Literature DB >> 25249878

(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).

Omar Bin Shawkataly1, Imthyaz Ahmed Khan2, Siti Syaida Sirat1, Mohd Mustaqim Rosli3.   

Abstract

The asymmetric unit of the title compound, [Ru3(C19H17P)(C25H22P2)(CO)9], consists of two independent mol-ecules. The bis-(di-phenyl-phosphan-yl)methane ligand bridges an Ru-Ru bond and the benzyl-diphenyl-phosphane ligand binds to the third Ru atom. The Ru-Ru bond cis to the benzyl-diphenyl-phosphane ligand is the longest of the three Ru-Ru bonds in both mol-ecules. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming layers parallel to the ac plane. C-H⋯π contacts further stabilize the crystal packing.

Entities:  

Keywords:  crystal structure

Year:  2014        PMID: 25249878      PMCID: PMC4158507          DOI: 10.1107/S1600536814015475

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


Related literature

For general background to triruthenium complexes of the structural type [Ru3(CO)9(L–L)(L)] (where L–L is a bidentate ligand and L a monodentate ligand), see: Koutsantonis et al. (2002 ▶); Shawkataly et al. (1998 ▶, 2009 ▶, 2010 ▶, 2011 ▶, 2012 ▶). For the use of Group 15 ligands in stabilizing metal clusters, see: Bruce et al. (1988a ▶,b ▶). For a general method of preparation of ruthenium cluster phosphane derivatives, see: Bruce et al. (1983 ▶). For the stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986 ▶).

Experimental

Crystal data

[Ru3(C19H17P)(C25H22P2)(CO)9] M = 1215.96 Monoclinic, a = 13.4308 (2) Å b = 35.3969 (6) Å c = 20.6967 (3) Å β = 97.620 (1)° V = 9752.5 (3) Å3 Z = 8 Mo Kα radiation μ = 1.07 mm−1 T = 100 K 0.51 × 0.14 × 0.05 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2009 ▶) T min = 0.612, T max = 0.950 96674 measured reflections 22388 independent reflections 17595 reflections with I > 2σ(I) R int = 0.058

Refinement

R[F 2 > 2σ(F 2)] = 0.043 wR(F 2) = 0.089 S = 1.06 22388 reflections 1225 parameters H-atom parameters constrained Δρmax = 1.96 e Å−3 Δρmin = −0.61 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) I, New_Global_Publ_Block. DOI: 10.1107/S1600536814015475/sj5417sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536814015475/sj5417Isup2.hkl CCDC reference: 1011638 Additional supporting information: crystallographic information; 3D view; checkCIF report
[Ru3(C19H17P)(C25H22P2)(CO)9]F(000) = 4848
Mr = 1215.96Dx = 1.656 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 9920 reflections
a = 13.4308 (2) Åθ = 2.3–30.2°
b = 35.3969 (6) ŵ = 1.07 mm1
c = 20.6967 (3) ÅT = 100 K
β = 97.620 (1)°Plate, red
V = 9752.5 (3) Å30.51 × 0.14 × 0.05 mm
Z = 8
Bruker SMART APEXII CCD area-detector diffractometer22388 independent reflections
Radiation source: fine-focus sealed tube17595 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.058
φ and ω scansθmax = 27.5°, θmin = 1.2°
Absorption correction: multi-scan (SADABS; Bruker, 2009)h = −17→17
Tmin = 0.612, Tmax = 0.950k = −45→45
96674 measured reflectionsl = −26→26
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.043Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.089H-atom parameters constrained
S = 1.06w = 1/[σ2(Fo2) + (0.0272P)2 + 21.4411P] where P = (Fo2 + 2Fc2)/3
22388 reflections(Δ/σ)max = 0.002
1225 parametersΔρmax = 1.96 e Å3
0 restraintsΔρmin = −0.61 e Å3
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.
xyzUiso*/Ueq
Ru1A0.72460 (2)0.138334 (8)0.539334 (13)0.01007 (6)
Ru2A0.90993 (2)0.106019 (9)0.604698 (13)0.01080 (7)
Ru3A0.90419 (2)0.140114 (9)0.480298 (13)0.01118 (7)
P1A0.60626 (7)0.13535 (3)0.61229 (4)0.01132 (19)
P2A1.08419 (7)0.10615 (3)0.61365 (4)0.01167 (19)
P3A1.06732 (7)0.12496 (3)0.46467 (4)0.01180 (19)
O1A0.6812 (2)0.05736 (8)0.49014 (13)0.0190 (6)
O2A0.5845 (2)0.16919 (8)0.42524 (13)0.0232 (7)
O3A0.7657 (2)0.22181 (8)0.57580 (14)0.0213 (6)
O4A0.8945 (2)0.03101 (8)0.52916 (14)0.0283 (7)
O5A0.8844 (2)0.06222 (9)0.72792 (14)0.0279 (7)
O6A0.9021 (2)0.17726 (8)0.68794 (13)0.0188 (6)
O7A0.8433 (2)0.06813 (8)0.40158 (14)0.0249 (7)
O8A0.8176 (2)0.19088 (9)0.36830 (14)0.0294 (7)
O9A0.9857 (2)0.20861 (8)0.56152 (13)0.0198 (6)
C1A0.4736 (3)0.13267 (11)0.57326 (19)0.0165 (8)
H1AA0.42920.13720.60710.020*
H1AB0.46160.15330.54090.020*
C2A0.4433 (3)0.09552 (11)0.53939 (18)0.0154 (8)
C3A0.4421 (3)0.09125 (11)0.47277 (19)0.0167 (8)
H3AA0.46500.11130.44800.020*
C4A0.4077 (3)0.05795 (12)0.4416 (2)0.0233 (9)
H4AA0.40530.05560.39570.028*
C5A0.3770 (4)0.02826 (13)0.4777 (2)0.0284 (10)
H5AA0.35400.00550.45660.034*
C6A0.3798 (3)0.03178 (12)0.5446 (2)0.0267 (10)
H6AA0.35890.01140.56940.032*
C7A0.4132 (3)0.06505 (12)0.5750 (2)0.0206 (9)
H7AA0.41570.06720.62100.025*
C8A0.6067 (3)0.09785 (11)0.67336 (17)0.0135 (8)
C9A0.6511 (3)0.06318 (11)0.66451 (19)0.0168 (8)
H9AA0.68620.05940.62810.020*
C10A0.6446 (3)0.03396 (12)0.7085 (2)0.0204 (9)
H10A0.67470.01020.70190.025*
C11A0.5948 (3)0.03925 (12)0.76183 (19)0.0207 (9)
H11A0.59170.01940.79230.025*
C12A0.5492 (3)0.07369 (12)0.77108 (18)0.0203 (9)
H12A0.51440.07730.80770.024*
C13A0.5543 (3)0.10282 (12)0.72690 (18)0.0175 (8)
H13A0.52220.12620.73300.021*
C14A0.6054 (3)0.17780 (11)0.66222 (18)0.0148 (8)
C15A0.5429 (3)0.20827 (11)0.64259 (19)0.0185 (8)
H15A0.49710.20650.60360.022*
C16A0.5467 (3)0.24122 (12)0.6795 (2)0.0226 (9)
H16A0.50300.26160.66600.027*
C17A0.6145 (3)0.24419 (12)0.7359 (2)0.0232 (9)
H17A0.61740.26670.76100.028*
C18A0.6780 (3)0.21432 (12)0.75574 (19)0.0201 (9)
H18A0.72470.21640.79430.024*
C19A0.6731 (3)0.18144 (12)0.71899 (18)0.0172 (8)
H19A0.71670.16100.73280.021*
C20A0.7031 (3)0.08688 (11)0.51039 (17)0.0140 (8)
C21A0.6377 (3)0.15730 (11)0.46847 (18)0.0143 (8)
C22A0.7568 (3)0.19032 (11)0.56464 (18)0.0155 (8)
C23A0.8975 (3)0.06004 (12)0.55399 (19)0.0186 (9)
C24A0.8915 (3)0.07910 (11)0.68156 (19)0.0169 (8)
C25A0.9020 (3)0.15224 (11)0.65249 (18)0.0153 (8)
C26A0.8625 (3)0.09425 (12)0.43299 (18)0.0167 (8)
C27A0.8528 (3)0.17142 (12)0.40919 (18)0.0185 (9)
C28A0.9525 (3)0.18268 (11)0.53423 (17)0.0154 (8)
C29A1.1497 (3)0.06687 (11)0.65981 (17)0.0131 (8)
C30A1.2479 (3)0.07002 (12)0.69070 (18)0.0163 (8)
H30A1.28270.09330.68920.020*
C31A1.2954 (3)0.03952 (12)0.72368 (19)0.0200 (9)
H31A1.36210.04220.74510.024*
C32A1.2467 (3)0.00529 (12)0.72574 (19)0.0204 (9)
H32A1.2798−0.01560.74800.024*
C33A1.1490 (3)0.00165 (11)0.69510 (18)0.0180 (8)
H33A1.1149−0.02180.69640.022*
C34A1.1006 (3)0.03221 (11)0.66248 (18)0.0173 (8)
H34A1.03350.02950.64180.021*
C35A1.1490 (3)0.14688 (11)0.65245 (18)0.0136 (8)
C36A1.2073 (3)0.17161 (12)0.62093 (19)0.0187 (9)
H36A1.21400.16770.57630.022*
C37A1.2559 (3)0.20199 (12)0.6542 (2)0.0240 (9)
H37A1.29440.21890.63190.029*
C38A1.2487 (3)0.20764 (12)0.7193 (2)0.0241 (10)
H38A1.28270.22820.74190.029*
C39A1.1913 (3)0.18314 (12)0.75164 (19)0.0205 (9)
H39A1.18690.18670.79670.025*
C40A1.1408 (3)0.15377 (11)0.71835 (18)0.0174 (8)
H40A1.09960.13780.74040.021*
C41A1.1356 (3)0.09986 (11)0.53572 (16)0.0139 (8)
H41A1.13600.07250.52560.017*
H41B1.20630.10860.54170.017*
C42A1.1501 (3)0.16317 (11)0.44539 (17)0.0147 (8)
C43A1.1139 (3)0.19955 (11)0.43306 (18)0.0168 (8)
H43A1.04570.20510.43680.020*
C44A1.1767 (3)0.22808 (12)0.41526 (19)0.0192 (9)
H44A1.15110.25290.40670.023*
C45A1.2761 (3)0.22019 (12)0.41019 (19)0.0210 (9)
H45A1.31940.23970.39920.025*
C46A1.3126 (3)0.18380 (13)0.4211 (2)0.0252 (10)
H46A1.38060.17830.41680.030*
C47A1.2500 (3)0.15534 (12)0.43837 (19)0.0204 (9)
H47A1.27530.13040.44540.024*
C48A1.0805 (3)0.09275 (11)0.39672 (18)0.0150 (8)
C49A1.0541 (3)0.10695 (13)0.33411 (19)0.0235 (9)
H49A1.03230.13240.32860.028*
C50A1.0591 (4)0.08461 (14)0.2798 (2)0.0287 (11)
H50A1.04120.09480.23740.034*
C51A1.0902 (3)0.04710 (14)0.2872 (2)0.0276 (10)
H51A1.09220.03150.25010.033*
C52A1.1182 (4)0.03287 (13)0.3491 (2)0.0266 (10)
H52A1.14130.00760.35440.032*
C53A1.1128 (3)0.05540 (12)0.4039 (2)0.0218 (9)
H53A1.13120.04520.44630.026*
Ru1B0.95027 (2)0.141361 (8)0.065726 (13)0.00935 (6)
Ru2B0.77097 (2)0.149707 (9)0.124216 (13)0.01061 (7)
Ru3B0.75930 (2)0.114774 (8)−0.000365 (13)0.01013 (6)
P1B1.06230 (7)0.13458 (3)−0.01102 (4)0.01099 (19)
P2B0.60760 (7)0.13624 (3)0.14157 (4)0.01093 (19)
P3B0.58565 (7)0.11496 (3)−0.00632 (4)0.01164 (19)
O1B0.9909 (2)0.06047 (8)0.11646 (13)0.0166 (6)
O2B1.0914 (2)0.16740 (8)0.18338 (13)0.0228 (6)
O3B0.9172 (2)0.22463 (8)0.02485 (13)0.0197 (6)
O4B0.8322 (2)0.07807 (9)0.20321 (14)0.0254 (7)
O5B0.8601 (2)0.20092 (9)0.23486 (14)0.0299 (8)
O6B0.6945 (2)0.21945 (8)0.04407 (13)0.0218 (6)
O7N0.7780 (2)0.03940 (8)0.07390 (14)0.0248 (7)
O8B0.7763 (2)0.07413 (9)−0.12786 (14)0.0269 (7)
O9B0.7655 (2)0.18688 (8)−0.08184 (13)0.0187 (6)
C1B1.1966 (3)0.12882 (11)0.02456 (18)0.0165 (8)
H1BA1.23880.1287−0.01120.020*
H1BB1.21700.15080.05280.020*
C2B1.2164 (3)0.09327 (11)0.06379 (18)0.0153 (8)
C3B1.2189 (3)0.05801 (12)0.0341 (2)0.0197 (9)
H3BA1.21440.0564−0.01200.024*
C4B1.2277 (3)0.02531 (12)0.0709 (2)0.0251 (10)
H4BA1.22540.00150.04970.030*
C5B1.2400 (3)0.02696 (13)0.1386 (2)0.0249 (10)
H5BA1.24560.00440.16370.030*
C6B1.2438 (3)0.06168 (13)0.1687 (2)0.0239 (10)
H6BA1.25560.06320.21490.029*
C7B1.2304 (3)0.09446 (12)0.13185 (19)0.0182 (8)
H7BA1.23090.11820.15330.022*
C8B1.0501 (3)0.09557 (11)−0.06920 (18)0.0133 (8)
C9B1.0016 (3)0.06219 (11)−0.05504 (18)0.0147 (8)
H9BA0.96630.0613−0.01820.018*
C10B1.0042 (3)0.03033 (12)−0.09388 (19)0.0183 (8)
H10B0.97240.0077−0.08300.022*
C11B1.0535 (3)0.03176 (12)−0.14880 (19)0.0204 (9)
H11B1.05540.0100−0.17550.024*
C12B1.1000 (3)0.06507 (12)−0.16466 (18)0.0188 (9)
H12B1.13200.0663−0.20290.023*
C13B1.0996 (3)0.09638 (12)−0.12477 (17)0.0160 (8)
H13B1.13330.1187−0.13510.019*
C14B1.0666 (3)0.17601 (11)−0.06273 (18)0.0144 (8)
C15B0.9946 (3)0.18015 (11)−0.11765 (18)0.0161 (8)
H15B0.94860.1602−0.12980.019*
C16B0.9894 (3)0.21294 (12)−0.15472 (19)0.0199 (9)
H16B0.94000.2153−0.19190.024*
C17B1.0561 (3)0.24223 (12)−0.1375 (2)0.0229 (9)
H17B1.05230.2648−0.16260.028*
C18B1.1283 (3)0.23856 (12)−0.0836 (2)0.0240 (9)
H18B1.17460.2585−0.07200.029*
C19B1.1334 (3)0.20558 (12)−0.0461 (2)0.0210 (9)
H19B1.18280.2033−0.00900.025*
C20B0.9702 (3)0.08984 (11)0.09573 (17)0.0121 (8)
C21B1.0387 (3)0.15807 (10)0.13762 (18)0.0139 (8)
C22B0.9234 (3)0.19355 (11)0.03834 (18)0.0147 (8)
C23B0.8131 (3)0.10392 (12)0.17163 (19)0.0189 (9)
C24B0.8253 (3)0.18124 (12)0.19488 (18)0.0173 (8)
C25B0.7259 (3)0.19271 (12)0.07068 (18)0.0157 (8)
C26B0.7733 (3)0.06860 (12)0.04949 (18)0.0173 (8)
C27B0.7730 (3)0.08942 (11)−0.07923 (19)0.0167 (8)
C28B0.7662 (3)0.16171 (11)−0.04736 (17)0.0145 (8)
C29B0.5948 (3)0.10651 (11)0.21202 (17)0.0134 (8)
C30B0.5342 (3)0.07484 (12)0.21128 (19)0.0217 (9)
H30B0.49640.06690.17150.026*
C31B0.5280 (4)0.05449 (13)0.2683 (2)0.0283 (10)
H31B0.48750.03240.26700.034*
C32B0.5804 (3)0.06624 (13)0.3264 (2)0.0259 (10)
H32B0.57660.05210.36510.031*
C33B0.6382 (3)0.09836 (13)0.32857 (19)0.0233 (9)
H33B0.67300.10670.36900.028*
C34B0.6458 (3)0.11862 (12)0.27211 (17)0.0183 (8)
H34B0.68580.14080.27410.022*
C35B0.5234 (3)0.17437 (11)0.15831 (17)0.0124 (7)
C36B0.4232 (3)0.16650 (12)0.1637 (2)0.0189 (8)
H36B0.39840.14150.15630.023*
C37B0.3592 (3)0.19484 (12)0.17970 (19)0.0207 (9)
H37B0.29090.18920.18290.025*
C38B0.3950 (3)0.23121 (12)0.19101 (18)0.0175 (8)
H38B0.35100.25070.20140.021*
C39B0.4948 (3)0.23925 (11)0.18723 (18)0.0170 (8)
H39B0.51970.26410.19600.020*
C40B0.5586 (3)0.21108 (11)0.17060 (17)0.0150 (8)
H40B0.62690.21690.16760.018*
C41B0.5392 (3)0.10925 (11)0.07339 (17)0.0121 (7)
H41C0.46770.11690.06840.015*
H41D0.54230.08210.08510.015*
C42B0.5198 (3)0.15548 (11)−0.04562 (18)0.0145 (8)
C43B0.4648 (3)0.18089 (12)−0.01374 (19)0.0192 (9)
H43B0.45980.17740.03120.023*
C44B0.4166 (3)0.21164 (12)−0.0470 (2)0.0251 (10)
H44B0.38010.2291−0.02450.030*
C45B0.4223 (3)0.21653 (12)−0.1132 (2)0.0240 (9)
H45B0.38870.2371−0.13620.029*
C46B0.4773 (3)0.19118 (12)−0.1454 (2)0.0228 (9)
H46B0.48120.1944−0.19050.027*
C47B0.5265 (3)0.16125 (12)−0.11224 (18)0.0181 (8)
H47B0.56510.1444−0.13460.022*
C48B0.5174 (3)0.07522 (11)−0.04912 (17)0.0135 (8)
C49B0.4157 (3)0.07783 (12)−0.07362 (19)0.0198 (9)
H49B0.38090.1010−0.07020.024*
C50B0.3648 (3)0.04685 (13)−0.1030 (2)0.0240 (10)
H50B0.29580.0490−0.12000.029*
C51B0.4146 (3)0.01286 (12)−0.10756 (18)0.0217 (9)
H51B0.3797−0.0083−0.12780.026*
C52B0.5151 (3)0.00967 (12)−0.08257 (19)0.0198 (9)
H52B0.5493−0.0136−0.08530.024*
C53B0.5654 (3)0.04081 (11)−0.05346 (18)0.0164 (8)
H53B0.63430.0385−0.03610.020*
U11U22U33U12U13U23
Ru1A0.00897 (15)0.01017 (14)0.01122 (13)0.00034 (12)0.00190 (11)0.00117 (11)
Ru2A0.00956 (15)0.01208 (15)0.01064 (13)0.00028 (12)0.00093 (11)0.00143 (11)
Ru3A0.00985 (15)0.01421 (15)0.00964 (13)0.00038 (12)0.00186 (11)0.00057 (11)
P1A0.0110 (5)0.0106 (5)0.0127 (4)0.0003 (4)0.0029 (4)0.0005 (4)
P2A0.0109 (5)0.0128 (5)0.0112 (4)0.0015 (4)0.0011 (4)0.0002 (4)
P3A0.0104 (5)0.0156 (5)0.0096 (4)0.0007 (4)0.0022 (4)−0.0001 (4)
O1A0.0198 (16)0.0153 (15)0.0220 (14)−0.0020 (12)0.0030 (12)−0.0018 (12)
O2A0.0228 (16)0.0214 (16)0.0227 (15)0.0000 (13)−0.0069 (13)0.0055 (12)
O3A0.0196 (16)0.0150 (16)0.0291 (16)−0.0028 (12)0.0020 (12)−0.0020 (12)
O4A0.038 (2)0.0155 (16)0.0276 (16)0.0026 (14)−0.0094 (14)−0.0023 (13)
O5A0.0244 (17)0.0380 (19)0.0213 (15)−0.0017 (15)0.0032 (13)0.0149 (14)
O6A0.0179 (15)0.0184 (15)0.0199 (14)0.0009 (12)0.0020 (11)−0.0039 (12)
O7A0.0243 (17)0.0259 (17)0.0249 (15)−0.0053 (14)0.0051 (13)−0.0101 (13)
O8A0.0332 (19)0.0349 (19)0.0187 (15)0.0028 (15)−0.0019 (13)0.0114 (13)
O9A0.0217 (16)0.0200 (15)0.0182 (14)−0.0043 (13)0.0051 (12)−0.0042 (12)
C1A0.014 (2)0.016 (2)0.0205 (19)0.0014 (16)0.0052 (15)0.0004 (15)
C2A0.0095 (19)0.015 (2)0.0205 (19)0.0022 (16)−0.0017 (15)−0.0025 (15)
C3A0.013 (2)0.016 (2)0.0214 (19)−0.0024 (16)0.0018 (15)0.0036 (16)
C4A0.024 (2)0.027 (2)0.019 (2)0.0002 (19)0.0020 (17)−0.0041 (17)
C5A0.030 (3)0.018 (2)0.035 (2)−0.008 (2)−0.002 (2)−0.0049 (19)
C6A0.028 (3)0.020 (2)0.031 (2)−0.006 (2)0.0000 (19)0.0075 (18)
C7A0.018 (2)0.022 (2)0.021 (2)−0.0025 (18)0.0010 (16)0.0032 (17)
C8A0.0101 (19)0.016 (2)0.0148 (17)−0.0020 (15)0.0023 (14)0.0031 (15)
C9A0.013 (2)0.020 (2)0.0181 (19)−0.0003 (16)0.0014 (15)0.0014 (16)
C10A0.017 (2)0.016 (2)0.028 (2)−0.0006 (17)0.0022 (17)0.0075 (17)
C11A0.019 (2)0.024 (2)0.0180 (19)−0.0058 (18)−0.0014 (16)0.0110 (17)
C12A0.019 (2)0.029 (2)0.0134 (18)−0.0091 (18)0.0045 (16)0.0018 (16)
C13A0.016 (2)0.017 (2)0.0198 (19)−0.0015 (17)0.0025 (16)−0.0007 (16)
C14A0.014 (2)0.017 (2)0.0146 (18)−0.0007 (16)0.0071 (15)0.0016 (15)
C15A0.016 (2)0.019 (2)0.0190 (19)−0.0011 (17)−0.0011 (16)−0.0022 (16)
C16A0.026 (2)0.015 (2)0.027 (2)0.0027 (18)0.0039 (18)−0.0008 (17)
C17A0.031 (3)0.018 (2)0.022 (2)−0.0072 (19)0.0099 (18)−0.0029 (17)
C18A0.023 (2)0.022 (2)0.0161 (19)−0.0070 (18)0.0033 (16)−0.0006 (16)
C19A0.015 (2)0.019 (2)0.0177 (18)−0.0018 (17)0.0042 (16)0.0008 (16)
C20A0.0106 (19)0.018 (2)0.0134 (17)0.0028 (16)0.0025 (14)0.0055 (15)
C21A0.014 (2)0.0130 (19)0.0168 (18)−0.0048 (16)0.0033 (15)0.0021 (15)
C22A0.0089 (19)0.020 (2)0.0185 (19)−0.0004 (16)0.0030 (15)0.0009 (16)
C23A0.016 (2)0.019 (2)0.0192 (19)0.0020 (17)−0.0052 (16)0.0045 (16)
C24A0.0097 (19)0.017 (2)0.023 (2)−0.0013 (16)0.0003 (15)−0.0001 (16)
C25A0.0106 (19)0.019 (2)0.0165 (18)−0.0004 (16)0.0037 (15)0.0039 (16)
C26A0.012 (2)0.021 (2)0.0161 (18)−0.0015 (17)0.0002 (15)0.0035 (16)
C27A0.015 (2)0.024 (2)0.0165 (19)−0.0024 (17)0.0014 (16)−0.0023 (16)
C28A0.014 (2)0.020 (2)0.0128 (17)0.0027 (17)0.0052 (15)0.0014 (15)
C29A0.0124 (19)0.018 (2)0.0094 (16)0.0042 (16)0.0029 (14)−0.0008 (14)
C30A0.011 (2)0.023 (2)0.0147 (18)0.0014 (17)0.0003 (15)0.0046 (16)
C31A0.011 (2)0.028 (2)0.0195 (19)0.0039 (17)−0.0011 (16)0.0028 (17)
C32A0.020 (2)0.023 (2)0.0173 (19)0.0104 (18)0.0020 (16)0.0024 (16)
C33A0.024 (2)0.012 (2)0.0179 (18)0.0007 (17)0.0040 (17)0.0003 (15)
C34A0.017 (2)0.020 (2)0.0145 (18)0.0029 (17)−0.0021 (15)0.0000 (15)
C35A0.0078 (18)0.014 (2)0.0176 (18)0.0028 (15)−0.0023 (14)0.0010 (15)
C36A0.018 (2)0.022 (2)0.0154 (18)−0.0035 (17)0.0001 (16)0.0003 (16)
C37A0.021 (2)0.022 (2)0.028 (2)−0.0048 (19)−0.0021 (18)0.0035 (18)
C38A0.021 (2)0.018 (2)0.030 (2)−0.0005 (18)−0.0088 (18)−0.0076 (18)
C39A0.020 (2)0.022 (2)0.0180 (19)0.0032 (18)−0.0036 (16)−0.0034 (16)
C40A0.014 (2)0.020 (2)0.0184 (19)0.0012 (17)0.0014 (15)−0.0003 (16)
C41A0.0129 (19)0.017 (2)0.0110 (17)0.0055 (16)−0.0018 (14)−0.0007 (14)
C42A0.014 (2)0.018 (2)0.0115 (17)−0.0034 (16)0.0016 (14)−0.0012 (15)
C43A0.018 (2)0.019 (2)0.0146 (18)−0.0014 (17)0.0055 (15)−0.0015 (15)
C44A0.021 (2)0.017 (2)0.0195 (19)−0.0007 (17)0.0017 (16)0.0013 (16)
C45A0.019 (2)0.023 (2)0.021 (2)−0.0054 (18)0.0031 (17)0.0042 (17)
C46A0.013 (2)0.032 (3)0.032 (2)−0.0008 (19)0.0058 (18)0.0072 (19)
C47A0.013 (2)0.023 (2)0.025 (2)0.0018 (17)0.0042 (16)0.0086 (17)
C48A0.0092 (19)0.021 (2)0.0152 (18)−0.0027 (16)0.0044 (14)−0.0032 (15)
C49A0.027 (2)0.024 (2)0.0185 (19)−0.0018 (19)0.0008 (17)−0.0018 (17)
C50A0.034 (3)0.040 (3)0.0118 (19)−0.006 (2)0.0017 (18)−0.0033 (18)
C51A0.025 (2)0.037 (3)0.023 (2)−0.014 (2)0.0118 (18)−0.0149 (19)
C52A0.032 (3)0.021 (2)0.029 (2)−0.002 (2)0.010 (2)−0.0087 (18)
C53A0.026 (2)0.020 (2)0.019 (2)0.0025 (18)0.0031 (17)−0.0038 (16)
Ru1B0.00733 (14)0.00995 (14)0.01097 (13)−0.00050 (12)0.00192 (11)−0.00086 (11)
Ru2B0.00823 (15)0.01379 (15)0.01019 (13)−0.00051 (12)0.00259 (11)−0.00082 (11)
Ru3B0.00708 (14)0.01262 (15)0.01073 (13)−0.00025 (12)0.00130 (11)−0.00110 (11)
P1B0.0095 (5)0.0114 (5)0.0126 (4)−0.0003 (4)0.0033 (4)−0.0003 (4)
P2B0.0091 (5)0.0128 (5)0.0111 (4)−0.0002 (4)0.0023 (3)−0.0013 (4)
P3B0.0083 (5)0.0148 (5)0.0120 (4)−0.0001 (4)0.0019 (4)−0.0011 (4)
O1B0.0151 (15)0.0147 (15)0.0200 (13)0.0003 (12)0.0019 (11)0.0014 (11)
O2B0.0235 (17)0.0186 (15)0.0239 (15)0.0002 (13)−0.0057 (13)−0.0056 (12)
O3B0.0211 (16)0.0133 (15)0.0245 (15)0.0024 (12)0.0022 (12)0.0033 (11)
O4B0.0240 (17)0.0272 (17)0.0271 (16)0.0105 (14)0.0111 (13)0.0122 (13)
O5B0.0311 (19)0.0370 (19)0.0211 (15)−0.0134 (15)0.0013 (14)−0.0114 (14)
O6B0.0259 (17)0.0207 (16)0.0203 (14)0.0053 (13)0.0083 (12)0.0021 (12)
O7N0.0214 (17)0.0198 (16)0.0310 (16)−0.0047 (13)−0.0042 (13)0.0085 (13)
O8B0.0246 (17)0.0347 (18)0.0207 (15)0.0043 (14)0.0003 (13)−0.0118 (13)
O9B0.0195 (16)0.0186 (15)0.0186 (14)0.0002 (12)0.0051 (12)0.0037 (12)
C1B0.0097 (19)0.022 (2)0.0188 (19)−0.0005 (16)0.0058 (15)0.0009 (16)
C2B0.0046 (18)0.021 (2)0.0197 (19)0.0015 (16)0.0004 (14)0.0037 (16)
C3B0.013 (2)0.024 (2)0.021 (2)0.0057 (17)0.0009 (16)0.0009 (17)
C4B0.022 (2)0.017 (2)0.035 (2)0.0064 (18)0.0004 (19)−0.0015 (18)
C5B0.016 (2)0.024 (2)0.033 (2)0.0043 (19)−0.0023 (18)0.0127 (19)
C6B0.013 (2)0.034 (3)0.023 (2)0.0000 (19)−0.0009 (17)0.0076 (18)
C7B0.011 (2)0.020 (2)0.024 (2)−0.0015 (16)0.0017 (16)−0.0014 (16)
C8B0.0090 (18)0.0139 (19)0.0168 (18)0.0026 (15)0.0008 (14)−0.0032 (15)
C9B0.013 (2)0.016 (2)0.0156 (18)0.0018 (16)0.0027 (15)−0.0030 (15)
C10B0.016 (2)0.017 (2)0.0214 (19)−0.0011 (17)0.0030 (16)−0.0024 (16)
C11B0.023 (2)0.019 (2)0.0188 (19)0.0035 (18)0.0017 (17)−0.0085 (16)
C12B0.020 (2)0.021 (2)0.0158 (18)0.0078 (18)0.0043 (16)0.0002 (16)
C13B0.014 (2)0.021 (2)0.0136 (17)0.0027 (16)0.0025 (15)0.0014 (15)
C14B0.015 (2)0.0133 (19)0.0171 (18)0.0009 (16)0.0095 (15)−0.0014 (15)
C15B0.015 (2)0.017 (2)0.0178 (18)0.0011 (16)0.0057 (15)−0.0012 (15)
C16B0.025 (2)0.019 (2)0.0161 (19)0.0040 (18)0.0054 (17)0.0016 (16)
C17B0.033 (3)0.014 (2)0.023 (2)0.0043 (19)0.0083 (18)0.0064 (16)
C18B0.031 (3)0.012 (2)0.031 (2)−0.0040 (18)0.0067 (19)−0.0003 (17)
C19B0.022 (2)0.019 (2)0.022 (2)0.0002 (18)0.0037 (17)0.0029 (16)
C20B0.0060 (18)0.018 (2)0.0129 (17)−0.0021 (15)0.0031 (14)−0.0045 (15)
C21B0.0114 (19)0.0097 (19)0.0207 (19)0.0018 (15)0.0024 (15)0.0018 (15)
C22B0.0109 (19)0.019 (2)0.0144 (17)0.0001 (16)0.0020 (14)−0.0029 (15)
C23B0.014 (2)0.026 (2)0.0183 (19)0.0020 (18)0.0072 (16)−0.0007 (17)
C24B0.015 (2)0.023 (2)0.0152 (18)−0.0013 (17)0.0059 (15)0.0025 (16)
C25B0.014 (2)0.020 (2)0.0133 (17)−0.0025 (17)0.0058 (15)−0.0050 (16)
C26B0.0081 (19)0.025 (2)0.0166 (18)−0.0008 (17)−0.0045 (15)−0.0023 (16)
C27B0.012 (2)0.018 (2)0.0202 (19)0.0009 (16)0.0006 (15)−0.0009 (16)
C28B0.0090 (19)0.021 (2)0.0136 (17)0.0016 (16)0.0030 (14)−0.0054 (16)
C29B0.0126 (19)0.018 (2)0.0098 (16)0.0030 (16)0.0028 (14)0.0000 (14)
C30B0.025 (2)0.023 (2)0.0183 (19)−0.0064 (19)0.0064 (17)−0.0014 (17)
C31B0.037 (3)0.022 (2)0.029 (2)−0.008 (2)0.012 (2)0.0029 (18)
C32B0.027 (3)0.033 (3)0.020 (2)0.007 (2)0.0095 (18)0.0100 (18)
C33B0.023 (2)0.034 (3)0.0148 (19)0.007 (2)0.0065 (17)−0.0001 (17)
C34B0.019 (2)0.024 (2)0.0122 (17)−0.0008 (18)0.0021 (15)−0.0021 (16)
C35B0.0109 (19)0.0154 (19)0.0110 (16)0.0016 (15)0.0015 (14)−0.0013 (14)
C36B0.010 (2)0.017 (2)0.030 (2)−0.0030 (16)0.0041 (16)−0.0029 (17)
C37B0.014 (2)0.025 (2)0.023 (2)0.0010 (18)0.0033 (16)−0.0052 (17)
C38B0.017 (2)0.022 (2)0.0148 (18)0.0059 (17)0.0040 (15)−0.0011 (15)
C39B0.021 (2)0.016 (2)0.0142 (18)0.0003 (17)0.0033 (16)0.0002 (15)
C40B0.014 (2)0.019 (2)0.0126 (17)−0.0008 (16)0.0035 (15)−0.0007 (15)
C41B0.0099 (18)0.0121 (19)0.0144 (17)−0.0014 (15)0.0019 (14)−0.0029 (14)
C42B0.0064 (18)0.016 (2)0.0203 (19)−0.0024 (15)0.0000 (15)0.0012 (15)
C43B0.017 (2)0.022 (2)0.0179 (19)0.0037 (17)−0.0015 (16)0.0005 (16)
C44B0.024 (2)0.020 (2)0.030 (2)0.0069 (19)−0.0017 (19)−0.0061 (18)
C45B0.019 (2)0.022 (2)0.028 (2)0.0027 (18)−0.0069 (18)0.0061 (18)
C46B0.015 (2)0.030 (2)0.022 (2)−0.0023 (18)−0.0009 (17)0.0073 (18)
C47B0.016 (2)0.022 (2)0.0158 (18)−0.0009 (17)0.0030 (15)0.0023 (16)
C48B0.0107 (19)0.019 (2)0.0112 (17)−0.0039 (16)0.0023 (14)0.0002 (14)
C49B0.012 (2)0.028 (2)0.0201 (19)0.0000 (17)0.0018 (16)−0.0043 (17)
C50B0.011 (2)0.038 (3)0.023 (2)−0.0025 (19)0.0021 (17)−0.0066 (19)
C51B0.024 (2)0.026 (2)0.0152 (19)−0.0090 (19)0.0030 (17)−0.0040 (16)
C52B0.021 (2)0.020 (2)0.0184 (19)−0.0043 (18)0.0017 (16)−0.0007 (16)
C53B0.012 (2)0.019 (2)0.0169 (18)−0.0037 (16)−0.0018 (15)−0.0010 (15)
Ru1A—C21A1.873 (4)Ru1B—C21B1.873 (4)
Ru1A—C20A1.927 (4)Ru1B—C20B1.934 (4)
Ru1A—C22A1.946 (4)Ru1B—C22B1.952 (4)
Ru1A—P1A2.3353 (10)Ru1B—P1B2.3406 (10)
Ru1A—Ru3A2.8454 (4)Ru1B—Ru2B2.8504 (4)
Ru1A—Ru2A2.9054 (4)Ru1B—Ru3B2.8992 (4)
Ru2A—C24A1.898 (4)Ru2B—C24B1.906 (4)
Ru2A—C25A1.922 (4)Ru2B—C25B1.932 (4)
Ru2A—C23A1.932 (4)Ru2B—C23B1.940 (4)
Ru2A—P2A2.3232 (10)Ru2B—P2B2.3195 (10)
Ru2A—Ru3A2.8353 (4)Ru2B—Ru3B2.8451 (4)
Ru3A—C27A1.898 (4)Ru3B—C27B1.893 (4)
Ru3A—C28A1.935 (4)Ru3B—C26B1.929 (4)
Ru3A—C26A1.940 (4)Ru3B—C28B1.933 (4)
Ru3A—P3A2.3196 (10)Ru3B—P3B2.3191 (10)
P1A—C14A1.825 (4)P1B—C14B1.821 (4)
P1A—C8A1.832 (4)P1B—C8B1.825 (4)
P1A—C1A1.859 (4)P1B—C1B1.867 (4)
P2A—C35A1.815 (4)P2B—C35B1.823 (4)
P2A—C29A1.843 (4)P2B—C29B1.825 (4)
P2A—C41A1.850 (4)P2B—C41B1.845 (4)
P3A—C42A1.828 (4)P3B—C42B1.820 (4)
P3A—C48A1.837 (4)P3B—C48B1.841 (4)
P3A—C41A1.854 (4)P3B—C41B1.850 (4)
O1A—C20A1.150 (5)O1B—C20B1.145 (4)
O2A—C21A1.149 (4)O2B—C21B1.153 (5)
O3A—C22A1.141 (5)O3B—C22B1.136 (5)
O4A—C23A1.147 (5)O4B—C23B1.134 (5)
O5A—C24A1.145 (5)O5B—C24B1.134 (5)
O6A—C25A1.150 (5)O6B—C25B1.147 (5)
O7A—C26A1.140 (5)O7N—C26B1.148 (5)
O8A—C27A1.144 (5)O8B—C27B1.149 (5)
O9A—C28A1.138 (5)O9B—C28B1.141 (5)
C1A—C2A1.520 (5)C1B—C2B1.502 (5)
C1A—H1AA0.9900C1B—H1BA0.9900
C1A—H1AB0.9900C1B—H1BB0.9900
C2A—C3A1.385 (5)C2B—C3B1.393 (6)
C2A—C7A1.397 (5)C2B—C7B1.397 (5)
C3A—C4A1.392 (6)C3B—C4B1.382 (6)
C3A—H3AA0.9500C3B—H3BA0.9500
C4A—C5A1.383 (6)C4B—C5B1.389 (6)
C4A—H4AA0.9500C4B—H4BA0.9500
C5A—C6A1.385 (6)C5B—C6B1.376 (6)
C5A—H5AA0.9500C5B—H5BA0.9500
C6A—C7A1.382 (6)C6B—C7B1.387 (6)
C6A—H6AA0.9500C6B—H6BA0.9500
C7A—H7AA0.9500C7B—H7BA0.9500
C8A—C9A1.388 (5)C8B—C9B1.399 (5)
C8A—C13A1.400 (5)C8B—C13B1.403 (5)
C9A—C10A1.389 (5)C9B—C10B1.388 (5)
C9A—H9AA0.9500C9B—H9BA0.9500
C10A—C11A1.376 (6)C10B—C11B1.390 (5)
C10A—H10A0.9500C10B—H10B0.9500
C11A—C12A1.389 (6)C11B—C12B1.394 (6)
C11A—H11A0.9500C11B—H11B0.9500
C12A—C13A1.386 (5)C12B—C13B1.382 (5)
C12A—H12A0.9500C12B—H12B0.9500
C13A—H13A0.9500C13B—H13B0.9500
C14A—C19A1.393 (5)C14B—C19B1.391 (6)
C14A—C15A1.394 (6)C14B—C15B1.399 (5)
C15A—C16A1.391 (5)C15B—C16B1.388 (5)
C15A—H15A0.9500C15B—H15B0.9500
C16A—C17A1.386 (6)C16B—C17B1.386 (6)
C16A—H16A0.9500C16B—H16B0.9500
C17A—C18A1.386 (6)C17B—C18B1.383 (6)
C17A—H17A0.9500C17B—H17B0.9500
C18A—C19A1.387 (5)C18B—C19B1.399 (6)
C18A—H18A0.9500C18B—H18B0.9500
C19A—H19A0.9500C19B—H19B0.9500
C29A—C30A1.391 (5)C29B—C30B1.385 (6)
C29A—C34A1.397 (6)C29B—C34B1.405 (5)
C30A—C31A1.386 (5)C30B—C31B1.395 (6)
C30A—H30A0.9500C30B—H30B0.9500
C31A—C32A1.380 (6)C31B—C32B1.374 (6)
C31A—H31A0.9500C31B—H31B0.9500
C32A—C33A1.386 (6)C32B—C33B1.374 (6)
C32A—H32A0.9500C32B—H32B0.9500
C33A—C34A1.390 (5)C33B—C34B1.386 (5)
C33A—H33A0.9500C33B—H33B0.9500
C34A—H34A0.9500C34B—H34B0.9500
C35A—C36A1.393 (5)C35B—C36B1.393 (5)
C35A—C40A1.404 (5)C35B—C40B1.395 (5)
C36A—C37A1.392 (6)C36B—C37B1.389 (6)
C36A—H36A0.9500C36B—H36B0.9500
C37A—C38A1.378 (6)C37B—C38B1.383 (6)
C37A—H37A0.9500C37B—H37B0.9500
C38A—C39A1.390 (6)C38B—C39B1.382 (6)
C38A—H38A0.9500C38B—H38B0.9500
C39A—C40A1.375 (6)C39B—C40B1.388 (5)
C39A—H39A0.9500C39B—H39B0.9500
C40A—H40A0.9500C40B—H40B0.9500
C41A—H41A0.9900C41B—H41C0.9900
C41A—H41B0.9900C41B—H41D0.9900
C42A—C43A1.388 (6)C42B—C43B1.385 (5)
C42A—C47A1.397 (5)C42B—C47B1.409 (5)
C43A—C44A1.396 (5)C43B—C44B1.400 (6)
C43A—H43A0.9500C43B—H43B0.9500
C44A—C45A1.381 (6)C44B—C45B1.392 (6)
C44A—H44A0.9500C44B—H44B0.9500
C45A—C46A1.386 (6)C45B—C46B1.388 (6)
C45A—H45A0.9500C45B—H45B0.9500
C46A—C47A1.389 (6)C46B—C47B1.382 (6)
C46A—H46A0.9500C46B—H46B0.9500
C47A—H47A0.9500C47B—H47B0.9500
C48A—C49A1.391 (5)C48B—C53B1.387 (5)
C48A—C53A1.393 (6)C48B—C49B1.396 (5)
C49A—C50A1.383 (6)C49B—C50B1.389 (6)
C49A—H49A0.9500C49B—H49B0.9500
C50A—C51A1.394 (7)C50B—C51B1.385 (6)
C50A—H50A0.9500C50B—H50B0.9500
C51A—C52A1.380 (6)C51B—C52B1.385 (6)
C51A—H51A0.9500C51B—H51B0.9500
C52A—C53A1.397 (5)C52B—C53B1.388 (5)
C52A—H52A0.9500C52B—H52B0.9500
C53A—H53A0.9500C53B—H53B0.9500
C21A—Ru1A—C20A92.48 (16)C21B—Ru1B—C20B89.79 (15)
C21A—Ru1A—C22A88.00 (16)C21B—Ru1B—C22B90.29 (16)
C20A—Ru1A—C22A174.93 (16)C20B—Ru1B—C22B176.63 (15)
C21A—Ru1A—P1A96.65 (12)C21B—Ru1B—P1B100.04 (12)
C20A—Ru1A—P1A94.10 (11)C20B—Ru1B—P1B92.70 (11)
C22A—Ru1A—P1A90.85 (11)C22B—Ru1B—P1B90.60 (11)
C21A—Ru1A—Ru3A97.54 (11)C21B—Ru1B—Ru2B96.46 (12)
C20A—Ru1A—Ru3A89.31 (11)C20B—Ru1B—Ru2B92.88 (10)
C22A—Ru1A—Ru3A85.63 (11)C22B—Ru1B—Ru2B83.77 (11)
P1A—Ru1A—Ru3A165.24 (3)P1B—Ru1B—Ru2B162.58 (3)
C21A—Ru1A—Ru2A155.76 (12)C21B—Ru1B—Ru3B154.94 (12)
C20A—Ru1A—Ru2A81.74 (11)C20B—Ru1B—Ru3B85.51 (11)
C22A—Ru1A—Ru2A95.78 (11)C22B—Ru1B—Ru3B93.01 (11)
P1A—Ru1A—Ru2A107.20 (3)P1B—Ru1B—Ru3B104.75 (3)
Ru3A—Ru1A—Ru2A59.067 (10)Ru2B—Ru1B—Ru3B59.310 (10)
C24A—Ru2A—C25A88.49 (16)C24B—Ru2B—C25B92.16 (16)
C24A—Ru2A—C23A91.20 (17)C24B—Ru2B—C23B92.57 (17)
C25A—Ru2A—C23A171.90 (17)C25B—Ru2B—C23B175.23 (16)
C24A—Ru2A—P2A100.14 (12)C24B—Ru2B—P2B105.96 (12)
C25A—Ru2A—P2A94.67 (12)C25B—Ru2B—P2B91.13 (12)
C23A—Ru2A—P2A93.35 (13)C23B—Ru2B—P2B88.18 (12)
C24A—Ru2A—Ru3A169.64 (12)C24B—Ru2B—Ru3B156.83 (11)
C25A—Ru2A—Ru3A96.22 (11)C25B—Ru2B—Ru3B81.21 (11)
C23A—Ru2A—Ru3A82.83 (11)C23B—Ru2B—Ru3B94.17 (12)
P2A—Ru2A—Ru3A88.70 (3)P2B—Ru2B—Ru3B96.40 (3)
C24A—Ru2A—Ru1A112.89 (12)C24B—Ru2B—Ru1B97.34 (12)
C25A—Ru2A—Ru1A78.57 (11)C25B—Ru2B—Ru1B93.23 (11)
C23A—Ru2A—Ru1A94.12 (12)C23B—Ru2B—Ru1B85.54 (11)
P2A—Ru2A—Ru1A145.91 (3)P2B—Ru2B—Ru1B156.11 (3)
Ru3A—Ru2A—Ru1A59.411 (10)Ru3B—Ru2B—Ru1B61.198 (10)
C27A—Ru3A—C28A93.00 (17)C27B—Ru3B—C26B92.62 (17)
C27A—Ru3A—C26A92.66 (17)C27B—Ru3B—C28B87.53 (16)
C28A—Ru3A—C26A174.30 (16)C26B—Ru3B—C28B171.69 (16)
C27A—Ru3A—P3A106.25 (12)C27B—Ru3B—P3B99.65 (12)
C28A—Ru3A—P3A90.55 (12)C26B—Ru3B—P3B93.26 (12)
C26A—Ru3A—P3A87.18 (12)C28B—Ru3B—P3B94.90 (11)
C27A—Ru3A—Ru2A156.38 (12)C27B—Ru3B—Ru2B170.95 (12)
C28A—Ru3A—Ru2A80.85 (11)C26B—Ru3B—Ru2B83.90 (12)
C26A—Ru3A—Ru2A94.21 (11)C28B—Ru3B—Ru2B94.70 (11)
P3A—Ru3A—Ru2A96.65 (3)P3B—Ru3B—Ru2B88.92 (3)
C27A—Ru3A—Ru1A95.98 (12)C27B—Ru3B—Ru1B112.31 (12)
C28A—Ru3A—Ru1A90.47 (11)C26B—Ru3B—Ru1B90.30 (11)
C26A—Ru3A—Ru1A89.65 (12)C28B—Ru3B—Ru1B81.97 (11)
P3A—Ru3A—Ru1A157.65 (3)P3B—Ru3B—Ru1B147.64 (3)
Ru2A—Ru3A—Ru1A61.522 (10)Ru2B—Ru3B—Ru1B59.492 (10)
C14A—P1A—C8A101.86 (17)C14B—P1B—C8B103.22 (17)
C14A—P1A—C1A102.16 (18)C14B—P1B—C1B102.44 (18)
C8A—P1A—C1A100.24 (17)C8B—P1B—C1B100.09 (18)
C14A—P1A—Ru1A112.63 (12)C14B—P1B—Ru1B112.94 (12)
C8A—P1A—Ru1A122.60 (13)C8B—P1B—Ru1B121.04 (13)
C1A—P1A—Ru1A114.63 (12)C1B—P1B—Ru1B114.71 (12)
C35A—P2A—C29A101.65 (17)C35B—P2B—C29B98.54 (17)
C35A—P2A—C41A105.59 (18)C35B—P2B—C41B105.67 (17)
C29A—P2A—C41A98.81 (16)C29B—P2B—C41B102.85 (17)
C35A—P2A—Ru2A117.11 (13)C35B—P2B—Ru2B120.05 (13)
C29A—P2A—Ru2A116.51 (13)C29B—P2B—Ru2B115.70 (13)
C41A—P2A—Ru2A114.77 (12)C41B—P2B—Ru2B111.91 (12)
C42A—P3A—C48A99.72 (17)C42B—P3B—C48B101.87 (17)
C42A—P3A—C41A106.04 (18)C42B—P3B—C41B106.45 (17)
C48A—P3A—C41A102.82 (17)C48B—P3B—C41B98.07 (16)
C42A—P3A—Ru3A118.19 (13)C42B—P3B—Ru3B116.88 (13)
C48A—P3A—Ru3A116.05 (13)C48B—P3B—Ru3B117.15 (13)
C41A—P3A—Ru3A112.18 (12)C41B—P3B—Ru3B114.07 (12)
C2A—C1A—P1A115.3 (3)C2B—C1B—P1B113.4 (3)
C2A—C1A—H1AA108.5C2B—C1B—H1BA108.9
P1A—C1A—H1AA108.5P1B—C1B—H1BA108.9
C2A—C1A—H1AB108.5C2B—C1B—H1BB108.9
P1A—C1A—H1AB108.5P1B—C1B—H1BB108.9
H1AA—C1A—H1AB107.5H1BA—C1B—H1BB107.7
C3A—C2A—C7A118.4 (4)C3B—C2B—C7B117.6 (4)
C3A—C2A—C1A121.4 (4)C3B—C2B—C1B121.7 (3)
C7A—C2A—C1A120.2 (3)C7B—C2B—C1B120.7 (4)
C2A—C3A—C4A120.8 (4)C4B—C3B—C2B120.9 (4)
C2A—C3A—H3AA119.6C4B—C3B—H3BA119.6
C4A—C3A—H3AA119.6C2B—C3B—H3BA119.6
C5A—C4A—C3A119.8 (4)C3B—C4B—C5B120.7 (4)
C5A—C4A—H4AA120.1C3B—C4B—H4BA119.7
C3A—C4A—H4AA120.1C5B—C4B—H4BA119.7
C4A—C5A—C6A120.0 (4)C6B—C5B—C4B119.1 (4)
C4A—C5A—H5AA120.0C6B—C5B—H5BA120.4
C6A—C5A—H5AA120.0C4B—C5B—H5BA120.4
C7A—C6A—C5A119.8 (4)C5B—C6B—C7B120.3 (4)
C7A—C6A—H6AA120.1C5B—C6B—H6BA119.9
C5A—C6A—H6AA120.1C7B—C6B—H6BA119.9
C6A—C7A—C2A121.1 (4)C6B—C7B—C2B121.3 (4)
C6A—C7A—H7AA119.5C6B—C7B—H7BA119.4
C2A—C7A—H7AA119.5C2B—C7B—H7BA119.4
C9A—C8A—C13A119.1 (4)C9B—C8B—C13B118.3 (3)
C9A—C8A—P1A120.8 (3)C9B—C8B—P1B120.3 (3)
C13A—C8A—P1A119.9 (3)C13B—C8B—P1B121.0 (3)
C8A—C9A—C10A120.4 (4)C10B—C9B—C8B121.1 (4)
C8A—C9A—H9AA119.8C10B—C9B—H9BA119.4
C10A—C9A—H9AA119.8C8B—C9B—H9BA119.4
C11A—C10A—C9A120.2 (4)C9B—C10B—C11B119.7 (4)
C11A—C10A—H10A119.9C9B—C10B—H10B120.2
C9A—C10A—H10A119.9C11B—C10B—H10B120.2
C10A—C11A—C12A120.0 (4)C10B—C11B—C12B120.0 (4)
C10A—C11A—H11A120.0C10B—C11B—H11B120.0
C12A—C11A—H11A120.0C12B—C11B—H11B120.0
C13A—C12A—C11A120.0 (4)C13B—C12B—C11B120.0 (4)
C13A—C12A—H12A120.0C13B—C12B—H12B120.0
C11A—C12A—H12A120.0C11B—C12B—H12B120.0
C12A—C13A—C8A120.2 (4)C12B—C13B—C8B120.9 (4)
C12A—C13A—H13A119.9C12B—C13B—H13B119.6
C8A—C13A—H13A119.9C8B—C13B—H13B119.6
C19A—C14A—C15A118.4 (4)C19B—C14B—C15B118.4 (4)
C19A—C14A—P1A120.1 (3)C19B—C14B—P1B122.0 (3)
C15A—C14A—P1A121.4 (3)C15B—C14B—P1B119.3 (3)
C16A—C15A—C14A120.8 (4)C16B—C15B—C14B121.1 (4)
C16A—C15A—H15A119.6C16B—C15B—H15B119.5
C14A—C15A—H15A119.6C14B—C15B—H15B119.5
C17A—C16A—C15A119.9 (4)C17B—C16B—C15B119.9 (4)
C17A—C16A—H16A120.0C17B—C16B—H16B120.0
C15A—C16A—H16A120.0C15B—C16B—H16B120.0
C16A—C17A—C18A120.1 (4)C18B—C17B—C16B119.8 (4)
C16A—C17A—H17A120.0C18B—C17B—H17B120.1
C18A—C17A—H17A120.0C16B—C17B—H17B120.1
C17A—C18A—C19A119.7 (4)C17B—C18B—C19B120.2 (4)
C17A—C18A—H18A120.2C17B—C18B—H18B119.9
C19A—C18A—H18A120.2C19B—C18B—H18B119.9
C18A—C19A—C14A121.2 (4)C14B—C19B—C18B120.5 (4)
C18A—C19A—H19A119.4C14B—C19B—H19B119.7
C14A—C19A—H19A119.4C18B—C19B—H19B119.7
O1A—C20A—Ru1A173.2 (3)O1B—C20B—Ru1B173.4 (3)
O2A—C21A—Ru1A179.5 (4)O2B—C21B—Ru1B177.3 (4)
O3A—C22A—Ru1A172.5 (3)O3B—C22B—Ru1B173.3 (3)
O4A—C23A—Ru2A173.4 (3)O4B—C23B—Ru2B173.9 (3)
O5A—C24A—Ru2A177.1 (4)O5B—C24B—Ru2B176.6 (3)
O6A—C25A—Ru2A171.3 (3)O6B—C25B—Ru2B173.1 (3)
O7A—C26A—Ru3A174.3 (3)O7N—C26B—Ru3B173.6 (3)
O8A—C27A—Ru3A176.1 (4)O8B—C27B—Ru3B176.6 (4)
O9A—C28A—Ru3A173.8 (3)O9B—C28B—Ru3B171.4 (3)
C30A—C29A—C34A118.4 (4)C30B—C29B—C34B118.3 (3)
C30A—C29A—P2A122.4 (3)C30B—C29B—P2B125.2 (3)
C34A—C29A—P2A119.2 (3)C34B—C29B—P2B116.4 (3)
C31A—C30A—C29A120.7 (4)C29B—C30B—C31B120.6 (4)
C31A—C30A—H30A119.7C29B—C30B—H30B119.7
C29A—C30A—H30A119.7C31B—C30B—H30B119.7
C32A—C31A—C30A120.7 (4)C32B—C31B—C30B120.2 (4)
C32A—C31A—H31A119.7C32B—C31B—H31B119.9
C30A—C31A—H31A119.7C30B—C31B—H31B119.9
C31A—C32A—C33A119.4 (4)C33B—C32B—C31B120.1 (4)
C31A—C32A—H32A120.3C33B—C32B—H32B120.0
C33A—C32A—H32A120.3C31B—C32B—H32B120.0
C32A—C33A—C34A120.2 (4)C32B—C33B—C34B120.3 (4)
C32A—C33A—H33A119.9C32B—C33B—H33B119.8
C34A—C33A—H33A119.9C34B—C33B—H33B119.8
C33A—C34A—C29A120.7 (4)C33B—C34B—C29B120.4 (4)
C33A—C34A—H34A119.7C33B—C34B—H34B119.8
C29A—C34A—H34A119.7C29B—C34B—H34B119.8
C36A—C35A—C40A117.8 (4)C36B—C35B—C40B118.7 (4)
C36A—C35A—P2A123.9 (3)C36B—C35B—P2B119.8 (3)
C40A—C35A—P2A118.2 (3)C40B—C35B—P2B121.4 (3)
C37A—C36A—C35A120.6 (4)C37B—C36B—C35B120.6 (4)
C37A—C36A—H36A119.7C37B—C36B—H36B119.7
C35A—C36A—H36A119.7C35B—C36B—H36B119.7
C38A—C37A—C36A120.4 (4)C38B—C37B—C36B120.0 (4)
C38A—C37A—H37A119.8C38B—C37B—H37B120.0
C36A—C37A—H37A119.8C36B—C37B—H37B120.0
C37A—C38A—C39A119.7 (4)C39B—C38B—C37B120.0 (4)
C37A—C38A—H38A120.1C39B—C38B—H38B120.0
C39A—C38A—H38A120.1C37B—C38B—H38B120.0
C40A—C39A—C38A119.9 (4)C38B—C39B—C40B120.1 (4)
C40A—C39A—H39A120.1C38B—C39B—H39B119.9
C38A—C39A—H39A120.1C40B—C39B—H39B119.9
C39A—C40A—C35A121.4 (4)C39B—C40B—C35B120.6 (4)
C39A—C40A—H40A119.3C39B—C40B—H40B119.7
C35A—C40A—H40A119.3C35B—C40B—H40B119.7
P2A—C41A—P3A115.5 (2)P2B—C41B—P3B115.6 (2)
P2A—C41A—H41A108.4P2B—C41B—H41C108.4
P3A—C41A—H41A108.4P3B—C41B—H41C108.4
P2A—C41A—H41B108.4P2B—C41B—H41D108.4
P3A—C41A—H41B108.4P3B—C41B—H41D108.4
H41A—C41A—H41B107.5H41C—C41B—H41D107.4
C43A—C42A—C47A118.9 (4)C43B—C42B—C47B118.7 (4)
C43A—C42A—P3A121.2 (3)C43B—C42B—P3B123.9 (3)
C47A—C42A—P3A119.8 (3)C47B—C42B—P3B117.5 (3)
C42A—C43A—C44A120.7 (4)C42B—C43B—C44B120.7 (4)
C42A—C43A—H43A119.6C42B—C43B—H43B119.6
C44A—C43A—H43A119.6C44B—C43B—H43B119.6
C45A—C44A—C43A119.8 (4)C45B—C44B—C43B119.9 (4)
C45A—C44A—H44A120.1C45B—C44B—H44B120.0
C43A—C44A—H44A120.1C43B—C44B—H44B120.0
C44A—C45A—C46A120.0 (4)C46B—C45B—C44B119.6 (4)
C44A—C45A—H45A120.0C46B—C45B—H45B120.2
C46A—C45A—H45A120.0C44B—C45B—H45B120.2
C45A—C46A—C47A120.2 (4)C47B—C46B—C45B120.5 (4)
C45A—C46A—H46A119.9C47B—C46B—H46B119.8
C47A—C46A—H46A119.9C45B—C46B—H46B119.8
C46A—C47A—C42A120.3 (4)C46B—C47B—C42B120.6 (4)
C46A—C47A—H47A119.8C46B—C47B—H47B119.7
C42A—C47A—H47A119.8C42B—C47B—H47B119.7
C49A—C48A—C53A118.7 (4)C53B—C48B—C49B118.4 (4)
C49A—C48A—P3A116.8 (3)C53B—C48B—P3B119.8 (3)
C53A—C48A—P3A124.5 (3)C49B—C48B—P3B121.7 (3)
C50A—C49A—C48A121.1 (4)C50B—C49B—C48B120.5 (4)
C50A—C49A—H49A119.4C50B—C49B—H49B119.8
C48A—C49A—H49A119.4C48B—C49B—H49B119.8
C49A—C50A—C51A120.0 (4)C51B—C50B—C49B120.2 (4)
C49A—C50A—H50A120.0C51B—C50B—H50B119.9
C51A—C50A—H50A120.0C49B—C50B—H50B119.9
C52A—C51A—C50A119.4 (4)C52B—C51B—C50B120.0 (4)
C52A—C51A—H51A120.3C52B—C51B—H51B120.0
C50A—C51A—H51A120.3C50B—C51B—H51B120.0
C51A—C52A—C53A120.5 (4)C51B—C52B—C53B119.5 (4)
C51A—C52A—H52A119.7C51B—C52B—H52B120.3
C53A—C52A—H52A119.7C53B—C52B—H52B120.3
C48A—C53A—C52A120.2 (4)C48B—C53B—C52B121.4 (4)
C48A—C53A—H53A119.9C48B—C53B—H53B119.3
C52A—C53A—H53A119.9C52B—C53B—H53B119.3
C21A—Ru1A—Ru2A—C24A−155.6 (3)C50A—C51A—C52A—C53A1.8 (7)
C20A—Ru1A—Ru2A—C24A−78.05 (17)C49A—C48A—C53A—C52A0.0 (6)
C22A—Ru1A—Ru2A—C24A106.41 (17)P3A—C48A—C53A—C52A178.6 (3)
P1A—Ru1A—Ru2A—C24A13.71 (13)C51A—C52A—C53A—C48A−1.0 (7)
Ru3A—Ru1A—Ru2A—C24A−172.22 (13)C21B—Ru1B—Ru2B—C24B16.11 (17)
C21A—Ru1A—Ru2A—C25A121.0 (3)C20B—Ru1B—Ru2B—C24B106.22 (16)
C20A—Ru1A—Ru2A—C25A−161.48 (15)C22B—Ru1B—Ru2B—C24B−73.48 (16)
C22A—Ru1A—Ru2A—C25A22.98 (16)P1B—Ru1B—Ru2B—C24B−145.24 (15)
P1A—Ru1A—Ru2A—C25A−69.71 (12)Ru3B—Ru1B—Ru2B—C24B−170.73 (12)
Ru3A—Ru1A—Ru2A—C25A104.35 (11)C21B—Ru1B—Ru2B—C25B108.70 (16)
C21A—Ru1A—Ru2A—C23A−62.5 (3)C20B—Ru1B—Ru2B—C25B−161.18 (15)
C20A—Ru1A—Ru2A—C23A15.00 (16)C22B—Ru1B—Ru2B—C25B19.12 (16)
C22A—Ru1A—Ru2A—C23A−160.55 (16)P1B—Ru1B—Ru2B—C25B−52.64 (15)
P1A—Ru1A—Ru2A—C23A106.76 (12)Ru3B—Ru1B—Ru2B—C25B−78.13 (11)
Ru3A—Ru1A—Ru2A—C23A−79.17 (12)C21B—Ru1B—Ru2B—C23B−75.91 (17)
C21A—Ru1A—Ru2A—P2A39.7 (3)C20B—Ru1B—Ru2B—C23B14.20 (16)
C20A—Ru1A—Ru2A—P2A117.18 (12)C22B—Ru1B—Ru2B—C23B−165.50 (16)
C22A—Ru1A—Ru2A—P2A−58.36 (12)P1B—Ru1B—Ru2B—C23B122.74 (15)
P1A—Ru1A—Ru2A—P2A−151.05 (5)Ru3B—Ru1B—Ru2B—C23B97.25 (12)
Ru3A—Ru1A—Ru2A—P2A23.01 (5)C21B—Ru1B—Ru2B—P2B−151.15 (13)
C21A—Ru1A—Ru2A—Ru3A16.6 (3)C20B—Ru1B—Ru2B—P2B−61.04 (12)
C20A—Ru1A—Ru2A—Ru3A94.17 (11)C22B—Ru1B—Ru2B—P2B119.26 (13)
C22A—Ru1A—Ru2A—Ru3A−81.37 (11)P1B—Ru1B—Ru2B—P2B47.50 (12)
P1A—Ru1A—Ru2A—Ru3A−174.06 (3)Ru3B—Ru1B—Ru2B—P2B22.01 (7)
C24A—Ru2A—Ru3A—C27A63.1 (7)C21B—Ru1B—Ru2B—Ru3B−173.16 (11)
C25A—Ru2A—Ru3A—C27A−53.6 (3)C20B—Ru1B—Ru2B—Ru3B−83.04 (10)
C23A—Ru2A—Ru3A—C27A118.3 (3)C22B—Ru1B—Ru2B—Ru3B97.25 (11)
P2A—Ru2A—Ru3A—C27A−148.1 (3)P1B—Ru1B—Ru2B—Ru3B25.50 (9)
Ru1A—Ru2A—Ru3A—C27A19.2 (3)C24B—Ru2B—Ru3B—C26B117.9 (3)
C24A—Ru2A—Ru3A—C28A139.4 (7)C25B—Ru2B—Ru3B—C26B−167.41 (16)
C25A—Ru2A—Ru3A—C28A22.77 (16)C23B—Ru2B—Ru3B—C26B11.38 (17)
C23A—Ru2A—Ru3A—C28A−165.33 (17)P2B—Ru2B—Ru3B—C26B−77.26 (12)
P2A—Ru2A—Ru3A—C28A−71.78 (12)Ru1B—Ru2B—Ru3B—C26B93.96 (12)
Ru1A—Ru2A—Ru3A—C28A95.56 (12)C24B—Ru2B—Ru3B—C28B−53.9 (3)
C24A—Ru2A—Ru3A—C26A−43.4 (7)C25B—Ru2B—Ru3B—C28B20.82 (16)
C25A—Ru2A—Ru3A—C26A−160.09 (17)C23B—Ru2B—Ru3B—C28B−160.39 (16)
C23A—Ru2A—Ru3A—C26A11.80 (17)P2B—Ru2B—Ru3B—C28B110.97 (11)
P2A—Ru2A—Ru3A—C26A105.35 (12)Ru1B—Ru2B—Ru3B—C28B−77.81 (11)
Ru1A—Ru2A—Ru3A—C26A−87.31 (12)C24B—Ru2B—Ru3B—P3B−148.7 (3)
C24A—Ru2A—Ru3A—P3A−131.1 (7)C25B—Ru2B—Ru3B—P3B−74.01 (12)
C25A—Ru2A—Ru3A—P3A112.26 (12)C23B—Ru2B—Ru3B—P3B104.78 (12)
C23A—Ru2A—Ru3A—P3A−75.84 (13)P2B—Ru2B—Ru3B—P3B16.14 (4)
P2A—Ru2A—Ru3A—P3A17.70 (4)Ru1B—Ru2B—Ru3B—P3B−172.64 (3)
Ru1A—Ru2A—Ru3A—P3A−174.96 (3)C24B—Ru2B—Ru3B—Ru1B24.0 (3)
C24A—Ru2A—Ru3A—Ru1A43.9 (7)C25B—Ru2B—Ru3B—Ru1B98.63 (12)
C25A—Ru2A—Ru3A—Ru1A−72.78 (12)C23B—Ru2B—Ru3B—Ru1B−82.58 (12)
C23A—Ru2A—Ru3A—Ru1A99.11 (12)P2B—Ru2B—Ru3B—Ru1B−171.22 (3)
P2A—Ru2A—Ru3A—Ru1A−167.34 (3)C21B—Ru1B—Ru3B—C27B−159.5 (3)
C21A—Ru1A—Ru3A—C27A14.43 (17)C20B—Ru1B—Ru3B—C27B−79.65 (17)
C20A—Ru1A—Ru3A—C27A106.84 (16)C22B—Ru1B—Ru3B—C27B103.37 (17)
C22A—Ru1A—Ru3A—C27A−72.97 (17)P1B—Ru1B—Ru3B—C27B11.96 (13)
P1A—Ru1A—Ru3A—C27A−149.57 (16)Ru2B—Ru1B—Ru3B—C27B−175.70 (13)
Ru2A—Ru1A—Ru3A—C27A−172.38 (12)C21B—Ru1B—Ru3B—C26B−66.5 (3)
C21A—Ru1A—Ru3A—C28A107.50 (16)C20B—Ru1B—Ru3B—C26B13.31 (15)
C20A—Ru1A—Ru3A—C28A−160.09 (15)C22B—Ru1B—Ru3B—C26B−163.67 (16)
C22A—Ru1A—Ru3A—C28A20.10 (16)P1B—Ru1B—Ru3B—C26B104.92 (12)
P1A—Ru1A—Ru3A—C28A−56.50 (16)Ru2B—Ru1B—Ru3B—C26B−82.74 (12)
Ru2A—Ru1A—Ru3A—C28A−79.32 (11)C21B—Ru1B—Ru3B—C28B116.5 (3)
C21A—Ru1A—Ru3A—C26A−78.21 (16)C20B—Ru1B—Ru3B—C28B−163.63 (15)
C20A—Ru1A—Ru3A—C26A14.20 (15)C22B—Ru1B—Ru3B—C28B19.39 (15)
C22A—Ru1A—Ru3A—C26A−165.60 (16)P1B—Ru1B—Ru3B—C28B−72.02 (11)
P1A—Ru1A—Ru3A—C26A117.80 (16)Ru2B—Ru1B—Ru3B—C28B100.32 (11)
Ru2A—Ru1A—Ru3A—C26A94.98 (11)C21B—Ru1B—Ru3B—P3B30.1 (3)
C21A—Ru1A—Ru3A—P3A−159.91 (14)C20B—Ru1B—Ru3B—P3B109.89 (11)
C20A—Ru1A—Ru3A—P3A−67.50 (13)C22B—Ru1B—Ru3B—P3B−67.09 (12)
C22A—Ru1A—Ru3A—P3A112.70 (13)P1B—Ru1B—Ru3B—P3B−158.50 (6)
P1A—Ru1A—Ru3A—P3A36.10 (14)Ru2B—Ru1B—Ru3B—P3B13.84 (5)
Ru2A—Ru1A—Ru3A—P3A13.28 (7)C21B—Ru1B—Ru3B—Ru2B16.2 (3)
C21A—Ru1A—Ru3A—Ru2A−173.19 (12)C20B—Ru1B—Ru3B—Ru2B96.04 (10)
C20A—Ru1A—Ru3A—Ru2A−80.78 (11)C22B—Ru1B—Ru3B—Ru2B−80.93 (11)
C22A—Ru1A—Ru3A—Ru2A99.42 (11)P1B—Ru1B—Ru3B—Ru2B−172.34 (3)
P1A—Ru1A—Ru3A—Ru2A22.82 (11)C21B—Ru1B—P1B—C14B−94.96 (18)
C21A—Ru1A—P1A—C14A−93.36 (18)C20B—Ru1B—P1B—C14B174.77 (18)
C20A—Ru1A—P1A—C14A173.65 (18)C22B—Ru1B—P1B—C14B−4.56 (18)
C22A—Ru1A—P1A—C14A−5.28 (18)Ru2B—Ru1B—P1B—C14B66.21 (17)
Ru3A—Ru1A—P1A—C14A70.66 (18)Ru3B—Ru1B—P1B—C14B88.71 (14)
Ru2A—Ru1A—P1A—C14A91.04 (14)C21B—Ru1B—P1B—C8B142.05 (18)
C21A—Ru1A—P1A—C8A144.57 (19)C20B—Ru1B—P1B—C8B51.78 (18)
C20A—Ru1A—P1A—C8A51.58 (18)C22B—Ru1B—P1B—C8B−127.55 (18)
C22A—Ru1A—P1A—C8A−127.35 (19)Ru2B—Ru1B—P1B—C8B−56.79 (18)
Ru3A—Ru1A—P1A—C8A−51.4 (2)Ru3B—Ru1B—P1B—C8B−34.28 (15)
Ru2A—Ru1A—P1A—C8A−31.03 (15)C21B—Ru1B—P1B—C1B21.92 (18)
C21A—Ru1A—P1A—C1A22.88 (18)C20B—Ru1B—P1B—C1B−68.35 (18)
C20A—Ru1A—P1A—C1A−70.10 (18)C22B—Ru1B—P1B—C1B112.32 (18)
C22A—Ru1A—P1A—C1A110.96 (18)Ru2B—Ru1B—P1B—C1B−176.92 (15)
Ru3A—Ru1A—P1A—C1A−173.10 (15)Ru3B—Ru1B—P1B—C1B−154.41 (14)
Ru2A—Ru1A—P1A—C1A−152.72 (14)C24B—Ru2B—P2B—C35B50.18 (18)
C24A—Ru2A—P2A—C35A−93.65 (18)C25B—Ru2B—P2B—C35B−42.39 (17)
C25A—Ru2A—P2A—C35A−4.34 (18)C23B—Ru2B—P2B—C35B142.33 (18)
C23A—Ru2A—P2A—C35A174.53 (18)Ru3B—Ru2B—P2B—C35B−123.68 (13)
Ru3A—Ru2A—P2A—C35A91.79 (14)Ru1B—Ru2B—P2B—C35B−142.97 (13)
Ru1A—Ru2A—P2A—C35A72.12 (15)C24B—Ru2B—P2B—C29B−67.78 (19)
C24A—Ru2A—P2A—C29A26.94 (18)C25B—Ru2B—P2B—C29B−160.35 (18)
C25A—Ru2A—P2A—C29A116.24 (17)C23B—Ru2B—P2B—C29B24.37 (18)
C23A—Ru2A—P2A—C29A−64.88 (17)Ru3B—Ru2B—P2B—C29B118.37 (14)
Ru3A—Ru2A—P2A—C29A−147.63 (13)Ru1B—Ru2B—P2B—C29B99.07 (15)
Ru1A—Ru2A—P2A—C29A−167.30 (12)C24B—Ru2B—P2B—C41B174.86 (18)
C24A—Ru2A—P2A—C41A141.69 (18)C25B—Ru2B—P2B—C41B82.29 (17)
C25A—Ru2A—P2A—C41A−129.01 (18)C23B—Ru2B—P2B—C41B−92.99 (18)
C23A—Ru2A—P2A—C41A49.87 (18)Ru3B—Ru2B—P2B—C41B1.00 (14)
Ru3A—Ru2A—P2A—C41A−32.88 (14)Ru1B—Ru2B—P2B—C41B−18.29 (16)
Ru1A—Ru2A—P2A—C41A−52.55 (15)C27B—Ru3B—P3B—C42B−90.63 (19)
C27A—Ru3A—P3A—C42A48.17 (19)C26B—Ru3B—P3B—C42B176.15 (18)
C28A—Ru3A—P3A—C42A−45.12 (17)C28B—Ru3B—P3B—C42B−2.30 (18)
C26A—Ru3A—P3A—C42A140.12 (17)Ru2B—Ru3B—P3B—C42B92.32 (14)
Ru2A—Ru3A—P3A—C42A−125.97 (13)Ru1B—Ru3B—P3B—C42B80.42 (15)
Ru1A—Ru3A—P3A—C42A−137.70 (14)C27B—Ru3B—P3B—C48B30.65 (18)
C27A—Ru3A—P3A—C48A−70.20 (19)C26B—Ru3B—P3B—C48B−62.58 (18)
C28A—Ru3A—P3A—C48A−163.49 (18)C28B—Ru3B—P3B—C48B118.97 (17)
C26A—Ru3A—P3A—C48A21.74 (18)Ru2B—Ru3B—P3B—C48B−146.40 (13)
Ru2A—Ru3A—P3A—C48A115.66 (14)Ru1B—Ru3B—P3B—C48B−158.30 (13)
Ru1A—Ru3A—P3A—C48A103.93 (15)C27B—Ru3B—P3B—C41B144.34 (18)
C27A—Ru3A—P3A—C41A172.02 (18)C26B—Ru3B—P3B—C41B51.12 (18)
C28A—Ru3A—P3A—C41A78.74 (18)C28B—Ru3B—P3B—C41B−127.33 (17)
C26A—Ru3A—P3A—C41A−96.03 (18)Ru2B—Ru3B—P3B—C41B−32.71 (13)
Ru2A—Ru3A—P3A—C41A−2.12 (14)Ru1B—Ru3B—P3B—C41B−44.61 (15)
Ru1A—Ru3A—P3A—C41A−13.84 (17)C14B—P1B—C1B—C2B−173.1 (3)
C14A—P1A—C1A—C2A−167.3 (3)C8B—P1B—C1B—C2B−67.0 (3)
C8A—P1A—C1A—C2A−62.7 (3)Ru1B—P1B—C1B—C2B64.2 (3)
Ru1A—P1A—C1A—C2A70.6 (3)P1B—C1B—C2B—C3B74.7 (4)
P1A—C1A—C2A—C3A−97.4 (4)P1B—C1B—C2B—C7B−103.7 (4)
P1A—C1A—C2A—C7A84.3 (4)C7B—C2B—C3B—C4B4.5 (6)
C7A—C2A—C3A—C4A2.7 (6)C1B—C2B—C3B—C4B−173.9 (4)
C1A—C2A—C3A—C4A−175.6 (4)C2B—C3B—C4B—C5B−3.6 (6)
C2A—C3A—C4A—C5A−1.9 (6)C3B—C4B—C5B—C6B−0.4 (7)
C3A—C4A—C5A—C6A0.5 (7)C4B—C5B—C6B—C7B3.2 (6)
C4A—C5A—C6A—C7A0.1 (7)C5B—C6B—C7B—C2B−2.2 (6)
C5A—C6A—C7A—C2A0.7 (7)C3B—C2B—C7B—C6B−1.7 (6)
C3A—C2A—C7A—C6A−2.1 (6)C1B—C2B—C7B—C6B176.8 (4)
C1A—C2A—C7A—C6A176.2 (4)C14B—P1B—C8B—C9B−151.7 (3)
C14A—P1A—C8A—C9A−150.7 (3)C1B—P1B—C8B—C9B102.9 (3)
C1A—P1A—C8A—C9A104.4 (3)Ru1B—P1B—C8B—C9B−24.2 (4)
Ru1A—P1A—C8A—C9A−23.7 (4)C14B—P1B—C8B—C13B36.5 (4)
C14A—P1A—C8A—C13A34.9 (4)C1B—P1B—C8B—C13B−69.0 (3)
C1A—P1A—C8A—C13A−70.0 (3)Ru1B—P1B—C8B—C13B164.0 (3)
Ru1A—P1A—C8A—C13A161.8 (3)C13B—C8B—C9B—C10B1.5 (6)
C13A—C8A—C9A—C10A−0.7 (6)P1B—C8B—C9B—C10B−170.5 (3)
P1A—C8A—C9A—C10A−175.2 (3)C8B—C9B—C10B—C11B−1.7 (6)
C8A—C9A—C10A—C11A−0.6 (6)C9B—C10B—C11B—C12B0.0 (6)
C9A—C10A—C11A—C12A1.2 (6)C10B—C11B—C12B—C13B1.8 (6)
C10A—C11A—C12A—C13A−0.4 (6)C11B—C12B—C13B—C8B−2.0 (6)
C11A—C12A—C13A—C8A−0.9 (6)C9B—C8B—C13B—C12B0.4 (6)
C9A—C8A—C13A—C12A1.5 (6)P1B—C8B—C13B—C12B172.3 (3)
P1A—C8A—C13A—C12A176.0 (3)C8B—P1B—C14B—C19B−137.6 (3)
C8A—P1A—C14A—C19A48.6 (3)C1B—P1B—C14B—C19B−34.0 (4)
C1A—P1A—C14A—C19A151.9 (3)Ru1B—P1B—C14B—C19B90.0 (3)
Ru1A—P1A—C14A—C19A−84.6 (3)C8B—P1B—C14B—C15B48.7 (3)
C8A—P1A—C14A—C15A−136.0 (3)C1B—P1B—C14B—C15B152.3 (3)
C1A—P1A—C14A—C15A−32.6 (4)Ru1B—P1B—C14B—C15B−83.8 (3)
Ru1A—P1A—C14A—C15A90.9 (3)C19B—C14B—C15B—C16B−0.2 (6)
C19A—C14A—C15A—C16A−1.2 (6)P1B—C14B—C15B—C16B173.7 (3)
P1A—C14A—C15A—C16A−176.7 (3)C14B—C15B—C16B—C17B0.0 (6)
C14A—C15A—C16A—C17A1.0 (6)C15B—C16B—C17B—C18B0.5 (6)
C15A—C16A—C17A—C18A−0.3 (6)C16B—C17B—C18B—C19B−0.7 (6)
C16A—C17A—C18A—C19A−0.2 (6)C15B—C14B—C19B—C18B0.0 (6)
C17A—C18A—C19A—C14A0.1 (6)P1B—C14B—C19B—C18B−173.8 (3)
C15A—C14A—C19A—C18A0.6 (6)C17B—C18B—C19B—C14B0.5 (6)
P1A—C14A—C19A—C18A176.2 (3)Ru3B—Ru1B—C20B—O1B179 (100)
C20A—Ru1A—C21A—O2A169 (100)C35B—P2B—C29B—C30B99.8 (4)
Ru3A—Ru1A—C21A—O2A−102 (100)C41B—P2B—C29B—C30B−8.6 (4)
Ru2A—Ru1A—C21A—O2A−116 (100)Ru2B—P2B—C29B—C30B−130.9 (3)
Ru2A—Ru1A—C22A—O3A−180 (100)C35B—P2B—C29B—C34B−75.8 (3)
C35A—P2A—C29A—C30A−25.8 (3)C41B—P2B—C29B—C34B175.9 (3)
C41A—P2A—C29A—C30A82.2 (3)Ru2B—P2B—C29B—C34B53.6 (3)
Ru2A—P2A—C29A—C30A−154.3 (3)C34B—C29B—C30B—C31B−3.1 (6)
C35A—P2A—C29A—C34A156.2 (3)P2B—C29B—C30B—C31B−178.5 (3)
C41A—P2A—C29A—C34A−95.8 (3)C29B—C30B—C31B—C32B1.6 (7)
Ru2A—P2A—C29A—C34A27.7 (3)C30B—C31B—C32B—C33B0.7 (7)
C34A—C29A—C30A—C31A−0.5 (5)C31B—C32B—C33B—C34B−1.4 (7)
P2A—C29A—C30A—C31A−178.5 (3)C32B—C33B—C34B—C29B−0.1 (6)
C29A—C30A—C31A—C32A0.9 (6)C30B—C29B—C34B—C33B2.4 (6)
C30A—C31A—C32A—C33A−0.8 (6)P2B—C29B—C34B—C33B178.2 (3)
C31A—C32A—C33A—C34A0.1 (6)C29B—P2B—C35B—C36B−58.6 (3)
C32A—C33A—C34A—C29A0.3 (6)C41B—P2B—C35B—C36B47.4 (3)
C30A—C29A—C34A—C33A−0.2 (5)Ru2B—P2B—C35B—C36B175.0 (3)
P2A—C29A—C34A—C33A177.9 (3)C29B—P2B—C35B—C40B116.7 (3)
C29A—P2A—C35A—C36A115.1 (3)C41B—P2B—C35B—C40B−137.3 (3)
C41A—P2A—C35A—C36A12.4 (4)Ru2B—P2B—C35B—C40B−9.7 (3)
Ru2A—P2A—C35A—C36A−116.8 (3)C40B—C35B—C36B—C37B1.3 (6)
C29A—P2A—C35A—C40A−64.3 (3)P2B—C35B—C36B—C37B176.7 (3)
C41A—P2A—C35A—C40A−167.0 (3)C35B—C36B—C37B—C38B−0.6 (6)
Ru2A—P2A—C35A—C40A63.9 (3)C36B—C37B—C38B—C39B−0.9 (6)
C40A—C35A—C36A—C37A0.2 (6)C37B—C38B—C39B—C40B1.5 (6)
P2A—C35A—C36A—C37A−179.1 (3)C38B—C39B—C40B—C35B−0.8 (6)
C35A—C36A—C37A—C38A1.3 (6)C36B—C35B—C40B—C39B−0.6 (5)
C36A—C37A—C38A—C39A−0.9 (7)P2B—C35B—C40B—C39B−176.0 (3)
C37A—C38A—C39A—C40A−1.0 (6)C35B—P2B—C41B—P3B107.6 (2)
C38A—C39A—C40A—C35A2.6 (6)C29B—P2B—C41B—P3B−149.6 (2)
C36A—C35A—C40A—C39A−2.2 (6)Ru2B—P2B—C41B—P3B−24.7 (2)
P2A—C35A—C40A—C39A177.2 (3)C42B—P3B—C41B—P2B−88.3 (2)
C35A—P2A—C41A—P3A−90.8 (2)C48B—P3B—C41B—P2B166.7 (2)
C29A—P2A—C41A—P3A164.4 (2)Ru3B—P3B—C41B—P2B42.1 (2)
Ru2A—P2A—C41A—P3A39.7 (3)C48B—P3B—C42B—C43B115.4 (4)
C42A—P3A—C41A—P2A109.5 (2)C41B—P3B—C42B—C43B13.2 (4)
C48A—P3A—C41A—P2A−146.2 (2)Ru3B—P3B—C42B—C43B−115.6 (3)
Ru3A—P3A—C41A—P2A−20.9 (3)C48B—P3B—C42B—C47B−65.3 (3)
C48A—P3A—C42A—C43A119.5 (3)C41B—P3B—C42B—C47B−167.5 (3)
C41A—P3A—C42A—C43A−134.1 (3)Ru3B—P3B—C42B—C47B63.7 (3)
Ru3A—P3A—C42A—C43A−7.2 (4)C47B—C42B—C43B—C44B0.2 (6)
C48A—P3A—C42A—C47A−56.0 (3)P3B—C42B—C43B—C44B179.5 (3)
C41A—P3A—C42A—C47A50.5 (3)C42B—C43B—C44B—C45B1.1 (7)
Ru3A—P3A—C42A—C47A177.3 (3)C43B—C44B—C45B—C46B−1.1 (7)
C47A—C42A—C43A—C44A−1.3 (6)C44B—C45B—C46B—C47B−0.1 (7)
P3A—C42A—C43A—C44A−176.8 (3)C45B—C46B—C47B—C42B1.4 (6)
C42A—C43A—C44A—C45A−0.4 (6)C43B—C42B—C47B—C46B−1.4 (6)
C43A—C44A—C45A—C46A1.7 (6)P3B—C42B—C47B—C46B179.2 (3)
C44A—C45A—C46A—C47A−1.2 (6)C42B—P3B—C48B—C53B154.1 (3)
C45A—C46A—C47A—C42A−0.5 (6)C41B—P3B—C48B—C53B−97.1 (3)
C43A—C42A—C47A—C46A1.8 (6)Ru3B—P3B—C48B—C53B25.3 (3)
P3A—C42A—C47A—C46A177.4 (3)C42B—P3B—C48B—C49B−30.6 (3)
C42A—P3A—C48A—C49A−58.6 (3)C41B—P3B—C48B—C49B78.2 (3)
C41A—P3A—C48A—C49A−167.6 (3)Ru3B—P3B—C48B—C49B−159.4 (3)
Ru3A—P3A—C48A—C49A69.6 (3)C53B—C48B—C49B—C50B−1.5 (6)
C42A—P3A—C48A—C53A122.8 (4)P3B—C48B—C49B—C50B−177.0 (3)
C41A—P3A—C48A—C53A13.8 (4)C48B—C49B—C50B—C51B0.8 (6)
Ru3A—P3A—C48A—C53A−109.0 (3)C49B—C50B—C51B—C52B0.2 (6)
C53A—C48A—C49A—C50A0.3 (6)C50B—C51B—C52B—C53B−0.4 (6)
P3A—C48A—C49A—C50A−178.4 (3)C49B—C48B—C53B—C52B1.4 (6)
C48A—C49A—C50A—C51A0.5 (7)P3B—C48B—C53B—C52B176.8 (3)
C49A—C50A—C51A—C52A−1.5 (7)C51B—C52B—C53B—C48B−0.4 (6)
D—H···AD—HH···AD···AD—H···A
C5A—H5AA···O1Ai0.952.553.221 (5)127
C10B—H10B···O1Bii0.952.583.250 (5)128
C3B—H3BA···Cg10.952.783.485 (4)131
C12B—H12B···Cg2iii0.952.673.539 (4)153
Table 1

Selected bond lengths (Å)

Ru1A—P1A 2.3353 (10)
Ru1A—Ru3A 2.8454 (4)
Ru1A—Ru2A 2.9054 (4)
Ru2A—P2A 2.3232 (10)
Ru2A—Ru3A 2.8353 (4)
Ru3A—P3A 2.3196 (10)
Ru1B—P1B 2.3406 (10)
Ru1B—Ru2B 2.8504 (4)
Ru1B—Ru3B 2.8992 (4)
Ru2B—P2B 2.3195 (10)
Ru2B—Ru3B 2.8451 (4)
Ru3B—P3B 2.3191 (10)
Table 2

Hydrogen-bond geometry (Å, °)

Cg1 and Cg2 are the centroids of the C8B–C13B and C29A–C34A rings, respectively.

D—H⋯A D—HH⋯A DA D—H⋯A
C5A—H5AA⋯O1A i 0.952.553.221 (5)127
C10B—H10B⋯O1B ii 0.952.583.250 (5)128
C3B—H3BACg10.952.783.485 (4)131
C12B—H12BCg2iii 0.952.673.539 (4)153

Symmetry codes: (i) ; (ii) ; (iii) .

  6 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-tricyclo-hexyl-phosphine-3κP-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:  2009-11-21

3.  [μ-Bis(diphenyl-phosphan-yl)ethane-1:2κP:P']nona-carbonyl-1κC,2κC,3κC-[tris-(4-(meth-oxy-phen-yl)arsane-3κAs]-triangulo-triruthenium(0) chloro-form monosolvate.

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

4.  Bis{[μ-bis-(diphenyl-phosphino)methane-1:2κP:P']nona-carbonyl-1κC,2κC,3κC-[tris-(4-methoxy-phen-yl)arsine-3κAs]-triangulo-triruthenium(0)} dichloro-methane solvate.

Authors:  Omar Bin Shawkataly; Imthyaz Ahmed Khan; Chin Sing Yeap; Hoong-Kun Fun
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-12-09

5.  [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.

Authors:  Omar Bin Shawkataly; Imthyaz Ahmed Khan; Siti Syaida Sirat; Ching Kheng Quah; Hoong-Kun Fun
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-05-26

6.  Structure validation in chemical crystallography.

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

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