metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 67| Part 2| February 2011| Pages m197-m198

[μ-Bis(di-o-tolyl­phosphan­yl)methane-1:2κ2P:P′]deca­carbonyl-1κ3C,2κ3C,3κ4C-triangulo-triruthenium(0)–methanol (8/1)

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

(Received 22 December 2010; accepted 6 January 2011; online 15 January 2011)

The asymmetric unit of the title compound, [Ru3(C29H30P2)(CO)10].1/8CH3OH, contains two triangulo-triruthenium mol­ecules with similar configurations and a methanol solvent mol­ecule (fractional site occupancy for the latter = 0.25). The bis­(di-o-tolyl­phosphan­yl)methane ligand bridges an Ru—Ru bond and its P atoms are equatorial with respect to the Ru3 triangle. The phosphine-substituted Ru atoms each bear one equatorial and two axial terminal carbonyl ligands whereas the unsubstituted Ru atom carries two equatorial and two axial terminal carbonyl ligands. The dihedral angles between the two benzene rings attached to each P atom are 76.26 (13) and 74.76 (15)° for the first mol­ecule and 77.21 (13) and 75.68 (14)° for the second. In the crystal, mol­ecules are linked into [001] chains via inter­molecular C—H⋯O hydrogen bonds. Weak inter­molecular C—H⋯π inter­actions also occur.

Related literature

For general background to triangulo-triruthenium derivatives, see: Bruce, et al. (1985,[Bruce, M. I., Shawkataly, O. bin. & Williams, M. L. (1985). J. Organomet. Chem. 287, 127-131.] 1988a[Bruce, M. I., Liddell, M. J., Hughes, C. A., Patrick, J. M., Skelton, B. W. & White, A. H. (1988a). J. Organomet. Chem. 347, 181-205.],b[Bruce, M. I., Liddell, M. J., Shawkataly, O. bin., Hughes, C. A., Skelton, B. W. & White, A. H. (1988b). J. Organomet. Chem. 347, 207-235.]). For related structures, see: Shawkataly et al. (1998[Shawkataly, O. bin., Ramalingam, K., Lee, S. T., Parameswary, M., Fun, H.-K. & Sivakumar, K. (1998). Polyhedron, 17, 1211-1216.], 2004[Shawkataly, O. bin, Ramalingam, K., Fun, H.-K., Abdul Rahman, A., & Razak, I. A. (2004). J. Cluster Sci. 15, 387-394.], 2010[Shawkataly, O. bin, Khan, I. A., Yeap, C. S. & Fun, H.-K. (2010). Acta Cryst. E66, m94-m95.]). For the synthesis of bis­(di-o-tolyl­phosphan­yl)methane, see: Filby et al. (2006[Filby, M., Deeming, A. J., Hogarth, G. & Lee, M.-Y. (2006). Can. J. Chem. 84, 319-329.]). For the stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986[Cosier, J. & Glazer, A. M. (1986). J. Appl. Cryst. 19, 105-107.]).

[Scheme 1]

Experimental

Crystal data
  • 8[Ru3(C29H30P2)(CO)10]·CH4O

  • Mr = 8222.28

  • Monoclinic, P 21 /c

  • a = 22.7156 (13) Å

  • b = 19.9023 (11) Å

  • c = 18.4979 (10) Å

  • β = 106.561 (1)°

  • V = 8015.8 (8) Å3

  • Z = 1

  • Mo Kα radiation

  • μ = 1.25 mm−1

  • T = 100 K

  • 0.23 × 0.10 × 0.06 mm

Data collection
  • Bruker APEXII DUO CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2009[Bruker (2009). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.758, Tmax = 0.932

  • 107136 measured reflections

  • 28473 independent reflections

  • 20091 reflections with I > 2σ(I)

  • Rint = 0.056

Refinement
  • R[F2 > 2σ(F2)] = 0.035

  • wR(F2) = 0.082

  • S = 1.03

  • 28473 reflections

  • 990 parameters

  • 1 restraint

  • H-atom parameters constrained

  • Δρmax = 1.14 e Å−3

  • Δρmin = −0.72 e Å−3

Table 1
Selected bond lengths (Å)

Ru1A—P1A 2.3451 (7)
Ru2A—P2A 2.3422 (7)
Ru1B—P1B 2.3450 (7)
Ru2B—P2B 2.3459 (7)

Table 2
Hydrogen-bond geometry (Å, °)

Cg1 is centroid of the C14A–C19A benzene ring.

D—H⋯A D—H H⋯A DA D—H⋯A
C11B—H11B⋯O1Bi 0.93 2.54 3.251 (3) 134
C24A—H24A⋯O5Aii 0.93 2.49 3.240 (4) 138
C29A—H29BCg1 0.96 2.96 3.702 (4) 135
Symmetry codes: (i) [x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]; (ii) [x, -y+{\script{3\over 2}}, z+{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2009[Bruker (2009). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2009[Bruker (2009). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]).

Supporting information


Comment top

A large number of substituted derivatives, Ru3(CO)12-nLn (L = group 15 ligand) have been reported (Bruce et al., 1985, 1988a,b; Bruce et al., 1985). As part of our study on the substitution of transition metal-carbonyl clusters with mixed-ligand complexes, we have published several structures of triangulo-triruthenium-carbonyl clusters containing mixed P/As and P/Sb ligands (Shawkataly et al., 1998, 2004, 2010). Herein we report the synthesis and structure of the title compound.

The asymmetry unit of title compound consists of two molecule of triangulo-triruthenium complex (A & B) and one-quater molecule of methanol solvent (Fig. 1). The bis(di-o-tolylphosphanyl)methane ligand bridges the Ru1–Ru2 bond. The phosphine ligand is equatorial with respect to the Ru triangle. The Ru1 and Ru2 atoms each carries one equatorial and two axial terminal carbonyl ligands whereas the Ru3 atom carries two equatorial and two axial terminal carbonyl ligands. The dihedral angles between the two benzene rings (C1–C6/C7–C12 and C14–C19/C20–C25) are 76.26 (13) and 74.76 (15)° in molecule A for the two diphenylphosphanyl groups respectively whereas these angles are 77.21 (13) and 75.68 (14)° in molecule B.

In the crystal, the molecules are linked into one-dimensional chains along c axis via intermolecular C11B—H11B···O1B and C24A—H24A···O5A hydrogen bonds (Fig. 2, Table 1). Weak intermolecular C—H···π interactions (Table 1) consolidate the packing.

Related literature top

For general background to triangulo-triruthenium derivatives, see: Bruce, et al. (1985, 1988a,b). For related structures, see: Shawkataly et al. (1998, 2004, 2010). For the synthesis of bis(di-o-tolylphosphanyl)methane, see: Filby et al. (2006). For the stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986).

Experimental top

All manipulations were performed under a dry oxygen-free nitrogen atmosphere using standard Schlenk techniques. All solvents were dried over sodium and distilled from sodium benzophenone ketyl under dry oxygen free nitrogen. Bis(di-o-tolylphosphanyl)methane (Filby et al., 2006) was prepared by reported procedure. Equimolar quantities of Ru3(CO)12 and bis(di-o-tolylphosphanyl)methane were stirred in THF (25 ml) under nitrogen. About 0.2 ml of diphenylketyl radical anion initiator was introduced into the reaction mixture under a current of nitrogen. The reaction mixture turned intense red. After 10 minutes of stirring the solvent was removed under vacuum. The reaction mixture was separated by TLC (acetone: hexane, 10:90) three bands appeared. The major band (red) was separated and characterized. Orange needles of the title compound were grown by slow solvent / solvent diffusion of CH3OH into CH2Cl2.

Refinement top

All hydrogen atoms were positioned geometrically and refined using a riding model with C—H = 0.93–0.97 Å and Uiso(H) = 1.2 or 1.5 Ueq(C). Rotating group model was applied for the methyl group. The solvent molecule is modeled to be a methanol. The occupancy of methanol molecule is fixed to 0.25 and the O–C bond distance is restrained with a distance of 1.50 (1) Å. The methanol solvent is refined isotropically. The maximum and minimum residual electron density peaks of 1.14 and -0.72 e Å-3 were located 0.64 and 0.71 Å from the H40C and Ru2B atoms, respectively.

Computing details top

Data collection: APEX2 (Bruker, 2009); cell refinement: 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).

Figures top
[Figure 1] Fig. 1. The molecular structure of the title compound with 50% probability ellipsoids for non-H atoms.
[Figure 2] Fig. 2. The crystal packing of the title compound, viewed down the a axis, showing the molecules linked into chains along c axis. Hydrogen atoms not involved in the hydrogen-bonding (dashed lines) and solvent molecules have been omitted for clarity.
[µ-Bis(di-o-tolylphosphanyl)methane- 1:2κ2P:P']decacarbonyl- 1κ3C,2κ3C,3κ4C-triangulo-triruthenium(0)– methanol (8/1) top
Crystal data top
8[Ru3(C29H30P2)(CO)10]·CH4OF(000) = 4066
Mr = 8222.28Dx = 1.703 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 9981 reflections
a = 22.7156 (13) Åθ = 2.5–31.9°
b = 19.9023 (11) ŵ = 1.25 mm1
c = 18.4979 (10) ÅT = 100 K
β = 106.561 (1)°Needle, orange
V = 8015.8 (8) Å30.23 × 0.10 × 0.06 mm
Z = 1
Data collection top
Bruker APEXII DUO CCD
diffractometer
28473 independent reflections
Radiation source: fine-focus sealed tube20091 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.056
ϕ and ω scansθmax = 32.4°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Bruker, 2009)
h = 3434
Tmin = 0.758, Tmax = 0.932k = 2629
107136 measured reflectionsl = 2527
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.035Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.082H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0264P)2 + 3.1179P]
where P = (Fo2 + 2Fc2)/3
28473 reflections(Δ/σ)max = 0.002
990 parametersΔρmax = 1.14 e Å3
1 restraintΔρmin = 0.72 e Å3
Crystal data top
8[Ru3(C29H30P2)(CO)10]·CH4OV = 8015.8 (8) Å3
Mr = 8222.28Z = 1
Monoclinic, P21/cMo Kα radiation
a = 22.7156 (13) ŵ = 1.25 mm1
b = 19.9023 (11) ÅT = 100 K
c = 18.4979 (10) Å0.23 × 0.10 × 0.06 mm
β = 106.561 (1)°
Data collection top
Bruker APEXII DUO CCD
diffractometer
28473 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2009)
20091 reflections with I > 2σ(I)
Tmin = 0.758, Tmax = 0.932Rint = 0.056
107136 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0351 restraint
wR(F2) = 0.082H-atom parameters constrained
S = 1.03Δρmax = 1.14 e Å3
28473 reflectionsΔρmin = 0.72 e Å3
990 parameters
Special details top

Experimental. The crystal was placed in the cold stream of an Oxford Cryosystems Cobra open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K.

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ru1A0.220302 (9)0.677332 (10)0.085362 (11)0.01552 (4)
Ru2A0.101706 (9)0.679317 (10)0.107074 (11)0.01676 (4)
Ru3A0.155914 (10)0.555256 (11)0.087520 (12)0.02137 (5)
P1A0.23685 (3)0.79201 (3)0.11282 (3)0.01575 (12)
P2A0.09283 (3)0.79598 (3)0.09101 (3)0.01690 (12)
O1A0.29531 (9)0.64003 (11)0.24630 (11)0.0303 (4)
O2A0.14958 (9)0.70117 (11)0.08085 (10)0.0286 (4)
O3A0.33234 (9)0.63612 (11)0.03704 (11)0.0343 (5)
O4A0.17311 (9)0.69638 (10)0.27390 (10)0.0279 (4)
O5A0.02466 (9)0.66139 (10)0.05763 (10)0.0276 (4)
O6A0.01057 (10)0.63248 (12)0.15217 (12)0.0405 (6)
O7A0.18600 (13)0.54704 (12)0.25985 (12)0.0469 (6)
O8A0.11455 (10)0.55392 (11)0.08609 (12)0.0376 (5)
O9A0.26875 (10)0.47068 (11)0.09090 (13)0.0384 (5)
O10A0.05042 (12)0.45816 (14)0.07945 (16)0.0622 (8)
C1A0.26433 (11)0.84455 (13)0.04703 (13)0.0186 (5)
C2A0.27857 (12)0.91336 (14)0.05881 (15)0.0241 (5)
C3A0.29300 (13)0.94867 (15)0.00094 (16)0.0290 (6)
H3AA0.30260.99410.00780.035*
C4A0.29350 (13)0.91861 (15)0.06618 (16)0.0304 (6)
H4AA0.30210.94410.10410.037*
C5A0.28134 (12)0.85113 (15)0.07691 (15)0.0261 (6)
H5AA0.28260.83030.12140.031*
C6A0.26713 (11)0.81470 (13)0.02028 (14)0.0203 (5)
H6AA0.25920.76890.02730.024*
C7A0.28948 (11)0.80688 (12)0.20754 (13)0.0177 (5)
C8A0.35360 (12)0.80422 (13)0.22137 (14)0.0206 (5)
C9A0.39014 (13)0.81449 (14)0.29506 (15)0.0270 (6)
H9AA0.43260.81360.30460.032*
C10A0.36610 (14)0.82584 (14)0.35419 (15)0.0303 (6)
H10A0.39200.83350.40240.036*
C11A0.30257 (14)0.82582 (14)0.34126 (15)0.0277 (6)
H11A0.28560.83190.38100.033*
C12A0.26502 (13)0.81657 (13)0.26826 (14)0.0233 (5)
H12A0.22260.81680.25950.028*
C13A0.16700 (11)0.84055 (13)0.11510 (15)0.0207 (5)
H13A0.17420.85900.16540.025*
H13B0.16300.87820.08080.025*
C14A0.05547 (11)0.82095 (12)0.00663 (13)0.0184 (5)
C15A0.00846 (12)0.81429 (13)0.03756 (14)0.0222 (5)
C16A0.03425 (13)0.83291 (14)0.11266 (15)0.0270 (6)
H16A0.07660.82980.13330.032*
C17A0.00073 (14)0.85565 (15)0.15703 (15)0.0307 (6)
H17A0.01790.86820.20670.037*
C18A0.06415 (14)0.85982 (15)0.12748 (16)0.0305 (6)
H18A0.08830.87390.15760.037*
C19A0.09110 (12)0.84276 (14)0.05254 (15)0.0232 (5)
H19A0.13350.84590.03260.028*
C20A0.05500 (12)0.84311 (14)0.15128 (14)0.0238 (5)
C21A0.03789 (15)0.91107 (17)0.14213 (18)0.0368 (7)
C22A0.01195 (18)0.9402 (2)0.1944 (2)0.0509 (10)
H22A0.00120.98460.18760.061*
C23A0.00516 (15)0.9050 (2)0.25650 (19)0.0448 (9)
H23A0.01180.92600.29080.054*
C24A0.02358 (14)0.83938 (18)0.26684 (17)0.0363 (7)
H24A0.02010.81560.30870.044*
C25A0.04761 (12)0.80862 (16)0.21368 (14)0.0259 (6)
H25A0.05910.76370.22010.031*
C26A0.28218 (14)0.95086 (14)0.13111 (16)0.0302 (6)
H26A0.28070.99830.12160.045*
H26B0.32000.93990.16830.045*
H26C0.24820.93820.14930.045*
C27A0.38495 (13)0.79109 (16)0.16094 (16)0.0309 (6)
H27A0.42690.77830.18410.046*
H27B0.38390.83110.13160.046*
H27C0.36410.75550.12870.046*
C28A0.05019 (12)0.78985 (16)0.00726 (16)0.0307 (6)
H28A0.08650.77060.02630.046*
H28B0.06140.82690.03380.046*
H28C0.02920.75650.04280.046*
C29A0.0455 (2)0.95446 (19)0.0783 (2)0.0667 (14)
H29A0.03420.99990.08550.100*
H29B0.01950.93780.03120.100*
H29C0.08750.95320.07740.100*
C30A0.26436 (12)0.65347 (13)0.18781 (15)0.0217 (5)
C31A0.17239 (12)0.69159 (13)0.01808 (15)0.0215 (5)
C32A0.29057 (12)0.65169 (14)0.05549 (14)0.0225 (5)
C33A0.14982 (12)0.68880 (13)0.21078 (15)0.0216 (5)
C34A0.05662 (12)0.66612 (13)0.00228 (15)0.0220 (5)
C35A0.03166 (13)0.65093 (15)0.13479 (15)0.0256 (6)
C36A0.17545 (15)0.55492 (15)0.19671 (17)0.0324 (6)
C37A0.13004 (13)0.55914 (14)0.02258 (16)0.0268 (6)
C38A0.22584 (14)0.50192 (14)0.08860 (16)0.0277 (6)
C39A0.08977 (15)0.49406 (16)0.08308 (19)0.0377 (7)
Ru1B0.282548 (9)0.326339 (10)0.936357 (11)0.01576 (4)
Ru2B0.399429 (9)0.309121 (10)0.911319 (11)0.01557 (4)
Ru3B0.354149 (10)0.440860 (10)0.922137 (12)0.02002 (5)
P1B0.25992 (3)0.21187 (3)0.91452 (3)0.01521 (12)
P2B0.40317 (3)0.19375 (3)0.93823 (3)0.01592 (12)
O1B0.21008 (10)0.36087 (11)0.77383 (11)0.0333 (5)
O2B0.35113 (9)0.30992 (10)1.10464 (10)0.0276 (4)
O3B0.17110 (9)0.37604 (11)0.98056 (11)0.0341 (5)
O4B0.32795 (9)0.28896 (10)0.74471 (10)0.0260 (4)
O5B0.47536 (9)0.33369 (10)1.07514 (10)0.0254 (4)
O6B0.51458 (9)0.34127 (12)0.86489 (12)0.0348 (5)
O7B0.32373 (13)0.43605 (11)0.74972 (12)0.0489 (7)
O8B0.39854 (10)0.45298 (11)1.09512 (11)0.0333 (5)
O9B0.24943 (10)0.53881 (11)0.91616 (14)0.0419 (6)
O10B0.46223 (11)0.52956 (13)0.91726 (16)0.0551 (7)
C1B0.22076 (11)0.19372 (12)0.81543 (13)0.0179 (5)
C2B0.15836 (11)0.20918 (13)0.78421 (14)0.0204 (5)
C3B0.13122 (13)0.19456 (14)0.70791 (15)0.0249 (6)
H3BA0.08960.20310.68690.030*
C4B0.16457 (15)0.16782 (15)0.66293 (16)0.0312 (7)
H4BA0.14540.15860.61240.037*
C5B0.22658 (14)0.15480 (15)0.69321 (15)0.0283 (6)
H5BA0.24950.13770.66300.034*
C6B0.25418 (12)0.16751 (13)0.76907 (15)0.0225 (5)
H6BA0.29580.15840.78950.027*
C7B0.21822 (11)0.16697 (12)0.97280 (13)0.0176 (5)
C8B0.19090 (12)0.10265 (13)0.95663 (14)0.0212 (5)
C9B0.17052 (13)0.07180 (14)1.01206 (16)0.0274 (6)
H9BA0.15190.02991.00190.033*
C10B0.17656 (13)0.10076 (15)1.08253 (16)0.0286 (6)
H10B0.16300.07811.11870.034*
C11B0.20303 (12)0.16365 (14)1.09782 (15)0.0243 (5)
H11B0.20760.18371.14450.029*
C12B0.22272 (11)0.19645 (13)1.04266 (14)0.0196 (5)
H12B0.23940.23931.05250.023*
C13B0.32775 (11)0.15592 (13)0.93696 (15)0.0206 (5)
H13C0.31940.11960.90050.025*
H13D0.33190.13620.98610.025*
C14B0.42883 (11)0.13463 (13)0.87695 (14)0.0202 (5)
C15B0.43712 (12)0.06521 (14)0.89234 (15)0.0250 (5)
C16B0.45645 (15)0.02591 (15)0.84122 (17)0.0347 (7)
H16B0.46280.01980.85090.042*
C17B0.46658 (17)0.05181 (17)0.77716 (18)0.0422 (8)
H17B0.47940.02380.74430.051*
C18B0.45770 (15)0.11917 (16)0.76151 (16)0.0339 (7)
H18B0.46370.13690.71760.041*
C19B0.43979 (12)0.16037 (14)0.81156 (14)0.0242 (5)
H19B0.43490.20620.80160.029*
C20B0.45181 (11)0.17630 (12)1.03454 (13)0.0176 (5)
C21B0.51592 (12)0.17446 (13)1.05094 (14)0.0200 (5)
C22B0.55078 (13)0.16466 (13)1.12575 (15)0.0245 (6)
H22B0.59330.16261.13670.029*
C23B0.52438 (14)0.15791 (14)1.18371 (16)0.0293 (6)
H23B0.54880.15121.23290.035*
C24B0.46091 (15)0.16130 (15)1.16792 (15)0.0303 (6)
H24B0.44250.15741.20660.036*
C25B0.42512 (13)0.17053 (14)1.09421 (15)0.0242 (5)
H25B0.38260.17291.08400.029*
C26B0.11899 (12)0.23870 (15)0.82941 (15)0.0276 (6)
H26D0.08370.26000.79600.041*
H26E0.14230.27130.86420.041*
H26F0.10590.20360.85690.041*
C27B0.18306 (14)0.06476 (14)0.88355 (15)0.0279 (6)
H27D0.17150.01920.88960.042*
H27E0.22110.06520.87060.042*
H27F0.15160.08590.84410.042*
C28B0.42639 (13)0.03133 (14)0.96078 (16)0.0283 (6)
H28D0.42980.01650.95630.042*
H28E0.38610.04240.96400.042*
H28F0.45650.04661.00550.042*
C29B0.55012 (12)0.18341 (15)0.99213 (15)0.0257 (6)
H29D0.59130.19801.01620.039*
H29E0.52950.21650.95590.039*
H29F0.55120.14140.96700.039*
C30B0.24043 (12)0.34815 (13)0.83281 (15)0.0225 (5)
C31B0.32887 (11)0.31609 (13)1.04120 (14)0.0200 (5)
C32B0.21339 (12)0.35807 (14)0.96398 (14)0.0225 (5)
C33B0.35150 (12)0.29737 (13)0.80760 (15)0.0207 (5)
C34B0.44434 (11)0.32671 (12)1.01505 (14)0.0188 (5)
C35B0.47147 (12)0.32800 (14)0.88280 (15)0.0229 (5)
C36B0.33376 (15)0.43294 (14)0.81318 (17)0.0324 (7)
C37B0.38139 (12)0.44392 (14)1.03222 (16)0.0247 (5)
C38B0.28929 (13)0.50278 (14)0.91896 (16)0.0274 (6)
C39B0.42278 (14)0.49617 (15)0.91889 (18)0.0324 (7)
O110.1574 (5)0.9239 (5)0.2700 (6)0.048 (2)*0.25
H11O0.18050.91260.31090.072*0.25
C400.1575 (7)0.9966 (5)0.2638 (8)0.045 (3)*0.25
H40A0.16511.01630.31300.067*0.25
H40B0.11841.01150.23240.067*0.25
H40C0.18921.01020.24180.067*0.25
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru1A0.01660 (9)0.01669 (9)0.01359 (9)0.00121 (7)0.00484 (7)0.00157 (7)
Ru2A0.01694 (9)0.01977 (10)0.01422 (9)0.00106 (7)0.00547 (7)0.00060 (7)
Ru3A0.02564 (11)0.01627 (10)0.02350 (11)0.00219 (8)0.00913 (9)0.00056 (8)
P1A0.0161 (3)0.0175 (3)0.0128 (3)0.0016 (2)0.0028 (2)0.0018 (2)
P2A0.0163 (3)0.0210 (3)0.0134 (3)0.0013 (2)0.0041 (2)0.0005 (2)
O1A0.0313 (11)0.0381 (12)0.0194 (10)0.0038 (9)0.0041 (8)0.0050 (9)
O2A0.0283 (11)0.0374 (12)0.0171 (9)0.0088 (9)0.0016 (8)0.0012 (8)
O3A0.0257 (11)0.0491 (14)0.0309 (11)0.0043 (9)0.0124 (9)0.0054 (10)
O4A0.0268 (10)0.0366 (12)0.0189 (10)0.0024 (8)0.0042 (8)0.0006 (8)
O5A0.0289 (10)0.0339 (11)0.0176 (9)0.0050 (8)0.0028 (8)0.0040 (8)
O6A0.0332 (12)0.0565 (16)0.0381 (13)0.0153 (10)0.0203 (10)0.0029 (11)
O7A0.0771 (19)0.0372 (13)0.0275 (12)0.0025 (12)0.0167 (12)0.0075 (10)
O8A0.0439 (13)0.0367 (13)0.0293 (12)0.0007 (10)0.0058 (10)0.0047 (9)
O9A0.0382 (13)0.0356 (13)0.0440 (13)0.0092 (10)0.0159 (11)0.0035 (10)
O10A0.0492 (16)0.0561 (18)0.082 (2)0.0274 (13)0.0199 (15)0.0083 (15)
C1A0.0186 (12)0.0211 (12)0.0144 (11)0.0026 (9)0.0022 (9)0.0028 (9)
C2A0.0245 (13)0.0222 (13)0.0217 (13)0.0034 (10)0.0001 (10)0.0021 (10)
C3A0.0337 (15)0.0223 (14)0.0295 (15)0.0058 (11)0.0064 (12)0.0046 (11)
C4A0.0279 (15)0.0358 (17)0.0261 (15)0.0070 (12)0.0054 (12)0.0109 (12)
C5A0.0242 (13)0.0372 (16)0.0163 (12)0.0062 (11)0.0049 (10)0.0019 (11)
C6A0.0193 (12)0.0236 (13)0.0164 (12)0.0054 (10)0.0026 (9)0.0013 (10)
C7A0.0212 (12)0.0167 (11)0.0146 (11)0.0014 (9)0.0042 (9)0.0023 (9)
C8A0.0196 (12)0.0216 (12)0.0184 (12)0.0006 (10)0.0019 (10)0.0014 (10)
C9A0.0223 (13)0.0299 (15)0.0225 (14)0.0002 (11)0.0039 (10)0.0004 (11)
C10A0.0398 (17)0.0275 (15)0.0157 (13)0.0007 (12)0.0049 (11)0.0009 (11)
C11A0.0411 (17)0.0258 (14)0.0163 (13)0.0008 (12)0.0085 (12)0.0017 (10)
C12A0.0301 (14)0.0233 (14)0.0170 (12)0.0017 (11)0.0074 (10)0.0014 (10)
C13A0.0177 (12)0.0192 (12)0.0225 (13)0.0003 (9)0.0014 (10)0.0020 (10)
C14A0.0191 (11)0.0204 (12)0.0144 (11)0.0028 (9)0.0028 (9)0.0001 (9)
C15A0.0211 (12)0.0255 (14)0.0189 (12)0.0032 (10)0.0038 (10)0.0022 (10)
C16A0.0248 (14)0.0318 (15)0.0202 (13)0.0042 (11)0.0002 (10)0.0010 (11)
C17A0.0393 (17)0.0338 (16)0.0166 (13)0.0105 (13)0.0040 (12)0.0036 (11)
C18A0.0392 (17)0.0330 (16)0.0238 (14)0.0058 (13)0.0163 (13)0.0064 (12)
C19A0.0238 (13)0.0266 (14)0.0202 (13)0.0022 (10)0.0075 (10)0.0032 (10)
C20A0.0205 (12)0.0319 (15)0.0190 (13)0.0038 (10)0.0055 (10)0.0075 (11)
C21A0.0435 (19)0.0370 (18)0.0323 (17)0.0137 (14)0.0145 (14)0.0036 (13)
C22A0.059 (2)0.046 (2)0.049 (2)0.0193 (18)0.0177 (19)0.0128 (17)
C23A0.0389 (19)0.063 (2)0.0369 (19)0.0066 (16)0.0172 (15)0.0217 (17)
C24A0.0305 (16)0.059 (2)0.0217 (15)0.0043 (14)0.0117 (12)0.0141 (14)
C25A0.0169 (12)0.0422 (17)0.0185 (13)0.0017 (11)0.0049 (10)0.0059 (11)
C26A0.0384 (17)0.0213 (14)0.0291 (15)0.0058 (12)0.0066 (13)0.0044 (11)
C27A0.0192 (13)0.0432 (18)0.0289 (15)0.0019 (12)0.0047 (11)0.0063 (13)
C28A0.0187 (13)0.0449 (18)0.0266 (15)0.0008 (12)0.0035 (11)0.0111 (13)
C29A0.123 (4)0.034 (2)0.048 (2)0.036 (2)0.032 (2)0.0086 (17)
C30A0.0247 (13)0.0215 (13)0.0209 (13)0.0000 (10)0.0093 (10)0.0010 (10)
C31A0.0203 (12)0.0208 (13)0.0245 (13)0.0056 (10)0.0083 (10)0.0038 (10)
C32A0.0261 (13)0.0257 (14)0.0163 (12)0.0010 (10)0.0069 (10)0.0020 (10)
C33A0.0186 (12)0.0238 (13)0.0231 (13)0.0005 (10)0.0072 (10)0.0030 (10)
C34A0.0229 (13)0.0213 (13)0.0229 (13)0.0040 (10)0.0084 (10)0.0003 (10)
C35A0.0272 (14)0.0311 (15)0.0172 (13)0.0017 (11)0.0042 (11)0.0001 (11)
C36A0.0451 (18)0.0233 (15)0.0306 (16)0.0041 (13)0.0139 (14)0.0027 (12)
C37A0.0267 (14)0.0233 (14)0.0300 (15)0.0001 (11)0.0074 (12)0.0021 (11)
C38A0.0369 (16)0.0233 (14)0.0245 (14)0.0017 (12)0.0112 (12)0.0000 (11)
C39A0.0377 (18)0.0317 (17)0.0440 (19)0.0095 (13)0.0120 (15)0.0040 (14)
Ru1B0.01691 (9)0.01596 (9)0.01461 (9)0.00020 (7)0.00479 (7)0.00098 (7)
Ru2B0.01516 (9)0.01599 (9)0.01511 (9)0.00012 (7)0.00360 (7)0.00120 (7)
Ru3B0.02252 (10)0.01495 (10)0.02291 (10)0.00039 (8)0.00702 (8)0.00141 (8)
P1B0.0145 (3)0.0167 (3)0.0140 (3)0.0004 (2)0.0035 (2)0.0006 (2)
P2B0.0142 (3)0.0167 (3)0.0160 (3)0.0008 (2)0.0029 (2)0.0012 (2)
O1B0.0390 (12)0.0398 (13)0.0188 (10)0.0066 (10)0.0046 (9)0.0031 (9)
O2B0.0253 (10)0.0347 (11)0.0209 (10)0.0059 (8)0.0034 (8)0.0001 (8)
O3B0.0278 (11)0.0435 (13)0.0329 (11)0.0073 (9)0.0118 (9)0.0070 (10)
O4B0.0276 (10)0.0290 (11)0.0191 (9)0.0013 (8)0.0028 (8)0.0003 (8)
O5B0.0245 (10)0.0255 (10)0.0221 (10)0.0000 (8)0.0001 (8)0.0010 (8)
O6B0.0268 (11)0.0484 (14)0.0329 (12)0.0059 (9)0.0148 (9)0.0011 (10)
O7B0.088 (2)0.0315 (13)0.0271 (12)0.0007 (12)0.0163 (12)0.0076 (10)
O8B0.0356 (12)0.0347 (12)0.0275 (11)0.0008 (9)0.0058 (9)0.0039 (9)
O9B0.0365 (13)0.0320 (12)0.0586 (15)0.0115 (10)0.0156 (11)0.0031 (11)
O10B0.0368 (14)0.0525 (16)0.0769 (19)0.0138 (12)0.0176 (13)0.0188 (14)
C1B0.0213 (12)0.0166 (11)0.0154 (11)0.0029 (9)0.0049 (9)0.0011 (9)
C2B0.0185 (12)0.0221 (13)0.0193 (12)0.0027 (9)0.0036 (10)0.0010 (10)
C3B0.0230 (13)0.0291 (14)0.0189 (13)0.0050 (11)0.0001 (10)0.0030 (11)
C4B0.0442 (18)0.0309 (16)0.0175 (13)0.0134 (13)0.0069 (12)0.0043 (11)
C5B0.0384 (16)0.0294 (15)0.0216 (14)0.0102 (12)0.0156 (12)0.0082 (11)
C6B0.0242 (13)0.0217 (13)0.0240 (13)0.0030 (10)0.0106 (11)0.0037 (10)
C7B0.0173 (11)0.0194 (12)0.0155 (11)0.0005 (9)0.0037 (9)0.0024 (9)
C8B0.0216 (12)0.0197 (12)0.0216 (13)0.0008 (10)0.0050 (10)0.0011 (10)
C9B0.0322 (15)0.0224 (14)0.0304 (15)0.0030 (11)0.0134 (12)0.0021 (11)
C10B0.0335 (15)0.0291 (15)0.0263 (14)0.0029 (12)0.0135 (12)0.0097 (12)
C11B0.0230 (13)0.0313 (15)0.0185 (13)0.0029 (11)0.0061 (10)0.0020 (11)
C12B0.0169 (11)0.0226 (12)0.0184 (12)0.0005 (9)0.0038 (9)0.0011 (10)
C13B0.0163 (11)0.0178 (12)0.0252 (13)0.0005 (9)0.0020 (10)0.0033 (10)
C14B0.0188 (12)0.0202 (12)0.0187 (12)0.0015 (9)0.0008 (9)0.0024 (10)
C15B0.0251 (13)0.0210 (13)0.0259 (14)0.0026 (10)0.0024 (11)0.0018 (11)
C16B0.0465 (19)0.0236 (15)0.0312 (16)0.0081 (13)0.0067 (14)0.0057 (12)
C17B0.059 (2)0.0371 (19)0.0301 (17)0.0154 (16)0.0111 (15)0.0125 (14)
C18B0.0442 (18)0.0375 (18)0.0184 (14)0.0064 (14)0.0066 (13)0.0039 (12)
C19B0.0256 (14)0.0267 (14)0.0194 (13)0.0032 (11)0.0051 (10)0.0010 (10)
C20B0.0200 (12)0.0163 (11)0.0161 (11)0.0011 (9)0.0046 (9)0.0014 (9)
C21B0.0211 (12)0.0178 (12)0.0196 (12)0.0010 (9)0.0035 (10)0.0010 (10)
C22B0.0229 (13)0.0224 (13)0.0227 (13)0.0021 (10)0.0024 (10)0.0002 (10)
C23B0.0380 (17)0.0267 (15)0.0188 (13)0.0042 (12)0.0007 (12)0.0003 (11)
C24B0.0443 (18)0.0322 (16)0.0167 (13)0.0041 (13)0.0127 (12)0.0018 (11)
C25B0.0256 (13)0.0245 (14)0.0237 (13)0.0035 (10)0.0088 (11)0.0018 (11)
C26B0.0192 (13)0.0375 (16)0.0233 (14)0.0043 (11)0.0017 (11)0.0020 (12)
C27B0.0394 (16)0.0201 (13)0.0252 (14)0.0091 (11)0.0105 (12)0.0038 (11)
C28B0.0269 (14)0.0195 (13)0.0397 (17)0.0025 (11)0.0115 (12)0.0036 (12)
C29B0.0170 (12)0.0331 (16)0.0260 (14)0.0019 (11)0.0043 (10)0.0028 (11)
C30B0.0267 (13)0.0199 (13)0.0229 (13)0.0008 (10)0.0104 (11)0.0024 (10)
C31B0.0194 (12)0.0192 (12)0.0217 (13)0.0048 (9)0.0063 (10)0.0029 (10)
C32B0.0245 (13)0.0252 (14)0.0177 (12)0.0019 (10)0.0058 (10)0.0035 (10)
C33B0.0196 (12)0.0193 (12)0.0233 (13)0.0015 (9)0.0060 (10)0.0038 (10)
C34B0.0175 (11)0.0167 (12)0.0220 (13)0.0012 (9)0.0056 (10)0.0002 (10)
C35B0.0213 (12)0.0255 (13)0.0199 (13)0.0013 (10)0.0027 (10)0.0012 (10)
C36B0.0477 (19)0.0186 (14)0.0315 (16)0.0011 (12)0.0124 (14)0.0040 (12)
C37B0.0250 (13)0.0214 (13)0.0284 (14)0.0014 (10)0.0089 (11)0.0001 (11)
C38B0.0308 (15)0.0212 (14)0.0303 (15)0.0018 (11)0.0090 (12)0.0010 (11)
C39B0.0264 (15)0.0307 (16)0.0398 (17)0.0023 (12)0.0090 (13)0.0072 (13)
Geometric parameters (Å, º) top
Ru1A—C32A1.902 (3)Ru1B—P1B2.3450 (7)
Ru1A—C30A1.933 (3)Ru1B—Ru2B2.8429 (3)
Ru1A—C31A1.934 (3)Ru1B—Ru3B2.8554 (3)
Ru1A—P1A2.3451 (7)Ru2B—C35B1.895 (3)
Ru1A—Ru2A2.8350 (3)Ru2B—C34B1.931 (3)
Ru1A—Ru3A2.8420 (3)Ru2B—C33B1.931 (3)
Ru2A—C35A1.892 (3)Ru2B—P2B2.3459 (7)
Ru2A—C33A1.927 (3)Ru2B—Ru3B2.8442 (3)
Ru2A—C34A1.935 (3)Ru3B—C38B1.909 (3)
Ru2A—P2A2.3422 (7)Ru3B—C39B1.923 (3)
Ru2A—Ru3A2.8280 (3)Ru3B—C36B1.941 (3)
Ru3A—C38A1.906 (3)Ru3B—C37B1.953 (3)
Ru3A—C39A1.918 (3)P1B—C1B1.831 (2)
Ru3A—C36A1.940 (3)P1B—C13B1.850 (2)
Ru3A—C37A1.954 (3)P1B—C7B1.855 (2)
P1A—C7A1.842 (2)P2B—C14B1.840 (3)
P1A—C1A1.843 (2)P2B—C20B1.842 (2)
P1A—C13A1.869 (3)P2B—C13B1.865 (3)
P2A—C14A1.832 (2)O1B—C30B1.141 (3)
P2A—C13A1.843 (3)O2B—C31B1.144 (3)
P2A—C20A1.846 (3)O3B—C32B1.146 (3)
O1A—C30A1.141 (3)O4B—C33B1.146 (3)
O2A—C31A1.145 (3)O5B—C34B1.142 (3)
O3A—C32A1.139 (3)O6B—C35B1.150 (3)
O4A—C33A1.146 (3)O7B—C36B1.132 (3)
O5A—C34A1.143 (3)O8B—C37B1.131 (3)
O6A—C35A1.155 (3)O9B—C38B1.145 (3)
O7A—C36A1.134 (3)O10B—C39B1.123 (3)
O8A—C37A1.131 (3)C1B—C6B1.398 (3)
O9A—C38A1.147 (3)C1B—C2B1.404 (3)
O10A—C39A1.131 (4)C2B—C3B1.400 (4)
C1A—C6A1.397 (3)C2B—C26B1.507 (4)
C1A—C2A1.410 (4)C3B—C4B1.381 (4)
C2A—C3A1.395 (4)C3B—H3BA0.9300
C2A—C26A1.513 (4)C4B—C5B1.384 (4)
C3A—C4A1.381 (4)C4B—H4BA0.9300
C3A—H3AA0.9300C5B—C6B1.387 (4)
C4A—C5A1.374 (4)C5B—H5BA0.9300
C4A—H4AA0.9300C6B—H6BA0.9300
C5A—C6A1.386 (3)C7B—C12B1.396 (3)
C5A—H5AA0.9300C7B—C8B1.417 (3)
C6A—H6AA0.9300C8B—C9B1.383 (4)
C7A—C12A1.401 (3)C8B—C27B1.513 (4)
C7A—C8A1.406 (3)C9B—C10B1.396 (4)
C8A—C9A1.394 (3)C9B—H9BA0.9300
C8A—C27A1.510 (4)C10B—C11B1.382 (4)
C9A—C10A1.373 (4)C10B—H10B0.9300
C9A—H9AA0.9300C11B—C12B1.388 (3)
C10A—C11A1.394 (4)C11B—H11B0.9300
C10A—H10A0.9300C12B—H12B0.9300
C11A—C12A1.389 (4)C13B—H13C0.9700
C11A—H11A0.9300C13B—H13D0.9700
C12A—H12A0.9300C14B—C19B1.400 (4)
C13A—H13A0.9700C14B—C15B1.412 (4)
C13A—H13B0.9700C15B—C16B1.391 (4)
C14A—C19A1.399 (3)C15B—C28B1.514 (4)
C14A—C15A1.407 (3)C16B—C17B1.370 (4)
C15A—C16A1.395 (4)C16B—H16B0.9300
C15A—C28A1.507 (4)C17B—C18B1.374 (4)
C16A—C17A1.372 (4)C17B—H17B0.9300
C16A—H16A0.9300C18B—C19B1.382 (4)
C17A—C18A1.390 (4)C18B—H18B0.9300
C17A—H17A0.9300C19B—H19B0.9300
C18A—C19A1.389 (4)C20B—C21B1.401 (3)
C18A—H18A0.9300C20B—C25B1.407 (3)
C19A—H19A0.9300C21B—C22B1.398 (3)
C20A—C25A1.394 (4)C21B—C29B1.517 (4)
C20A—C21A1.404 (4)C22B—C23B1.376 (4)
C21A—C22A1.394 (4)C22B—H22B0.9300
C21A—C29A1.513 (5)C23B—C24B1.389 (4)
C22A—C23A1.391 (5)C23B—H23B0.9300
C22A—H22A0.9300C24B—C25B1.386 (4)
C23A—C24A1.368 (5)C24B—H24B0.9300
C23A—H23A0.9300C25B—H25B0.9300
C24A—C25A1.395 (4)C26B—H26D0.9600
C24A—H24A0.9300C26B—H26E0.9600
C25A—H25A0.9300C26B—H26F0.9600
C26A—H26A0.9600C27B—H27D0.9600
C26A—H26B0.9600C27B—H27E0.9600
C26A—H26C0.9600C27B—H27F0.9600
C27A—H27A0.9600C28B—H28D0.9600
C27A—H27B0.9600C28B—H28E0.9600
C27A—H27C0.9600C28B—H28F0.9600
C28A—H28A0.9600C29B—H29D0.9600
C28A—H28B0.9600C29B—H29E0.9600
C28A—H28C0.9600C29B—H29F0.9600
C29A—H29A0.9600O11—C401.452 (9)
C29A—H29B0.9600O11—H11O0.8200
C29A—H29C0.9600C40—H40A0.9600
Ru1B—C32B1.894 (3)C40—H40B0.9600
Ru1B—C30B1.931 (3)C40—H40C0.9600
Ru1B—C31B1.936 (3)
C32A—Ru1A—C30A88.63 (11)C30B—Ru1B—P1B91.44 (8)
C32A—Ru1A—C31A91.96 (11)C31B—Ru1B—P1B95.74 (8)
C30A—Ru1A—C31A173.81 (11)C32B—Ru1B—Ru2B165.78 (8)
C32A—Ru1A—P1A103.18 (8)C30B—Ru1B—Ru2B95.00 (8)
C30A—Ru1A—P1A91.17 (8)C31B—Ru1B—Ru2B83.35 (7)
C31A—Ru1A—P1A94.69 (8)P1B—Ru1B—Ru2B91.367 (17)
C32A—Ru1A—Ru2A162.77 (8)C32B—Ru1B—Ru3B107.27 (8)
C30A—Ru1A—Ru2A96.43 (8)C30B—Ru1B—Ru3B82.15 (8)
C31A—Ru1A—Ru2A81.29 (7)C31B—Ru1B—Ru3B90.87 (7)
P1A—Ru1A—Ru2A93.205 (17)P1B—Ru1B—Ru3B149.568 (17)
C32A—Ru1A—Ru3A104.63 (8)Ru2B—Ru1B—Ru3B59.886 (7)
C30A—Ru1A—Ru3A84.31 (8)C35B—Ru2B—C34B89.26 (11)
C31A—Ru1A—Ru3A89.57 (7)C35B—Ru2B—C33B91.97 (11)
P1A—Ru1A—Ru3A151.682 (18)C34B—Ru2B—C33B175.99 (11)
Ru2A—Ru1A—Ru3A59.755 (7)C35B—Ru2B—P2B105.74 (8)
C35A—Ru2A—C33A92.38 (11)C34B—Ru2B—P2B89.41 (7)
C35A—Ru2A—C34A89.15 (11)C33B—Ru2B—P2B93.92 (8)
C33A—Ru2A—C34A176.84 (11)C35B—Ru2B—Ru1B160.45 (8)
C35A—Ru2A—P2A106.36 (9)C34B—Ru2B—Ru1B93.99 (7)
C33A—Ru2A—P2A91.90 (8)C33B—Ru2B—Ru1B83.58 (7)
C34A—Ru2A—P2A90.32 (8)P2B—Ru2B—Ru1B93.579 (17)
C35A—Ru2A—Ru3A101.80 (9)C35B—Ru2B—Ru3B101.25 (8)
C33A—Ru2A—Ru3A93.94 (8)C34B—Ru2B—Ru3B82.08 (7)
C34A—Ru2A—Ru3A83.04 (8)C33B—Ru2B—Ru3B93.94 (8)
P2A—Ru2A—Ru3A150.948 (18)P2B—Ru2B—Ru3B151.558 (18)
C35A—Ru2A—Ru1A160.20 (9)Ru1B—Ru2B—Ru3B60.275 (7)
C33A—Ru2A—Ru1A81.39 (7)C38B—Ru3B—C39B104.77 (13)
C34A—Ru2A—Ru1A96.26 (8)C38B—Ru3B—C36B93.83 (13)
P2A—Ru2A—Ru1A92.682 (17)C39B—Ru3B—C36B88.26 (13)
Ru3A—Ru2A—Ru1A60.246 (7)C38B—Ru3B—C37B91.40 (12)
C38A—Ru3A—C39A106.69 (14)C39B—Ru3B—C37B89.77 (12)
C38A—Ru3A—C36A92.55 (13)C36B—Ru3B—C37B174.73 (12)
C39A—Ru3A—C36A89.22 (14)C38B—Ru3B—Ru2B152.18 (9)
C38A—Ru3A—C37A92.02 (12)C39B—Ru3B—Ru2B102.29 (9)
C39A—Ru3A—C37A88.92 (13)C36B—Ru3B—Ru2B80.57 (9)
C36A—Ru3A—C37A175.40 (13)C37B—Ru3B—Ru2B95.08 (8)
C38A—Ru3A—Ru2A151.28 (9)C38B—Ru3B—Ru1B93.62 (8)
C39A—Ru3A—Ru2A101.28 (10)C39B—Ru3B—Ru1B161.40 (9)
C36A—Ru3A—Ru2A81.29 (9)C36B—Ru3B—Ru1B93.28 (9)
C37A—Ru3A—Ru2A94.94 (8)C37B—Ru3B—Ru1B87.04 (8)
C38A—Ru3A—Ru1A92.61 (9)Ru2B—Ru3B—Ru1B59.839 (8)
C39A—Ru3A—Ru1A160.47 (10)C1B—P1B—C13B104.00 (12)
C36A—Ru3A—Ru1A92.96 (9)C1B—P1B—C7B107.70 (11)
C37A—Ru3A—Ru1A87.40 (8)C13B—P1B—C7B96.33 (11)
Ru2A—Ru3A—Ru1A59.999 (8)C1B—P1B—Ru1B112.59 (8)
C7A—P1A—C1A106.67 (11)C13B—P1B—Ru1B114.74 (8)
C7A—P1A—C13A102.74 (11)C7B—P1B—Ru1B119.41 (8)
C1A—P1A—C13A99.85 (12)C14B—P2B—C20B105.50 (11)
C7A—P1A—Ru1A112.52 (8)C14B—P2B—C13B100.68 (12)
C1A—P1A—Ru1A118.21 (8)C20B—P2B—C13B103.39 (11)
C13A—P1A—Ru1A115.05 (8)C14B—P2B—Ru2B119.59 (9)
C14A—P2A—C13A104.04 (12)C20B—P2B—Ru2B111.42 (8)
C14A—P2A—C20A107.04 (12)C13B—P2B—Ru2B114.50 (8)
C13A—P2A—C20A99.22 (12)C6B—C1B—C2B119.4 (2)
C14A—P2A—Ru2A113.14 (8)C6B—C1B—P1B119.59 (19)
C13A—P2A—Ru2A114.00 (8)C2B—C1B—P1B120.94 (19)
C20A—P2A—Ru2A117.72 (10)C3B—C2B—C1B118.2 (2)
C6A—C1A—C2A119.0 (2)C3B—C2B—C26B118.7 (2)
C6A—C1A—P1A117.20 (19)C1B—C2B—C26B123.1 (2)
C2A—C1A—P1A123.71 (19)C4B—C3B—C2B121.9 (3)
C3A—C2A—C1A117.7 (3)C4B—C3B—H3BA119.1
C3A—C2A—C26A117.7 (2)C2B—C3B—H3BA119.1
C1A—C2A—C26A124.6 (2)C3B—C4B—C5B119.9 (3)
C4A—C3A—C2A122.4 (3)C3B—C4B—H4BA120.1
C4A—C3A—H3AA118.8C5B—C4B—H4BA120.1
C2A—C3A—H3AA118.8C4B—C5B—C6B119.3 (3)
C5A—C4A—C3A120.0 (3)C4B—C5B—H5BA120.3
C5A—C4A—H4AA120.0C6B—C5B—H5BA120.3
C3A—C4A—H4AA120.0C5B—C6B—C1B121.4 (3)
C4A—C5A—C6A118.9 (3)C5B—C6B—H6BA119.3
C4A—C5A—H5AA120.6C1B—C6B—H6BA119.3
C6A—C5A—H5AA120.6C12B—C7B—C8B119.2 (2)
C5A—C6A—C1A122.1 (2)C12B—C7B—P1B114.88 (18)
C5A—C6A—H6AA119.0C8B—C7B—P1B125.31 (19)
C1A—C6A—H6AA119.0C9B—C8B—C7B117.6 (2)
C12A—C7A—C8A119.1 (2)C9B—C8B—C27B117.5 (2)
C12A—C7A—P1A119.11 (19)C7B—C8B—C27B124.9 (2)
C8A—C7A—P1A121.65 (18)C8B—C9B—C10B123.0 (3)
C9A—C8A—C7A118.0 (2)C8B—C9B—H9BA118.5
C9A—C8A—C27A118.3 (2)C10B—C9B—H9BA118.5
C7A—C8A—C27A123.7 (2)C11B—C10B—C9B119.1 (3)
C10A—C9A—C8A122.8 (3)C11B—C10B—H10B120.5
C10A—C9A—H9AA118.6C9B—C10B—H10B120.5
C8A—C9A—H9AA118.6C10B—C11B—C12B119.2 (3)
C9A—C10A—C11A119.4 (2)C10B—C11B—H11B120.4
C9A—C10A—H10A120.3C12B—C11B—H11B120.4
C11A—C10A—H10A120.3C11B—C12B—C7B121.9 (2)
C12A—C11A—C10A119.1 (3)C11B—C12B—H12B119.0
C12A—C11A—H11A120.5C7B—C12B—H12B119.0
C10A—C11A—H11A120.5P1B—C13B—P2B117.59 (14)
C11A—C12A—C7A121.6 (3)P1B—C13B—H13C107.9
C11A—C12A—H12A119.2P2B—C13B—H13C107.9
C7A—C12A—H12A119.2P1B—C13B—H13D107.9
P2A—C13A—P1A118.00 (14)P2B—C13B—H13D107.9
P2A—C13A—H13A107.8H13C—C13B—H13D107.2
P1A—C13A—H13A107.8C19B—C14B—C15B119.1 (2)
P2A—C13A—H13B107.8C19B—C14B—P2B117.6 (2)
P1A—C13A—H13B107.8C15B—C14B—P2B123.3 (2)
H13A—C13A—H13B107.1C16B—C15B—C14B117.6 (3)
C19A—C14A—C15A119.4 (2)C16B—C15B—C28B118.4 (3)
C19A—C14A—P2A119.82 (19)C14B—C15B—C28B124.1 (2)
C15A—C14A—P2A120.64 (19)C17B—C16B—C15B122.6 (3)
C16A—C15A—C14A118.1 (2)C17B—C16B—H16B118.7
C16A—C15A—C28A118.8 (2)C15B—C16B—H16B118.7
C14A—C15A—C28A123.0 (2)C16B—C17B—C18B119.9 (3)
C17A—C16A—C15A122.2 (3)C16B—C17B—H17B120.1
C17A—C16A—H16A118.9C18B—C17B—H17B120.1
C15A—C16A—H16A118.9C17B—C18B—C19B119.4 (3)
C16A—C17A—C18A119.8 (3)C17B—C18B—H18B120.3
C16A—C17A—H17A120.1C19B—C18B—H18B120.3
C18A—C17A—H17A120.1C18B—C19B—C14B121.4 (3)
C19A—C18A—C17A119.4 (3)C18B—C19B—H19B119.3
C19A—C18A—H18A120.3C14B—C19B—H19B119.3
C17A—C18A—H18A120.3C21B—C20B—C25B118.8 (2)
C18A—C19A—C14A121.0 (3)C21B—C20B—P2B120.95 (18)
C18A—C19A—H19A119.5C25B—C20B—P2B120.01 (19)
C14A—C19A—H19A119.5C22B—C21B—C20B118.6 (2)
C25A—C20A—C21A118.7 (3)C22B—C21B—C29B117.7 (2)
C25A—C20A—P2A115.9 (2)C20B—C21B—C29B123.7 (2)
C21A—C20A—P2A125.3 (2)C23B—C22B—C21B122.3 (3)
C22A—C21A—C20A118.3 (3)C23B—C22B—H22B118.8
C22A—C21A—C29A118.0 (3)C21B—C22B—H22B118.8
C20A—C21A—C29A123.7 (3)C22B—C23B—C24B119.2 (3)
C23A—C22A—C21A122.1 (3)C22B—C23B—H23B120.4
C23A—C22A—H22A118.9C24B—C23B—H23B120.4
C21A—C22A—H22A118.9C25B—C24B—C23B119.7 (3)
C24A—C23A—C22A119.7 (3)C25B—C24B—H24B120.1
C24A—C23A—H23A120.2C23B—C24B—H24B120.1
C22A—C23A—H23A120.2C24B—C25B—C20B121.3 (3)
C23A—C24A—C25A119.1 (3)C24B—C25B—H25B119.4
C23A—C24A—H24A120.5C20B—C25B—H25B119.4
C25A—C24A—H24A120.5C2B—C26B—H26D109.5
C20A—C25A—C24A122.1 (3)C2B—C26B—H26E109.5
C20A—C25A—H25A118.9H26D—C26B—H26E109.5
C24A—C25A—H25A118.9C2B—C26B—H26F109.5
C2A—C26A—H26A109.5H26D—C26B—H26F109.5
C2A—C26A—H26B109.5H26E—C26B—H26F109.5
H26A—C26A—H26B109.5C8B—C27B—H27D109.5
C2A—C26A—H26C109.5C8B—C27B—H27E109.5
H26A—C26A—H26C109.5H27D—C27B—H27E109.5
H26B—C26A—H26C109.5C8B—C27B—H27F109.5
C8A—C27A—H27A109.5H27D—C27B—H27F109.5
C8A—C27A—H27B109.5H27E—C27B—H27F109.5
H27A—C27A—H27B109.5C15B—C28B—H28D109.5
C8A—C27A—H27C109.5C15B—C28B—H28E109.5
H27A—C27A—H27C109.5H28D—C28B—H28E109.5
H27B—C27A—H27C109.5C15B—C28B—H28F109.5
C15A—C28A—H28A109.5H28D—C28B—H28F109.5
C15A—C28A—H28B109.5H28E—C28B—H28F109.5
H28A—C28A—H28B109.5C21B—C29B—H29D109.5
C15A—C28A—H28C109.5C21B—C29B—H29E109.5
H28A—C28A—H28C109.5H29D—C29B—H29E109.5
H28B—C28A—H28C109.5C21B—C29B—H29F109.5
C21A—C29A—H29A109.5H29D—C29B—H29F109.5
C21A—C29A—H29B109.5H29E—C29B—H29F109.5
H29A—C29A—H29B109.5O1B—C30B—Ru1B172.9 (2)
C21A—C29A—H29C109.5O2B—C31B—Ru1B173.6 (2)
H29A—C29A—H29C109.5O3B—C32B—Ru1B178.7 (2)
H29B—C29A—H29C109.5O4B—C33B—Ru2B173.8 (2)
O1A—C30A—Ru1A173.6 (2)O5B—C34B—Ru2B173.5 (2)
O2A—C31A—Ru1A173.0 (2)O6B—C35B—Ru2B178.1 (3)
O3A—C32A—Ru1A179.4 (3)O7B—C36B—Ru3B171.9 (3)
O4A—C33A—Ru2A173.2 (2)O8B—C37B—Ru3B172.4 (2)
O5A—C34A—Ru2A172.5 (2)O9B—C38B—Ru3B178.4 (3)
O6A—C35A—Ru2A178.7 (3)O10B—C39B—Ru3B178.6 (3)
O7A—C36A—Ru3A172.2 (3)C40—O11—H11O109.5
O8A—C37A—Ru3A172.4 (3)O11—C40—H40A109.5
O9A—C38A—Ru3A178.2 (3)O11—C40—H40B109.5
O10A—C39A—Ru3A179.1 (3)H40A—C40—H40B109.5
C32B—Ru1B—C30B88.74 (11)O11—C40—H40C109.5
C32B—Ru1B—C31B91.19 (11)H40A—C40—H40C109.5
C30B—Ru1B—C31B172.66 (11)H40B—C40—H40C109.5
C32B—Ru1B—P1B102.27 (8)
C32A—Ru1A—Ru2A—C35A53.6 (4)C32B—Ru1B—Ru2B—C35B47.5 (4)
C30A—Ru1A—Ru2A—C35A52.7 (3)C30B—Ru1B—Ru2B—C35B57.3 (3)
C31A—Ru1A—Ru2A—C35A121.5 (3)C31B—Ru1B—Ru2B—C35B115.5 (2)
P1A—Ru1A—Ru2A—C35A144.3 (2)P1B—Ru1B—Ru2B—C35B148.9 (2)
Ru3A—Ru1A—Ru2A—C35A26.8 (2)Ru3B—Ru1B—Ru2B—C35B20.6 (2)
C32A—Ru1A—Ru2A—C33A126.4 (3)C32B—Ru1B—Ru2B—C34B51.6 (3)
C30A—Ru1A—Ru2A—C33A20.02 (11)C30B—Ru1B—Ru2B—C34B156.44 (11)
C31A—Ru1A—Ru2A—C33A165.78 (11)C31B—Ru1B—Ru2B—C34B16.36 (10)
P1A—Ru1A—Ru2A—C33A71.52 (8)P1B—Ru1B—Ru2B—C34B111.99 (8)
Ru3A—Ru1A—Ru2A—C33A99.59 (8)Ru3B—Ru1B—Ru2B—C34B78.53 (7)
C32A—Ru1A—Ru2A—C34A51.5 (3)C32B—Ru1B—Ru2B—C33B125.2 (3)
C30A—Ru1A—Ru2A—C34A157.84 (11)C30B—Ru1B—Ru2B—C33B20.35 (11)
C31A—Ru1A—Ru2A—C34A16.35 (11)C31B—Ru1B—Ru2B—C33B166.84 (11)
P1A—Ru1A—Ru2A—C34A110.61 (8)P1B—Ru1B—Ru2B—C33B71.22 (8)
Ru3A—Ru1A—Ru2A—C34A78.28 (8)Ru3B—Ru1B—Ru2B—C33B98.27 (8)
C32A—Ru1A—Ru2A—P2A142.1 (3)C32B—Ru1B—Ru2B—P2B141.3 (3)
C30A—Ru1A—Ru2A—P2A111.54 (8)C30B—Ru1B—Ru2B—P2B113.90 (8)
C31A—Ru1A—Ru2A—P2A74.27 (8)C31B—Ru1B—Ru2B—P2B73.29 (8)
P1A—Ru1A—Ru2A—P2A20.00 (2)P1B—Ru1B—Ru2B—P2B22.33 (2)
Ru3A—Ru1A—Ru2A—P2A168.890 (18)Ru3B—Ru1B—Ru2B—P2B168.180 (18)
C32A—Ru1A—Ru2A—Ru3A26.8 (3)C32B—Ru1B—Ru2B—Ru3B26.9 (3)
C30A—Ru1A—Ru2A—Ru3A79.57 (8)C30B—Ru1B—Ru2B—Ru3B77.92 (8)
C31A—Ru1A—Ru2A—Ru3A94.62 (8)C31B—Ru1B—Ru2B—Ru3B94.89 (7)
P1A—Ru1A—Ru2A—Ru3A171.113 (17)P1B—Ru1B—Ru2B—Ru3B169.488 (18)
C35A—Ru2A—Ru3A—C38A151.75 (19)C35B—Ru2B—Ru3B—C38B153.9 (2)
C33A—Ru2A—Ru3A—C38A58.48 (19)C34B—Ru2B—Ru3B—C38B118.4 (2)
C34A—Ru2A—Ru3A—C38A120.59 (19)C33B—Ru2B—Ru3B—C38B61.1 (2)
P2A—Ru2A—Ru3A—C38A42.61 (18)P2B—Ru2B—Ru3B—C38B44.60 (19)
Ru1A—Ru2A—Ru3A—C38A19.26 (17)Ru1B—Ru2B—Ru3B—C38B19.18 (18)
C35A—Ru2A—Ru3A—C39A14.99 (13)C35B—Ru2B—Ru3B—C39B12.43 (12)
C33A—Ru2A—Ru3A—C39A108.25 (13)C34B—Ru2B—Ru3B—C39B75.23 (12)
C34A—Ru2A—Ru3A—C39A72.68 (13)C33B—Ru2B—Ru3B—C39B105.23 (12)
P2A—Ru2A—Ru3A—C39A150.65 (11)P2B—Ru2B—Ru3B—C39B149.04 (10)
Ru1A—Ru2A—Ru3A—C39A174.00 (10)Ru1B—Ru2B—Ru3B—C39B174.46 (10)
C35A—Ru2A—Ru3A—C36A72.46 (12)C35B—Ru2B—Ru3B—C36B73.70 (12)
C33A—Ru2A—Ru3A—C36A20.81 (12)C34B—Ru2B—Ru3B—C36B161.35 (12)
C34A—Ru2A—Ru3A—C36A160.12 (12)C33B—Ru2B—Ru3B—C36B19.11 (12)
P2A—Ru2A—Ru3A—C36A121.90 (10)P2B—Ru2B—Ru3B—C36B124.84 (10)
Ru1A—Ru2A—Ru3A—C36A98.55 (9)Ru1B—Ru2B—Ru3B—C36B99.42 (10)
C35A—Ru2A—Ru3A—C37A104.87 (12)C35B—Ru2B—Ru3B—C37B103.30 (11)
C33A—Ru2A—Ru3A—C37A161.86 (11)C34B—Ru2B—Ru3B—C37B15.64 (11)
C34A—Ru2A—Ru3A—C37A17.21 (11)C33B—Ru2B—Ru3B—C37B163.90 (11)
P2A—Ru2A—Ru3A—C37A60.77 (9)P2B—Ru2B—Ru3B—C37B58.17 (9)
Ru1A—Ru2A—Ru3A—C37A84.12 (8)Ru1B—Ru2B—Ru3B—C37B83.59 (8)
C35A—Ru2A—Ru3A—Ru1A171.01 (8)C35B—Ru2B—Ru3B—Ru1B173.11 (8)
C33A—Ru2A—Ru3A—Ru1A77.74 (7)C34B—Ru2B—Ru3B—Ru1B99.23 (7)
C34A—Ru2A—Ru3A—Ru1A101.33 (7)C33B—Ru2B—Ru3B—Ru1B80.31 (7)
P2A—Ru2A—Ru3A—Ru1A23.35 (4)P2B—Ru2B—Ru3B—Ru1B25.42 (4)
C32A—Ru1A—Ru3A—C38A17.06 (12)C32B—Ru1B—Ru3B—C38B15.52 (12)
C30A—Ru1A—Ru3A—C38A70.02 (11)C30B—Ru1B—Ru3B—C38B70.69 (12)
C31A—Ru1A—Ru3A—C38A108.97 (11)C31B—Ru1B—Ru3B—C38B107.04 (11)
P1A—Ru1A—Ru3A—C38A151.89 (9)P1B—Ru1B—Ru3B—C38B150.06 (9)
Ru2A—Ru1A—Ru3A—C38A170.87 (8)Ru2B—Ru1B—Ru3B—C38B171.16 (9)
C32A—Ru1A—Ru3A—C39A154.2 (3)C32B—Ru1B—Ru3B—C39B156.1 (3)
C30A—Ru1A—Ru3A—C39A118.7 (3)C30B—Ru1B—Ru3B—C39B117.7 (3)
C31A—Ru1A—Ru3A—C39A62.3 (3)C31B—Ru1B—Ru3B—C39B64.6 (3)
P1A—Ru1A—Ru3A—C39A36.8 (3)P1B—Ru1B—Ru3B—C39B38.3 (3)
Ru2A—Ru1A—Ru3A—C39A17.8 (3)Ru2B—Ru1B—Ru3B—C39B17.2 (3)
C32A—Ru1A—Ru3A—C36A109.75 (12)C32B—Ru1B—Ru3B—C36B109.58 (12)
C30A—Ru1A—Ru3A—C36A22.67 (12)C30B—Ru1B—Ru3B—C36B23.36 (12)
C31A—Ru1A—Ru3A—C36A158.34 (12)C31B—Ru1B—Ru3B—C36B158.91 (12)
P1A—Ru1A—Ru3A—C36A59.20 (10)P1B—Ru1B—Ru3B—C36B56.00 (10)
Ru2A—Ru1A—Ru3A—C36A78.18 (10)Ru2B—Ru1B—Ru3B—C36B77.11 (9)
C32A—Ru1A—Ru3A—C37A74.84 (11)C32B—Ru1B—Ru3B—C37B75.69 (11)
C30A—Ru1A—Ru3A—C37A161.92 (11)C30B—Ru1B—Ru3B—C37B161.91 (11)
C31A—Ru1A—Ru3A—C37A17.07 (11)C31B—Ru1B—Ru3B—C37B15.82 (11)
P1A—Ru1A—Ru3A—C37A116.20 (9)P1B—Ru1B—Ru3B—C37B118.73 (9)
Ru2A—Ru1A—Ru3A—C37A97.23 (8)Ru2B—Ru1B—Ru3B—C37B97.62 (8)
C32A—Ru1A—Ru3A—Ru2A172.07 (8)C32B—Ru1B—Ru3B—Ru2B173.32 (8)
C30A—Ru1A—Ru3A—Ru2A100.85 (8)C30B—Ru1B—Ru3B—Ru2B100.47 (8)
C31A—Ru1A—Ru3A—Ru2A80.16 (8)C31B—Ru1B—Ru3B—Ru2B81.80 (8)
P1A—Ru1A—Ru3A—Ru2A18.98 (4)P1B—Ru1B—Ru3B—Ru2B21.10 (3)
C32A—Ru1A—P1A—C7A81.13 (12)C32B—Ru1B—P1B—C1B93.21 (12)
C30A—Ru1A—P1A—C7A7.74 (11)C30B—Ru1B—P1B—C1B4.18 (12)
C31A—Ru1A—P1A—C7A174.25 (11)C31B—Ru1B—P1B—C1B174.31 (11)
Ru2A—Ru1A—P1A—C7A104.24 (9)Ru2B—Ru1B—P1B—C1B90.86 (9)
Ru3A—Ru1A—P1A—C7A87.90 (9)Ru3B—Ru1B—P1B—C1B72.70 (10)
C32A—Ru1A—P1A—C1A43.95 (12)C32B—Ru1B—P1B—C13B148.09 (12)
C30A—Ru1A—P1A—C1A132.82 (12)C30B—Ru1B—P1B—C13B122.88 (12)
C31A—Ru1A—P1A—C1A49.17 (12)C31B—Ru1B—P1B—C13B55.61 (12)
Ru2A—Ru1A—P1A—C1A130.68 (9)Ru2B—Ru1B—P1B—C13B27.84 (10)
Ru3A—Ru1A—P1A—C1A147.02 (9)Ru3B—Ru1B—P1B—C13B46.00 (11)
C32A—Ru1A—P1A—C13A161.67 (12)C32B—Ru1B—P1B—C7B34.56 (12)
C30A—Ru1A—P1A—C13A109.47 (12)C30B—Ru1B—P1B—C7B123.59 (12)
C31A—Ru1A—P1A—C13A68.54 (12)C31B—Ru1B—P1B—C7B57.91 (12)
Ru2A—Ru1A—P1A—C13A12.97 (9)Ru2B—Ru1B—P1B—C7B141.37 (9)
Ru3A—Ru1A—P1A—C13A29.31 (11)Ru3B—Ru1B—P1B—C7B159.52 (9)
C35A—Ru2A—P2A—C14A93.15 (12)C35B—Ru2B—P2B—C14B41.26 (12)
C33A—Ru2A—P2A—C14A173.81 (11)C34B—Ru2B—P2B—C14B130.33 (12)
C34A—Ru2A—P2A—C14A3.94 (12)C33B—Ru2B—P2B—C14B51.90 (12)
Ru3A—Ru2A—P2A—C14A72.19 (10)Ru1B—Ru2B—P2B—C14B135.70 (9)
Ru1A—Ru2A—P2A—C14A92.34 (9)Ru3B—Ru2B—P2B—C14B157.64 (9)
C35A—Ru2A—P2A—C13A148.23 (12)C35B—Ru2B—P2B—C20B82.31 (12)
C33A—Ru2A—P2A—C13A55.18 (12)C34B—Ru2B—P2B—C20B6.76 (11)
C34A—Ru2A—P2A—C13A122.56 (12)C33B—Ru2B—P2B—C20B175.47 (11)
Ru3A—Ru2A—P2A—C13A46.43 (10)Ru1B—Ru2B—P2B—C20B100.73 (9)
Ru1A—Ru2A—P2A—C13A26.28 (9)Ru3B—Ru2B—P2B—C20B78.79 (9)
C35A—Ru2A—P2A—C20A32.63 (13)C35B—Ru2B—P2B—C13B160.80 (12)
C33A—Ru2A—P2A—C20A60.41 (12)C34B—Ru2B—P2B—C13B110.13 (12)
C34A—Ru2A—P2A—C20A121.84 (12)C33B—Ru2B—P2B—C13B67.64 (12)
Ru3A—Ru2A—P2A—C20A162.03 (9)Ru1B—Ru2B—P2B—C13B16.16 (10)
Ru1A—Ru2A—P2A—C20A141.87 (10)Ru3B—Ru2B—P2B—C13B38.09 (11)
C7A—P1A—C1A—C6A135.0 (2)C13B—P1B—C1B—C6B24.2 (2)
C13A—P1A—C1A—C6A118.4 (2)C7B—P1B—C1B—C6B125.7 (2)
Ru1A—P1A—C1A—C6A7.1 (2)Ru1B—P1B—C1B—C6B100.6 (2)
C7A—P1A—C1A—C2A49.2 (2)C13B—P1B—C1B—C2B159.3 (2)
C13A—P1A—C1A—C2A57.4 (2)C7B—P1B—C1B—C2B57.9 (2)
Ru1A—P1A—C1A—C2A177.12 (19)Ru1B—P1B—C1B—C2B75.9 (2)
C6A—C1A—C2A—C3A1.9 (4)C6B—C1B—C2B—C3B3.0 (4)
P1A—C1A—C2A—C3A173.7 (2)P1B—C1B—C2B—C3B179.48 (19)
C6A—C1A—C2A—C26A175.1 (3)C6B—C1B—C2B—C26B178.9 (3)
P1A—C1A—C2A—C26A9.2 (4)P1B—C1B—C2B—C26B2.4 (4)
C1A—C2A—C3A—C4A0.2 (4)C1B—C2B—C3B—C4B2.2 (4)
C26A—C2A—C3A—C4A177.4 (3)C26B—C2B—C3B—C4B179.6 (3)
C2A—C3A—C4A—C5A2.0 (5)C2B—C3B—C4B—C5B0.0 (4)
C3A—C4A—C5A—C6A1.7 (4)C3B—C4B—C5B—C6B1.4 (4)
C4A—C5A—C6A—C1A0.5 (4)C4B—C5B—C6B—C1B0.5 (4)
C2A—C1A—C6A—C5A2.3 (4)C2B—C1B—C6B—C5B1.7 (4)
P1A—C1A—C6A—C5A173.6 (2)P1B—C1B—C6B—C5B178.2 (2)
C1A—P1A—C7A—C12A135.6 (2)C1B—P1B—C7B—C12B152.72 (19)
C13A—P1A—C7A—C12A31.1 (2)C13B—P1B—C7B—C12B100.4 (2)
Ru1A—P1A—C7A—C12A93.2 (2)Ru1B—P1B—C7B—C12B22.7 (2)
C1A—P1A—C7A—C8A48.8 (2)C1B—P1B—C7B—C8B36.6 (2)
C13A—P1A—C7A—C8A153.3 (2)C13B—P1B—C7B—C8B70.3 (2)
Ru1A—P1A—C7A—C8A82.4 (2)Ru1B—P1B—C7B—C8B166.63 (18)
C12A—C7A—C8A—C9A2.9 (4)C12B—C7B—C8B—C9B0.7 (4)
P1A—C7A—C8A—C9A178.5 (2)P1B—C7B—C8B—C9B169.6 (2)
C12A—C7A—C8A—C27A177.3 (3)C12B—C7B—C8B—C27B179.9 (2)
P1A—C7A—C8A—C27A1.7 (4)P1B—C7B—C8B—C27B9.6 (4)
C7A—C8A—C9A—C10A1.1 (4)C7B—C8B—C9B—C10B0.9 (4)
C27A—C8A—C9A—C10A179.0 (3)C27B—C8B—C9B—C10B178.3 (3)
C8A—C9A—C10A—C11A1.4 (4)C8B—C9B—C10B—C11B1.2 (4)
C9A—C10A—C11A—C12A2.2 (4)C9B—C10B—C11B—C12B0.2 (4)
C10A—C11A—C12A—C7A0.4 (4)C10B—C11B—C12B—C7B1.9 (4)
C8A—C7A—C12A—C11A2.2 (4)C8B—C7B—C12B—C11B2.2 (4)
P1A—C7A—C12A—C11A177.9 (2)P1B—C7B—C12B—C11B169.1 (2)
C14A—P2A—C13A—P1A100.89 (16)C1B—P1B—C13B—P2B100.90 (16)
C20A—P2A—C13A—P1A148.82 (15)C7B—P1B—C13B—P2B149.05 (15)
Ru2A—P2A—C13A—P1A22.80 (18)Ru1B—P1B—C13B—P2B22.53 (18)
C7A—P1A—C13A—P2A125.87 (15)C14B—P2B—C13B—P1B129.22 (15)
C1A—P1A—C13A—P2A124.39 (15)C20B—P2B—C13B—P1B121.84 (15)
Ru1A—P1A—C13A—P2A3.25 (18)Ru2B—P2B—C13B—P1B0.44 (18)
C13A—P2A—C14A—C19A23.7 (2)C20B—P2B—C14B—C19B132.4 (2)
C20A—P2A—C14A—C19A128.2 (2)C13B—P2B—C14B—C19B120.3 (2)
Ru2A—P2A—C14A—C19A100.5 (2)Ru2B—P2B—C14B—C19B6.0 (2)
C13A—P2A—C14A—C15A160.4 (2)C20B—P2B—C14B—C15B48.4 (2)
C20A—P2A—C14A—C15A56.0 (2)C13B—P2B—C14B—C15B58.9 (2)
Ru2A—P2A—C14A—C15A75.3 (2)Ru2B—P2B—C14B—C15B174.80 (18)
C19A—C14A—C15A—C16A3.0 (4)C19B—C14B—C15B—C16B0.5 (4)
P2A—C14A—C15A—C16A178.8 (2)P2B—C14B—C15B—C16B179.7 (2)
C19A—C14A—C15A—C28A178.8 (3)C19B—C14B—C15B—C28B179.6 (3)
P2A—C14A—C15A—C28A2.9 (4)P2B—C14B—C15B—C28B0.4 (4)
C14A—C15A—C16A—C17A1.6 (4)C14B—C15B—C16B—C17B1.0 (5)
C28A—C15A—C16A—C17A180.0 (3)C28B—C15B—C16B—C17B179.1 (3)
C15A—C16A—C17A—C18A0.8 (5)C15B—C16B—C17B—C18B0.1 (5)
C16A—C17A—C18A—C19A1.9 (4)C16B—C17B—C18B—C19B1.3 (5)
C17A—C18A—C19A—C14A0.5 (4)C17B—C18B—C19B—C14B1.8 (5)
C15A—C14A—C19A—C18A1.9 (4)C15B—C14B—C19B—C18B0.9 (4)
P2A—C14A—C19A—C18A177.8 (2)P2B—C14B—C19B—C18B178.4 (2)
C14A—P2A—C20A—C25A143.5 (2)C14B—P2B—C20B—C21B51.6 (2)
C13A—P2A—C20A—C25A108.7 (2)C13B—P2B—C20B—C21B156.9 (2)
Ru2A—P2A—C20A—C25A14.7 (2)Ru2B—P2B—C20B—C21B79.6 (2)
C14A—P2A—C20A—C21A41.6 (3)C14B—P2B—C20B—C25B134.1 (2)
C13A—P2A—C20A—C21A66.3 (3)C13B—P2B—C20B—C25B28.8 (2)
Ru2A—P2A—C20A—C21A170.3 (2)Ru2B—P2B—C20B—C25B94.7 (2)
C25A—C20A—C21A—C22A2.5 (5)C25B—C20B—C21B—C22B2.1 (4)
P2A—C20A—C21A—C22A177.4 (3)P2B—C20B—C21B—C22B176.54 (19)
C25A—C20A—C21A—C29A178.0 (3)C25B—C20B—C21B—C29B177.0 (2)
P2A—C20A—C21A—C29A3.2 (5)P2B—C20B—C21B—C29B2.7 (4)
C20A—C21A—C22A—C23A2.9 (6)C20B—C21B—C22B—C23B1.1 (4)
C29A—C21A—C22A—C23A177.7 (4)C29B—C21B—C22B—C23B178.1 (3)
C21A—C22A—C23A—C24A0.9 (6)C21B—C22B—C23B—C24B0.4 (4)
C22A—C23A—C24A—C25A1.4 (5)C22B—C23B—C24B—C25B0.8 (4)
C21A—C20A—C25A—C24A0.3 (4)C23B—C24B—C25B—C20B0.3 (4)
P2A—C20A—C25A—C24A175.6 (2)C21B—C20B—C25B—C24B1.8 (4)
C23A—C24A—C25A—C20A1.7 (4)P2B—C20B—C25B—C24B176.2 (2)
Hydrogen-bond geometry (Å, º) top
Cg1 is centroid of the C14A–C19A benzene ring.
D—H···AD—HH···AD···AD—H···A
C11B—H11B···O1Bi0.932.543.251 (3)134
C24A—H24A···O5Aii0.932.493.240 (4)138
C29A—H29B···Cg10.962.963.702 (4)135
Symmetry codes: (i) x, y+1/2, z+1/2; (ii) x, y+3/2, z+1/2.

Experimental details

Crystal data
Chemical formula8[Ru3(C29H30P2)(CO)10]·CH4O
Mr8222.28
Crystal system, space groupMonoclinic, P21/c
Temperature (K)100
a, b, c (Å)22.7156 (13), 19.9023 (11), 18.4979 (10)
β (°) 106.561 (1)
V3)8015.8 (8)
Z1
Radiation typeMo Kα
µ (mm1)1.25
Crystal size (mm)0.23 × 0.10 × 0.06
Data collection
DiffractometerBruker APEXII DUO CCD
diffractometer
Absorption correctionMulti-scan
(SADABS; Bruker, 2009)
Tmin, Tmax0.758, 0.932
No. of measured, independent and
observed [I > 2σ(I)] reflections
107136, 28473, 20091
Rint0.056
(sin θ/λ)max1)0.755
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.035, 0.082, 1.03
No. of reflections28473
No. of parameters990
No. of restraints1
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)1.14, 0.72

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

Selected bond lengths (Å) top
Ru1A—P1A2.3451 (7)Ru1B—P1B2.3450 (7)
Ru2A—P2A2.3422 (7)Ru2B—P2B2.3459 (7)
Hydrogen-bond geometry (Å, º) top
Cg1 is centroid of the C14A–C19A benzene ring.
D—H···AD—HH···AD···AD—H···A
C11B—H11B···O1Bi0.932.543.251 (3)134
C24A—H24A···O5Aii0.932.493.240 (4)138
C29A—H29B···Cg10.962.963.702 (4)135
Symmetry codes: (i) x, y+1/2, z+1/2; (ii) x, y+3/2, z+1/2.
 

Footnotes

Thomson Reuters ResearcherID: B-6034-2009. On secondment to: Multimedia University, Melaka Campus, Jalan Ayer Keroh Lama, 74750 Melaka, Malaysia.

§Thomson Reuters ResearcherID: E-2833-2010. Current address: Department of Chemistry, Gokhale Centenary College, Ankola 581 314, NK, Karnataka, India.

Thomson Reuters ResearcherID: A-5523-2009.

‡‡Thomson Reuters ResearcherID: A-3561-2009. Additional correspondence author, e-mail: hkfun@usm.my.

Acknowledgements

The authors would like to thank the Malaysian Government and Universiti Sains Malaysia (USM) for the Research Grant 1001/PJJAUH/811115. IAK is grateful to USM for a Visiting Researcher position. HKF and CSY thank USM for the Research University Grant No. 1001/PFIZIK/811160.

References

First citationBruce, M. I., Liddell, M. J., Hughes, C. A., Patrick, J. M., Skelton, B. W. & White, A. H. (1988a). J. Organomet. Chem. 347, 181–205.  CSD CrossRef CAS Web of Science Google Scholar
First citationBruce, M. I., Liddell, M. J., Shawkataly, O. bin., Hughes, C. A., Skelton, B. W. & White, A. H. (1988b). J. Organomet. Chem. 347, 207–235.  CSD CrossRef CAS Web of Science Google Scholar
First citationBruce, M. I., Shawkataly, O. bin. & Williams, M. L. (1985). J. Organomet. Chem. 287, 127–131.  CrossRef CAS Web of Science Google Scholar
First citationBruker (2009). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.  Google Scholar
First citationCosier, J. & Glazer, A. M. (1986). J. Appl. Cryst. 19, 105–107.  CrossRef CAS Web of Science IUCr Journals Google Scholar
First citationFilby, M., Deeming, A. J., Hogarth, G. & Lee, M.-Y. (2006). Can. J. Chem. 84, 319–329.  Web of Science CSD CrossRef CAS Google Scholar
First citationShawkataly, O. bin, Khan, I. A., Yeap, C. S. & Fun, H.-K. (2010). Acta Cryst. E66, m94–m95.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationShawkataly, O. bin, Ramalingam, K., Fun, H.-K., Abdul Rahman, A., & Razak, I. A. (2004). J. Cluster Sci. 15, 387–394.  Web of Science CSD CrossRef Google Scholar
First citationShawkataly, O. bin., Ramalingam, K., Lee, S. T., Parameswary, M., Fun, H.-K. & Sivakumar, K. (1998). Polyhedron, 17, 1211–1216.  CAS Google Scholar
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationSpek, A. L. (2009). Acta Cryst. D65, 148–155.  Web of Science CrossRef CAS IUCr Journals Google Scholar

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Volume 67| Part 2| February 2011| Pages m197-m198
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