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Acta Crystallogr Sect E Struct Rep Online. 2010 November 1; 66(Pt 11): m1391.
Published online 2010 October 13. doi:  10.1107/S1600536810039747
PMCID: PMC3009153

Tricarbon­yl[η5-2-(methyl­diphenyl­phosphanium­yl)-1,3,4-triphenylcyclo­penta­dienyl]molybdenum(0)

Abstract

The title compound, [Mo(C36H29P)(CO)3], contains an Mo0 atom with a typical piano-stool coordination defined by the phospho­nium cyclo­penta­dienylide ligand η5-1-(methyl­diphenyl­phosphanium­yl)-2,3,5-triphenyl-2,4-cyclo­penta­dien-1-yl and by three carbonyl groups. The distance between the Mo0 atom and the cyclo­penta­dienyl ring is 2.0616 (13) Å.

Related literature

For background to phospho­nium cyclo­penta­dienylides, see: Ramirez & Levy (1956 [triangle]); Brownie et al. (2007 [triangle]). For P—C and P=C bond lengths, see: Weast (1984 [triangle]) and Bart (1969 [triangle]), respectively.

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Object name is e-66-m1391-scheme1.jpg

Experimental

Crystal data

  • [Mo(C36H29P)(CO)3]
  • M r = 672.53
  • Orthorhombic, An external file that holds a picture, illustration, etc.
Object name is e-66-m1391-efi1.jpg
  • a = 21.609 (7) Å
  • b = 10.440 (3) Å
  • c = 14.522 (5) Å
  • V = 3276.3 (17) Å3
  • Z = 4
  • Mo Kα radiation
  • μ = 0.49 mm−1
  • T = 293 K
  • 0.20 × 0.18 × 0.15 mm

Data collection

  • Bruker SMART CCD area-detector diffractometer
  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996 [triangle]) T min = 0.909, T max = 0.931
  • 18060 measured reflections
  • 7157 independent reflections
  • 6119 reflections with I > 2σ(I)
  • R int = 0.025

Refinement

  • R[F 2 > 2σ(F 2)] = 0.028
  • wR(F 2) = 0.053
  • S = 1.02
  • 7157 reflections
  • 397 parameters
  • 1 restraint
  • H-atom parameters constrained
  • Δρmax = 0.33 e Å−3
  • Δρmin = −0.23 e Å−3
  • Absolute structure: Flack (1983 [triangle]), 3271 Friedel pairs
  • Flack parameter: −0.03 (2)

Data collection: SMART (Bruker, 1997 [triangle]); cell refinement: SAINT (Bruker, 1997 [triangle]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 [triangle]); molecular graphics: XP in SHELXTL (Sheldrick, 2008 [triangle]); software used to prepare material for publication: SHELXTL.

Table 1
Selected bond lengths (Å)

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810039747/wm2404sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810039747/wm2404Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Acknowledgments

This work was supported by the National Natural Science Foundation of China (grant Nos. 20772014 and 51003009) and the Specialized Research Fund for the Doctoral Program of Higher Education (200801411121).

supplementary crystallographic information

Comment

Coordination complexes of phosphonium cyclopentadienylides have attracted more and more attention in recent years because of their application in catalysis. Although phosphonium cyclopentadienylides were first reported in 1956 by Ramirez & Levy, only few compounds beyond C5H4PPh3 have been reported, probably due to the difficulties in characterizing them (Brownie et al., 2007). It is supposed that the behavior of this class of compounds depends on the substitutions on phosphorus.

The title compound, {Mo[η5-C5HPh3(PPh2CH3)](CO)3}, contains a Mo(0) atom in a typical piano stool coordination. The Mo atom is coordinated by a η5-(1,2,3,4,5-)-1-(methyldiphenylphosphonio)-2,3,5-triphenyl-2,4- cyclopentadien-1-yl ligand and three carbonyl groups. The distance between the Mo atom and the cyclopentadienyl ring is 2.0616 (13) Å. The P—C1 bond length, i.e. the phosphonium cyclopentadienylide bond, is 1.779 (2) Å, which lies between that of a typical P—C single bond (1.870 Å; Weast, 1984) and a P═C double bond (1.660 Å; Bart, 1969). This behavioutr consistent with the zwitterionic resonance structure of such phosphonium cyclopentadienylide compounds.

Experimental

A solution of 0.49 g of C5HPh3PPh2CH3 and 1.06 g of Mo(CO)3(CH3CN)3 in 20 ml of THF was refluxed under argon for 3 h, during which time the solution developed a black-green color. The reaction mixture was cooled and filtered, and the solid residue was washed with THF. The resulting filtrate was then treated with 200 ml of hexane to precipitate a yellow solid that was collected and washed with hexanes. The solid was dried in vacuo to yield 0.40 g yellow product. X-ray quality crystals were obtained by re-crystallization from CH2Cl2 solution at 243 K by layering with hexane.

Refinement

C-bound H atoms were placed in calculated positions (C—H = 0.93 Å) and refined in the riding-model approximation with Uiso(H) = 1.2Ueq(C).

Figures

Fig. 1.
Molecular structure of the title compound showing the atom labelling and displacement ellipsoids ate the 30% probability level.

Crystal data

[Mo(C36H29P)(CO)3]F(000) = 1376
Mr = 672.53Dx = 1.363 Mg m3
Orthorhombic, Pna21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2c -2nCell parameters from 7157 reflections
a = 21.609 (7) Åθ = 2.2–27.5°
b = 10.440 (3) ŵ = 0.49 mm1
c = 14.522 (5) ÅT = 293 K
V = 3276.3 (17) Å3Block, yellow
Z = 40.20 × 0.18 × 0.15 mm

Data collection

Bruker SMART CCD area-detector diffractometer7157 independent reflections
Radiation source: fine-focus sealed tube6119 reflections with I > 2σ(I)
graphiteRint = 0.025
[var phi] and ω scansθmax = 27.5°, θmin = 2.2°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −22→28
Tmin = 0.909, Tmax = 0.931k = −12→13
18060 measured reflectionsl = −17→18

Refinement

Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.028H-atom parameters constrained
wR(F2) = 0.053w = 1/[σ2(Fo2) + (0.0086P)2 + 1.1254P] where P = (Fo2 + 2Fc2)/3
S = 1.01(Δ/σ)max = 0.001
7157 reflectionsΔρmax = 0.33 e Å3
397 parametersΔρmin = −0.23 e Å3
1 restraintAbsolute structure: Flack (1983), 3271 Friedel pairs
Primary atom site location: structure-invariant direct methodsFlack parameter: −0.03 (2)

Special details

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)

xyzUiso*/Ueq
Mo10.090219 (7)0.464808 (17)0.09453 (2)0.03469 (5)
P1−0.03449 (2)0.68125 (5)0.10290 (6)0.03555 (13)
C10.01081 (10)0.5893 (2)0.02477 (16)0.0303 (5)
C20.06846 (10)0.6281 (2)−0.01911 (17)0.0331 (5)
C30.09209 (10)0.5205 (2)−0.06697 (16)0.0324 (5)
C40.04978 (11)0.4162 (3)−0.05343 (19)0.0343 (6)
H4A0.05280.3325−0.08370.041*
C5−0.00034 (10)0.4570 (2)0.00062 (16)0.0335 (5)
C6−0.05804 (11)0.3791 (2)0.01401 (19)0.0387 (6)
C7−0.05867 (13)0.2687 (3)0.0644 (2)0.0684 (11)
H7A−0.02280.24240.09420.082*
C8−0.11187 (16)0.1949 (3)0.0719 (3)0.0873 (15)
H8A−0.11140.12070.10730.105*
C9−0.16466 (14)0.2303 (3)0.0279 (3)0.0722 (10)
H9A−0.20020.18050.03280.087*
C10−0.16507 (14)0.3391 (3)−0.0234 (3)0.0746 (11)
H10A−0.20110.3642−0.05330.089*
C11−0.11182 (12)0.4135 (3)−0.0313 (2)0.0578 (8)
H11A−0.11240.4870−0.06750.069*
C120.09243 (11)0.7620 (2)−0.02714 (18)0.0387 (5)
C130.06036 (17)0.8457 (3)−0.0838 (3)0.0601 (10)
H13A0.02390.8195−0.11220.072*
C140.0831 (2)0.9701 (4)−0.0982 (4)0.0843 (16)
H14A0.06161.0264−0.13610.101*
C150.1365 (2)1.0085 (3)−0.0566 (3)0.1018 (15)
H15A0.15111.0913−0.06580.122*
C160.16889 (17)0.9252 (3)−0.0012 (3)0.0841 (12)
H16A0.20560.95170.02630.101*
C170.14722 (13)0.8024 (3)0.0138 (2)0.0538 (7)
H17A0.16930.74670.05130.065*
C180.14706 (11)0.5116 (2)−0.12831 (17)0.0368 (6)
C190.16267 (12)0.6105 (3)−0.18867 (19)0.0490 (7)
H19A0.14020.6865−0.18770.059*
C200.21134 (14)0.5965 (4)−0.2501 (2)0.0636 (9)
H20A0.22120.6632−0.29000.076*
C210.24515 (14)0.4847 (4)−0.2525 (2)0.0711 (10)
H21A0.27770.4756−0.29380.085*
C220.23048 (14)0.3872 (4)−0.1937 (2)0.0689 (10)
H22A0.25330.3118−0.19530.083*
C230.18213 (12)0.3989 (3)−0.1317 (2)0.0514 (7)
H23A0.17290.3316−0.09210.062*
C24−0.07093 (13)0.5793 (3)0.1861 (2)0.0509 (7)
H24A−0.03990.53230.21920.076*
H24B−0.09800.52040.15520.076*
H24C−0.09440.63050.22850.076*
C25−0.09837 (10)0.7619 (2)0.04752 (19)0.0413 (6)
C26−0.14111 (10)0.8270 (2)0.1020 (4)0.0575 (7)
H26A−0.13420.83550.16490.069*
C27−0.19363 (13)0.8787 (3)0.0632 (3)0.0725 (12)
H27A−0.22200.92220.09980.087*
C28−0.20402 (15)0.8661 (3)−0.0288 (3)0.0780 (12)
H28A−0.23950.9012−0.05480.094*
C29−0.16256 (16)0.8021 (3)−0.0834 (3)0.0724 (10)
H29A−0.17020.7930−0.14610.087*
C30−0.10906 (12)0.7509 (3)−0.0450 (2)0.0497 (7)
H30A−0.08050.7090−0.08230.060*
C310.00960 (11)0.7999 (3)0.16427 (19)0.0449 (6)
C320.01231 (13)0.9249 (3)0.1323 (2)0.0603 (9)
H32A−0.00900.94870.07940.072*
C330.04738 (18)1.0141 (3)0.1807 (4)0.0928 (14)
H33A0.05111.09750.15910.111*
C340.0765 (2)0.9780 (6)0.2607 (5)0.105 (2)
H34A0.09881.03870.29370.126*
C350.0734 (2)0.8571 (6)0.2923 (3)0.0901 (16)
H35A0.09410.83510.34620.108*
C360.03997 (14)0.7659 (4)0.2455 (2)0.0643 (9)
H36A0.03760.68250.26780.077*
C370.14583 (13)0.5571 (3)0.1764 (2)0.0522 (7)
C380.15035 (11)0.3277 (3)0.1025 (3)0.0553 (7)
C390.05614 (15)0.3925 (3)0.2056 (2)0.0515 (8)
O10.17930 (11)0.6087 (3)0.22580 (17)0.0856 (8)
O20.18565 (10)0.2438 (2)0.1075 (2)0.0902 (8)
O30.03489 (12)0.3497 (3)0.27201 (17)0.0861 (8)

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Mo10.02964 (8)0.04116 (9)0.03328 (9)0.00048 (8)−0.00279 (14)0.00333 (15)
P10.0293 (3)0.0414 (3)0.0359 (4)0.0018 (2)0.0032 (4)0.0008 (4)
C10.0277 (11)0.0318 (12)0.0314 (12)−0.0002 (10)−0.0014 (9)0.0033 (10)
C20.0268 (11)0.0365 (13)0.0359 (14)−0.0023 (10)−0.0028 (10)0.0038 (11)
C30.0282 (11)0.0359 (12)0.0333 (13)0.0000 (10)−0.0031 (10)0.0001 (10)
C40.0317 (13)0.0326 (13)0.0386 (16)−0.0016 (11)−0.0025 (12)−0.0007 (12)
C50.0293 (12)0.0367 (13)0.0345 (13)−0.0037 (10)−0.0031 (10)0.0045 (11)
C60.0311 (13)0.0401 (15)0.0450 (16)−0.0078 (11)0.0014 (11)0.0014 (12)
C70.0484 (16)0.0592 (18)0.098 (3)−0.0166 (14)−0.0147 (16)0.0272 (17)
C80.079 (2)0.068 (2)0.115 (4)−0.0338 (17)−0.006 (2)0.034 (2)
C90.0416 (17)0.071 (2)0.104 (3)−0.0245 (17)0.0137 (18)−0.011 (2)
C100.0396 (17)0.066 (2)0.118 (3)−0.0076 (16)−0.0168 (19)−0.011 (2)
C110.0389 (15)0.0506 (17)0.084 (2)−0.0098 (13)−0.0140 (15)0.0076 (16)
C120.0381 (13)0.0364 (13)0.0417 (14)−0.0046 (11)0.0054 (11)0.0000 (11)
C130.055 (2)0.045 (2)0.080 (3)−0.0069 (16)−0.0088 (18)0.0147 (17)
C140.104 (4)0.049 (2)0.100 (3)−0.010 (2)−0.021 (3)0.026 (2)
C150.124 (4)0.051 (2)0.131 (4)−0.042 (2)−0.024 (3)0.024 (2)
C160.085 (3)0.072 (2)0.095 (3)−0.044 (2)−0.016 (2)0.007 (2)
C170.0505 (17)0.0516 (17)0.0592 (19)−0.0163 (14)−0.0073 (14)0.0016 (14)
C180.0267 (12)0.0508 (16)0.0329 (13)−0.0070 (11)−0.0016 (10)−0.0045 (11)
C190.0421 (15)0.0614 (18)0.0435 (16)−0.0076 (13)0.0013 (12)0.0002 (14)
C200.0468 (18)0.100 (3)0.0445 (18)−0.0223 (18)0.0086 (14)0.0053 (17)
C210.0384 (16)0.127 (3)0.048 (2)−0.004 (2)0.0114 (14)−0.015 (2)
C220.0472 (17)0.099 (3)0.061 (2)0.0221 (18)−0.0001 (16)−0.024 (2)
C230.0430 (15)0.0658 (19)0.0453 (17)0.0073 (14)−0.0008 (13)−0.0081 (14)
C240.0478 (16)0.0606 (18)0.0441 (17)0.0030 (13)0.0158 (13)0.0102 (13)
C250.0262 (12)0.0432 (14)0.0547 (16)−0.0006 (11)−0.0001 (11)0.0043 (12)
C260.0393 (13)0.0641 (16)0.0690 (19)0.0075 (11)0.008 (2)0.003 (2)
C270.0371 (15)0.068 (2)0.113 (4)0.0129 (14)0.0129 (17)0.012 (2)
C280.0386 (18)0.084 (3)0.112 (3)0.0055 (16)−0.014 (2)0.037 (2)
C290.061 (2)0.086 (3)0.071 (2)−0.0064 (19)−0.0200 (18)0.030 (2)
C300.0414 (15)0.0576 (18)0.0501 (18)−0.0016 (13)−0.0027 (13)0.0150 (14)
C310.0347 (14)0.0532 (17)0.0468 (17)0.0057 (12)−0.0015 (12)−0.0120 (13)
C320.0475 (17)0.0502 (17)0.083 (3)0.0036 (13)−0.0095 (14)−0.0140 (15)
C330.074 (2)0.053 (2)0.152 (4)0.0051 (18)−0.024 (3)−0.031 (2)
C340.074 (3)0.095 (4)0.147 (5)0.002 (3)−0.039 (3)−0.061 (4)
C350.084 (3)0.105 (4)0.081 (3)0.017 (3)−0.031 (2)−0.041 (3)
C360.064 (2)0.074 (2)0.055 (2)0.0133 (17)−0.0113 (17)−0.0166 (17)
C370.0429 (16)0.069 (2)0.0449 (18)−0.0062 (14)−0.0046 (13)−0.0003 (15)
C380.0469 (13)0.0680 (16)0.0511 (17)0.0091 (12)−0.0078 (19)0.003 (2)
C390.0493 (18)0.064 (2)0.0411 (19)0.0000 (16)−0.0066 (15)0.0123 (16)
O10.0682 (15)0.121 (2)0.0677 (17)−0.0273 (15)−0.0203 (13)−0.0190 (15)
O20.0739 (13)0.0914 (15)0.105 (2)0.0428 (12)−0.016 (2)0.007 (2)
O30.0861 (17)0.118 (2)0.0547 (15)−0.0116 (16)0.0013 (13)0.0379 (15)

Geometric parameters (Å, °)

Mo1—C391.927 (3)C16—H16A0.9300
Mo1—C381.937 (3)C17—H17A0.9300
Mo1—C371.946 (3)C18—C191.396 (4)
Mo1—C42.374 (3)C18—C231.400 (4)
Mo1—C12.379 (2)C19—C201.387 (4)
Mo1—C52.387 (2)C19—H19A0.9300
Mo1—C32.417 (2)C20—C211.378 (5)
Mo1—C22.419 (2)C20—H20A0.9300
P1—C11.779 (2)C21—C221.366 (5)
P1—C241.793 (3)C21—H21A0.9300
P1—C311.799 (3)C22—C231.384 (4)
P1—C251.806 (3)C22—H22A0.9300
C1—C51.446 (3)C23—H23A0.9300
C1—C21.457 (3)C24—H24A0.9600
C2—C31.417 (3)C24—H24B0.9600
C2—C121.495 (3)C24—H24C0.9600
C3—C41.435 (3)C25—C301.369 (4)
C3—C181.488 (3)C25—C261.393 (4)
C4—C51.404 (3)C26—C271.378 (4)
C4—H4A0.9800C26—H26A0.9300
C5—C61.501 (3)C27—C281.361 (5)
C6—C71.365 (4)C27—H27A0.9300
C6—C111.383 (4)C28—C291.371 (5)
C7—C81.388 (4)C28—H28A0.9300
C7—H7A0.9300C29—C301.390 (4)
C8—C91.359 (5)C29—H29A0.9300
C8—H8A0.9300C30—H30A0.9300
C9—C101.358 (5)C31—C321.386 (4)
C9—H9A0.9300C31—C361.396 (4)
C10—C111.393 (4)C32—C331.391 (4)
C10—H10A0.9300C32—H32A0.9300
C11—H11A0.9300C33—C341.372 (7)
C12—C131.386 (4)C33—H33A0.9300
C12—C171.390 (3)C34—C351.345 (8)
C13—C141.404 (5)C34—H34A0.9300
C13—H13A0.9300C35—C361.375 (5)
C14—C151.363 (6)C35—H35A0.9300
C14—H14A0.9300C36—H36A0.9300
C15—C161.377 (5)C37—O11.152 (3)
C15—H15A0.9300C38—O21.164 (3)
C16—C171.382 (4)C39—O31.158 (4)
C39—Mo1—C3885.26 (16)C13—C12—C17119.2 (3)
C39—Mo1—C3785.32 (13)C13—C12—C2117.5 (2)
C38—Mo1—C3785.14 (13)C17—C12—C2123.1 (2)
C39—Mo1—C4122.21 (11)C12—C13—C14119.8 (4)
C38—Mo1—C498.21 (14)C12—C13—H13A120.1
C37—Mo1—C4152.39 (11)C14—C13—H13A120.1
C39—Mo1—C1107.14 (11)C15—C14—C13120.2 (4)
C38—Mo1—C1155.93 (14)C15—C14—H14A119.9
C37—Mo1—C1115.78 (11)C13—C14—H14A119.9
C4—Mo1—C157.73 (8)C14—C15—C16120.2 (3)
C39—Mo1—C598.71 (11)C14—C15—H15A119.9
C38—Mo1—C5123.97 (12)C16—C15—H15A119.9
C37—Mo1—C5150.75 (11)C15—C16—C17120.4 (3)
C4—Mo1—C534.29 (8)C15—C16—H16A119.8
C1—Mo1—C535.32 (8)C17—C16—H16A119.8
C39—Mo1—C3155.91 (11)C16—C17—C12120.2 (3)
C38—Mo1—C3102.95 (14)C16—C17—H17A119.9
C37—Mo1—C3117.62 (11)C12—C17—H17A119.9
C4—Mo1—C334.85 (8)C19—C18—C23117.9 (2)
C1—Mo1—C357.82 (8)C19—C18—C3121.5 (2)
C5—Mo1—C357.82 (8)C23—C18—C3120.4 (2)
C39—Mo1—C2140.60 (11)C20—C19—C18120.6 (3)
C38—Mo1—C2133.79 (14)C20—C19—H19A119.7
C37—Mo1—C2100.83 (11)C18—C19—H19A119.7
C4—Mo1—C257.44 (9)C21—C20—C19120.5 (3)
C1—Mo1—C235.33 (7)C21—C20—H20A119.8
C5—Mo1—C258.33 (8)C19—C20—H20A119.8
C3—Mo1—C234.08 (8)C22—C21—C20119.5 (3)
C1—P1—C24110.56 (12)C22—C21—H21A120.2
C1—P1—C31113.33 (11)C20—C21—H21A120.2
C24—P1—C31107.91 (15)C21—C22—C23121.1 (3)
C1—P1—C25112.83 (13)C21—C22—H22A119.5
C24—P1—C25103.97 (12)C23—C22—H22A119.5
C31—P1—C25107.71 (12)C22—C23—C18120.4 (3)
C5—C1—C2107.6 (2)C22—C23—H23A119.8
C5—C1—P1125.34 (17)C18—C23—H23A119.8
C2—C1—P1126.82 (18)P1—C24—H24A109.5
C5—C1—Mo172.61 (12)P1—C24—H24B109.5
C2—C1—Mo173.82 (13)H24A—C24—H24B109.5
P1—C1—Mo1114.83 (12)P1—C24—H24C109.5
C3—C2—C1107.6 (2)H24A—C24—H24C109.5
C3—C2—C12125.3 (2)H24B—C24—H24C109.5
C1—C2—C12126.2 (2)C30—C25—C26119.2 (3)
C3—C2—Mo172.86 (13)C30—C25—P1121.8 (2)
C1—C2—Mo170.84 (13)C26—C25—P1118.7 (3)
C12—C2—Mo1130.15 (16)C27—C26—C25120.3 (4)
C2—C3—C4107.8 (2)C27—C26—H26A119.9
C2—C3—C18129.1 (2)C25—C26—H26A119.9
C4—C3—C18122.9 (2)C28—C27—C26120.0 (4)
C2—C3—Mo173.06 (14)C28—C27—H27A120.0
C4—C3—Mo170.97 (14)C26—C27—H27A120.0
C18—C3—Mo1125.42 (16)C27—C28—C29120.5 (3)
C5—C4—C3109.8 (2)C27—C28—H28A119.8
C5—C4—Mo173.33 (15)C29—C28—H28A119.8
C3—C4—Mo174.18 (14)C28—C29—C30120.0 (3)
C5—C4—H4A124.9C28—C29—H29A120.0
C3—C4—H4A124.9C30—C29—H29A120.0
Mo1—C4—H4A124.9C25—C30—C29120.1 (3)
C4—C5—C1107.3 (2)C25—C30—H30A120.0
C4—C5—C6123.3 (2)C29—C30—H30A120.0
C1—C5—C6128.7 (2)C32—C31—C36120.1 (3)
C4—C5—Mo172.38 (14)C32—C31—P1120.3 (2)
C1—C5—Mo172.07 (12)C36—C31—P1119.5 (2)
C6—C5—Mo1128.72 (16)C31—C32—C33119.0 (3)
C7—C6—C11117.8 (2)C31—C32—H32A120.5
C7—C6—C5122.4 (2)C33—C32—H32A120.5
C11—C6—C5119.7 (2)C34—C33—C32119.6 (4)
C6—C7—C8121.2 (3)C34—C33—H33A120.2
C6—C7—H7A119.4C32—C33—H33A120.2
C8—C7—H7A119.4C35—C34—C33121.6 (4)
C9—C8—C7120.5 (3)C35—C34—H34A119.2
C9—C8—H8A119.8C33—C34—H34A119.2
C7—C8—H8A119.8C34—C35—C36120.5 (5)
C10—C9—C8119.4 (3)C34—C35—H35A119.8
C10—C9—H9A120.3C36—C35—H35A119.8
C8—C9—H9A120.3C35—C36—C31119.2 (4)
C9—C10—C11120.4 (3)C35—C36—H36A120.4
C9—C10—H10A119.8C31—C36—H36A120.4
C11—C10—H10A119.8O1—C37—Mo1178.2 (3)
C6—C11—C10120.7 (3)O2—C38—Mo1178.8 (3)
C6—C11—H11A119.7O3—C39—Mo1179.1 (3)
C10—C11—H11A119.7

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2404).

References

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