—C28123.58 (16)Cl2—C57—H57A108.4
C17—C16—C15122.06 (17)Cl1—C57—H57A108.4
C17—C16—H16A119.0Cl5—C58—Cl4110.6 (3)
C15—C16—H16A119.0Cl5—C58—Cl6109.4 (2)
C16—C17—C18119.28 (17)Cl4—C58—Cl6108.3 (3)
C16—C17—H17A120.4Cl5—C58—H58A109.5
C18—C17—H17A120.4Cl4—C58—H58A109.5
C19—C18—C17119.70 (17)Cl6—C58—H58A109.5
C19—C18—H18A120.1
C30—Ru1—Ru2—C3347.0 (3)C2—C3—C4—C50.6 (3)
C32—Ru1—Ru2—C33119.1 (2)C3—C4—C5—C60.0 (3)
C31—Ru1—Ru2—C33−55.9 (2)C4—C5—C6—C1−0.3 (3)
P1—Ru1—Ru2—C33−146.1 (2)C2—C1—C6—C50.0 (3)
Ru3—Ru1—Ru2—C3324.7 (2)P1—C1—C6—C5176.86 (15)
C30—Ru1—Ru2—C34116.15 (19)C1—P1—C7—C12136.24 (15)
C32—Ru1—Ru2—C34−171.72 (8)C13—P1—C7—C1232.35 (16)
C31—Ru1—Ru2—C3413.27 (8)Ru1—P1—C7—C12−92.52 (15)
P1—Ru1—Ru2—C34−76.98 (6)C1—P1—C7—C8−50.30 (17)
Ru3—Ru1—Ru2—C3493.87 (6)C13—P1—C7—C8−154.19 (16)
C30—Ru1—Ru2—C35−57.86 (19)Ru1—P1—C7—C880.94 (16)
C32—Ru1—Ru2—C3514.28 (8)C12—C7—C8—C9−3.3 (3)
C31—Ru1—Ru2—C35−160.73 (8)P1—C7—C8—C9−176.75 (15)
P1—Ru1—Ru2—C35109.01 (6)C12—C7—C8—C27176.9 (2)
Ru3—Ru1—Ru2—C35−80.13 (6)P1—C7—C8—C273.5 (3)
C30—Ru1—Ru2—P2−147.82 (18)C7—C8—C9—C102.0 (3)
C32—Ru1—Ru2—P2−75.69 (6)C27—C8—C9—C10−178.2 (2)
C31—Ru1—Ru2—P2109.30 (6)C8—C9—C10—C110.7 (3)
P1—Ru1—Ru2—P219.050 (16)C9—C10—C11—C12−1.9 (3)
Ru3—Ru1—Ru2—P2−170.096 (12)C10—C11—C12—C70.5 (3)
C30—Ru1—Ru2—Ru322.28 (18)C8—C7—C12—C112.1 (3)
C32—Ru1—Ru2—Ru394.41 (6)P1—C7—C12—C11175.78 (16)
C31—Ru1—Ru2—Ru3−80.60 (6)C7—P1—C13—P2−109.17 (11)
P1—Ru1—Ru2—Ru3−170.855 (12)C1—P1—C13—P2141.51 (10)
C30—Ru1—Ru3—C385.81 (9)Ru1—P1—C13—P212.54 (12)
C32—Ru1—Ru3—C3897.50 (9)C14—P2—C13—P1−114.17 (11)
C31—Ru1—Ru3—C38−81.08 (9)C20—P2—C13—P1135.39 (11)
P1—Ru1—Ru3—C38−162.36 (7)Ru2—P2—C13—P16.53 (12)
Ru2—Ru1—Ru3—C38178.53 (7)C20—P2—C14—C19136.37 (14)
C30—Ru1—Ru3—C37−80.22 (8)C13—P2—C14—C1931.34 (16)
C32—Ru1—Ru3—C3711.47 (8)Ru2—P2—C14—C19−92.83 (14)
C31—Ru1—Ru3—C37−167.10 (8)C20—P2—C14—C15−51.51 (16)
P1—Ru1—Ru3—C37111.61 (6)C13—P2—C14—C15−156.53 (14)
Ru2—Ru1—Ru3—C3792.50 (6)Ru2—P2—C14—C1579.29 (15)
C30—Ru1—Ru3—C3697.98 (9)C19—C14—C15—C16−1.6 (3)
C32—Ru1—Ru3—C36−170.32 (9)P2—C14—C15—C16−173.70 (14)
C31—Ru1—Ru3—C3611.10 (9)C19—C14—C15—C28177.78 (17)
P1—Ru1—Ru3—C36−70.18 (7)P2—C14—C15—C285.6 (3)
Ru2—Ru1—Ru3—C36−89.29 (7)C14—C15—C16—C171.0 (3)
C30—Ru1—Ru3—P3−172.38 (7)C28—C15—C16—C17−178.40 (19)
C32—Ru1—Ru3—P3−80.69 (6)C15—C16—C17—C180.0 (3)
C31—Ru1—Ru3—P3100.73 (6)C16—C17—C18—C19−0.3 (3)
P1—Ru1—Ru3—P319.45 (4)C17—C18—C19—C14−0.3 (3)
Ru2—Ru1—Ru3—P30.34 (3)C15—C14—C19—C181.2 (3)
C30—Ru1—Ru3—Ru2−172.72 (6)P2—C14—C19—C18173.59 (15)
C32—Ru1—Ru3—Ru2−81.03 (5)C14—P2—C20—C25131.38 (14)
C31—Ru1—Ru3—Ru2100.39 (6)C13—P2—C20—C25−121.42 (15)
P1—Ru1—Ru3—Ru219.11 (3)Ru2—P2—C20—C255.38 (17)
C33—Ru2—Ru3—C38−177.9 (2)C14—P2—C20—C21−50.36 (18)
C34—Ru2—Ru3—C38−86.1 (2)C13—P2—C20—C2156.84 (17)
C35—Ru2—Ru3—C3894.9 (2)Ru2—P2—C20—C21−176.36 (13)
P2—Ru2—Ru3—C3816.5 (2)C25—C20—C21—C22−0.6 (3)
Ru1—Ru2—Ru3—C38−4.5 (2)P2—C20—C21—C22−178.81 (15)
C33—Ru2—Ru3—C3798.57 (8)C25—C20—C21—C29178.70 (19)
C34—Ru2—Ru3—C37−169.65 (8)P2—C20—C21—C290.5 (3)
C35—Ru2—Ru3—C3711.38 (8)C20—C21—C22—C230.5 (3)
P2—Ru2—Ru3—C37−67.04 (6)C29—C21—C22—C23−178.9 (2)
Ru1—Ru2—Ru3—C37−88.00 (6)C21—C22—C23—C240.0 (3)
C33—Ru2—Ru3—C36−81.92 (8)C22—C23—C24—C25−0.4 (3)
C34—Ru2—Ru3—C369.86 (8)C23—C24—C25—C200.2 (3)
C35—Ru2—Ru3—C36−169.11 (8)C21—C20—C25—C240.2 (3)
P2—Ru2—Ru3—C36112.47 (6)P2—C20—C25—C24178.59 (15)
Ru1—Ru2—Ru3—C3691.52 (6)C32—Ru1—C30—O1−103 (9)
C33—Ru2—Ru3—P36.71 (6)C31—Ru1—C30—O172 (9)
C34—Ru2—Ru3—P398.49 (6)P1—Ru1—C30—O1162 (9)
C35—Ru2—Ru3—P3−80.48 (6)Ru3—Ru1—C30—O1−12 (9)
P2—Ru2—Ru3—P3−158.90 (3)Ru2—Ru1—C30—O1−32 (10)
Ru1—Ru2—Ru3—P3−179.853 (13)C30—Ru1—C31—O230.3 (13)
C33—Ru2—Ru3—Ru1−173.44 (6)C32—Ru1—C31—O2116.5 (13)
C34—Ru2—Ru3—Ru1−81.65 (6)P1—Ru1—C31—O2−75.9 (13)
C35—Ru2—Ru3—Ru199.37 (5)Ru3—Ru1—C31—O2132.7 (13)
P2—Ru2—Ru3—Ru120.96 (3)Ru2—Ru1—C31—O2−168.3 (13)
C30—Ru1—P1—C7−88.09 (9)C30—Ru1—C32—O3−26.6 (14)
C32—Ru1—P1—C7178.69 (8)C31—Ru1—C32—O3−112.6 (15)
C31—Ru1—P1—C7−0.20 (8)P1—Ru1—C32—O379.9 (14)
Ru3—Ru1—P1—C779.86 (7)Ru3—Ru1—C32—O3−128.7 (14)
Ru2—Ru1—P1—C796.35 (6)Ru2—Ru1—C32—O3171.6 (14)
C30—Ru1—P1—C136.35 (9)C34—Ru2—C33—O479 (6)
C32—Ru1—P1—C1−56.87 (8)C35—Ru2—C33—O4−108 (6)
C31—Ru1—P1—C1124.24 (9)P2—Ru2—C33—O4−18 (6)
Ru3—Ru1—P1—C1−155.70 (6)Ru3—Ru2—C33—O4169 (100)
Ru2—Ru1—P1—C1−139.21 (7)Ru1—Ru2—C33—O4147 (6)
C30—Ru1—P1—C13155.03 (9)C33—Ru2—C34—O5−20.8 (15)
C32—Ru1—P1—C1361.81 (8)C35—Ru2—C34—O5−117.7 (15)
C31—Ru1—P1—C13−117.08 (9)P2—Ru2—C34—O581.2 (15)
Ru3—Ru1—P1—C13−37.02 (7)Ru3—Ru2—C34—O5−126.9 (15)
Ru2—Ru1—P1—C13−20.53 (7)Ru1—Ru2—C34—O5173.4 (15)
C33—Ru2—P2—C14−84.73 (8)C33—Ru2—C35—O628.4 (15)
C34—Ru2—P2—C14−177.93 (8)C34—Ru2—C35—O6125.5 (15)
C35—Ru2—P2—C144.15 (8)P2—Ru2—C35—O6−73.3 (15)
Ru3—Ru2—P2—C1481.15 (6)Ru3—Ru2—C35—O6134.7 (15)
Ru1—Ru2—P2—C1499.20 (6)Ru1—Ru2—C35—O6−166.3 (15)
C33—Ru2—P2—C2039.67 (9)C38—Ru3—C36—O7−51.3 (15)
C34—Ru2—P2—C20−53.53 (9)C37—Ru3—C36—O7−48 (3)
C35—Ru2—P2—C20128.55 (8)P3—Ru3—C36—O753.0 (15)
Ru3—Ru2—P2—C20−154.44 (6)Ru1—Ru3—C36—O7−152.4 (15)
Ru1—Ru2—P2—C20−136.40 (7)Ru2—Ru3—C36—O7147.4 (15)
C33—Ru2—P2—C13158.65 (9)C38—Ru3—C37—O839.4 (12)
C34—Ru2—P2—C1365.45 (9)C36—Ru3—C37—O836 (3)
C35—Ru2—P2—C13−112.47 (8)P3—Ru3—C37—O8−64.9 (12)
Ru3—Ru2—P2—C13−35.46 (7)Ru1—Ru3—C37—O8140.5 (12)
Ru1—Ru2—P2—C13−17.42 (7)Ru2—Ru3—C37—O8−159.4 (12)
C38—Ru3—P3—O11−134.82 (9)C37—Ru3—C38—O95 (3)
C37—Ru3—P3—O11−48.23 (8)C36—Ru3—C38—O9−175 (3)
C36—Ru3—P3—O11133.59 (9)P3—Ru3—C38—O996 (3)
Ru1—Ru3—P3—O1143.34 (8)Ru1—Ru3—C38—O9−83 (3)
Ru2—Ru3—P3—O1143.64 (6)Ru2—Ru3—C38—O9−79 (3)
C38—Ru3—P3—O10104.49 (9)P3—O10—C39—C4069.4 (2)
C37—Ru3—P3—O10−168.93 (8)P3—O10—C39—C44−112.13 (19)
C36—Ru3—P3—O1012.90 (9)C44—C39—C40—C411.8 (3)
Ru1—Ru3—P3—O10−77.35 (7)O10—C39—C40—C41−179.8 (2)
Ru2—Ru3—P3—O10−77.05 (6)C39—C40—C41—C42−1.3 (4)
C38—Ru3—P3—O12−16.47 (9)C40—C41—C42—C43−0.1 (4)
C37—Ru3—P3—O1270.12 (8)C41—C42—C43—C441.2 (4)
C36—Ru3—P3—O12−108.06 (9)C42—C43—C44—C39−0.7 (4)
Ru1—Ru3—P3—O12161.70 (6)C40—C39—C44—C43−0.7 (3)
Ru2—Ru3—P3—O12161.99 (6)O10—C39—C44—C43−179.2 (2)
O11—P3—O10—C3941.17 (17)P3—O11—C45—C50101.4 (2)
O12—P3—O10—C39−60.61 (16)P3—O11—C45—C46−84.0 (2)
Ru3—P3—O10—C39169.50 (13)C50—C45—C46—C47−1.1 (3)
O10—P3—O11—C45−101.64 (17)O11—C45—C46—C47−175.6 (2)
O12—P3—O11—C454.36 (18)C45—C46—C47—C480.2 (4)
Ru3—P3—O11—C45133.72 (15)C46—C47—C48—C490.7 (4)
O11—P3—O12—C51171.31 (14)C47—C48—C49—C50−0.6 (4)
O10—P3—O12—C51−82.04 (15)C46—C45—C50—C491.1 (3)
Ru3—P3—O12—C5143.10 (16)O11—C45—C50—C49175.58 (19)
C7—P1—C1—C6134.78 (14)C48—C49—C50—C45−0.3 (3)
C13—P1—C1—C6−119.06 (15)P3—O12—C51—C5244.4 (2)
Ru1—P1—C1—C67.96 (16)P3—O12—C51—C56−136.63 (14)
C7—P1—C1—C2−48.53 (18)C56—C51—C52—C532.5 (3)
C13—P1—C1—C257.63 (17)O12—C51—C52—C53−178.57 (17)
Ru1—P1—C1—C2−175.35 (13)C51—C52—C53—C54−1.4 (3)
C6—C1—C2—C30.6 (3)C52—C53—C54—C55−0.8 (3)
P1—C1—C2—C3−176.01 (15)C53—C54—C55—C562.0 (3)
C6—C1—C2—C26−179.09 (19)C52—C51—C56—C55−1.3 (3)
P1—C1—C2—C264.3 (3)O12—C51—C56—C55179.73 (16)
C1—C2—C3—C4−0.9 (3)C54—C55—C56—C51−1.0 (3)
C26—C2—C3—C4178.8 (2)
D—H···AD—HH···AD···AD—H···A
C42—H42A···O1i0.952.523.384 (3)151
C56—H56A···O8ii0.952.593.343 (3)136
Table 1

Selected bond lengths (Å)

Ru1—P12.3476 (5)
Ru2—P22.3538 (5)
Ru3—P32.2488 (5)
Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯ADAD—H⋯A
C42—H42A⋯O1i0.952.523.384 (3)151
C56—H56A⋯O8ii0.952.593.343 (3)136

Symmetry codes: (i) ; (ii) .

  4 in total

1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

2.  [μ-Bis(diphenyl-arsino)methane-1:2κAs:As']nona-carbonyl-1κC,2κC,3κC-[triphenyl-stibine-3κSb]-triangulo-triruthenium(0).

Authors:  Omar Bin Shawkataly; Imthyaz Ahmed Khan; Chin Sing Yeap; Hoong-Kun Fun
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-12-24

3.  [μ-Bis(di-o-tolyl-phosphan-yl)methane-1:2κP:P']deca-carbonyl-1κC,2κC,3κC-triangulo-triruthenium(0)-methanol (8/1).

Authors:  Omar Bin Shawkataly; Imthyaz Ahmed Khan; H A Hafiz Malik; Chin Sing Yeap; Hoong-Kun Fun
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-01-15

4.  Structure validation in chemical crystallography.

Authors:  Anthony L Spek
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-01-20
  4 in total
  1 in total

1.  (Benzyl-diphenyl-phosphane-1κP)[μ-bis(diphenylphosphan-yl)methane-2:3κ(2) P:P']nona-carbonyl-1κ(3) C,2κ(3) C,3κ(3) C-triangulo-triruthenium(0).

Authors:  Omar Bin Shawkataly; Imthyaz Ahmed Khan; Siti Syaida Sirat; Mohd Mustaqim Rosli
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2014-07-11
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