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Acta Cryst. (2007). E63, m2493    [ doi:10.1107/S1600536807043164 ]

Tricarbonyl-2,2-bipyridyl(triphenylphosphine)molybdenum(0)

K. J. Muir, G. P. McQuillan and W. T. A. Harrison

Abstract top

In the title compound, [Mo(CO)3(C18H15P)(C10H8N2)] or C31H23MoN2O3P, the carbonyl groups are attached to one face of the MoC3N2P octahedron. In the crystal structure, a short C-H...O interaction (H...O = 2.41 Å) may help to establish the packing.

Comment top

The title compound,(I), Mo(CO)3(C18H15P)(C10H8N2), is an example of a trisubstituted group-6 metal hexacarbonyl (Howie & McQuillan, 1986). The related tricarbonyl-triphenylphosphine-1,10-phenanthroline-molybdenum(0), (II), was described in the preceding paper (Muir et al., 2007).

The three remaining carbonyl groups atached to the Mo atom in (I) form one face of the distorted MoC3N2P octahedron. Otherwise, all the bond lengths and angles in (I) (Fig. 1) may be regarded as normal (Allen et al., 1987). The diehdral angles for the phenyl rings for the triphenylphosphine molecule are C14—C19/C20—C25 = 86.93 (11)°, C14—C19/C26—C31 = 77.16 (12)°, and C20—C25/C26—C31 = 63.38 (12)°. The N—Mo—N bite angle for the 2,2-bipyridyl (bipy) molecule is 71.89 (6)° and the twist angle of the N1/C4—C8 and N2/C9—C12 bipy rings is 6.57 (12)°.

There is a slight distinction between the shorter Mo1—C2 and Mo1—C3 bond lengths trans to the bipy N atoms and the longer Mo1—C1 bond, which is trans to the P atom. A similar pattern was seen in (II) and the possible origin of this effect is discussed in the previous paper (Muir et al., 2007).

In the crystal of (I), a short, near linear, C—H···O interaction arising from a bipy C—H grouping may help to establish the packing.

Related literature top

For a related structure, see: Muir et al. (2007). For background, see: Howie & McQuillan (1986). For reference structural data, see: Allen et al. (1987).

Experimental top

Equimolar quantities of Mo(CO)6, triphenylphosphine and 2,2-bipyridine were refluxed in toluene under an N2 atmosphere for seven hours. Air-stable black blocks of (I) were recovered by vacuum filtration and rinsing with light petroleum ether in 93% yield based on Mo(CO)6. When the crystals of (I) are smeared on a glass slide, a very deep orange colour is apparent.

Refinement top

The hydrogen atoms were geometrically placed (C—H = 0.93 Å) and refined as riding with Uiso(H) = 1.2Ueq(C).

Computing details top

Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT (Bruker, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).

Figures top
[Figure 1] Fig. 1. View of the molecular structure of (I) showing 50% displacement ellipsoids (H atoms omitted for clarity).
Tricarbonyl-2,2-bipyridyl(triphenylphosphine)molybdenum(0) top
Crystal data top
[Mo(CO)3(C18H15P)(C10H8N2)]Z = 2
Mr = 598.42F000 = 608
Triclinic, P1Dx = 1.495 Mg m−3
Hall symbol: -P 1Mo Kα radiation
λ = 0.71073 Å
a = 8.5206 (4) ÅCell parameters from 5346 reflections
b = 9.3188 (4) Åθ = 2.3–29.8º
c = 18.4747 (8) ŵ = 0.59 mm−1
α = 91.986 (1)ºT = 293 (2) K
β = 102.425 (1)ºBlock, black
γ = 110.762 (1)º0.33 × 0.30 × 0.14 mm
V = 1329.62 (10) Å3
Data collection top
Bruker SMART 1000 CCD
diffractometer		7569 independent reflections
Radiation source: fine-focus sealed tube6055 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.017
T = 293(2) Kθmax = 30.0º
ω scansθmin = 2.4º
Absorption correction: multi-scan
(SADABS; Bruker, 1999)		h = −11→11
Tmin = 0.829, Tmax = 0.922k = −13→13
11901 measured reflectionsl = −25→20
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.032H-atom parameters constrained
wR(F2) = 0.069  w = 1/[σ2(Fo2) + (0.0326P)2]
where P = (Fo2 + 2Fc2)/3
S = 0.96(Δ/σ)max = 0.002
7569 reflectionsΔρmax = 0.39 e Å−3
343 parametersΔρmin = −0.40 e Å−3
Primary atom site location: structure-invariant direct methodsExtinction correction: none
Crystal data top
[Mo(CO)3(C18H15P)(C10H8N2)]γ = 110.762 (1)º
Mr = 598.42V = 1329.62 (10) Å3
Triclinic, P1Z = 2
a = 8.5206 (4) ÅMo Kα
b = 9.3188 (4) ŵ = 0.59 mm−1
c = 18.4747 (8) ÅT = 293 (2) K
α = 91.986 (1)º0.33 × 0.30 × 0.14 mm
β = 102.425 (1)º
Data collection top
Bruker SMART 1000 CCD
diffractometer		7569 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 1999)		6055 reflections with I > 2σ(I)
Tmin = 0.829, Tmax = 0.922Rint = 0.017
11901 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.032343 parameters
wR(F2) = 0.069H-atom parameters constrained
S = 0.96Δρmax = 0.39 e Å−3
7569 reflectionsΔρmin = −0.40 e Å−3
Special details top

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 > 2sigma(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R– factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Mo10.54639 (2)0.201182 (18)0.340276 (9)0.03355 (5)
C10.7158 (3)0.1373 (3)0.30803 (11)0.0498 (5)
C20.4073 (3)−0.0166 (2)0.33589 (11)0.0426 (4)
C30.6642 (3)0.1705 (2)0.43863 (12)0.0459 (5)
O10.8222 (2)0.0975 (2)0.29381 (10)0.0814 (6)
O20.3293 (2)−0.14685 (17)0.33732 (9)0.0657 (4)
O30.7344 (2)0.1385 (2)0.49254 (9)0.0794 (5)
P10.38541 (6)0.21208 (5)0.20506 (3)0.03306 (10)
C40.2377 (3)0.2269 (3)0.40571 (12)0.0553 (6)
H40.20120.11970.40070.066*
C50.1404 (3)0.2959 (4)0.43382 (13)0.0729 (8)
H50.04070.23590.44750.088*
C60.1923 (4)0.4526 (4)0.44115 (14)0.0800 (9)
H60.12800.50090.45960.096*
C70.3398 (4)0.5385 (3)0.42112 (13)0.0671 (7)
H70.37610.64570.42570.080*
C80.4360 (3)0.4648 (2)0.39371 (10)0.0458 (5)
C90.6016 (3)0.5479 (2)0.37634 (11)0.0491 (5)
C100.6801 (4)0.7096 (3)0.38419 (14)0.0729 (8)
H100.62360.77060.39870.087*
C110.8389 (5)0.7766 (3)0.37055 (18)0.0955 (11)
H110.89240.88370.37660.115*
C120.9193 (4)0.6879 (4)0.34825 (18)0.0913 (11)
H121.02840.73290.33910.110*
C130.8366 (3)0.5293 (3)0.33933 (14)0.0655 (7)
H130.89140.46880.32290.079*
C140.1842 (2)0.0461 (2)0.16510 (10)0.0349 (4)
C150.0669 (3)−0.0116 (2)0.20944 (11)0.0451 (5)
H150.09350.03290.25850.054*
C16−0.0870 (3)−0.1329 (3)0.18131 (13)0.0541 (5)
H16−0.1649−0.16800.21110.065*
C17−0.1271 (3)−0.2033 (3)0.10943 (13)0.0559 (6)
H17−0.2302−0.28730.09110.067*
C18−0.0135 (3)−0.1486 (3)0.06497 (12)0.0542 (5)
H18−0.0401−0.19510.01630.065*
C190.1399 (3)−0.0247 (2)0.09255 (11)0.0449 (5)
H190.21510.01200.06180.054*
C200.5032 (2)0.2250 (2)0.13138 (10)0.0364 (4)
C210.5974 (3)0.1310 (2)0.12924 (11)0.0468 (5)
H210.60190.06470.16550.056*
C220.6851 (3)0.1345 (3)0.07362 (12)0.0561 (6)
H220.74690.07010.07260.067*
C230.6810 (3)0.2324 (3)0.02036 (12)0.0575 (6)
H230.74210.2363−0.01610.069*
C240.5870 (3)0.3242 (3)0.02087 (13)0.0634 (7)
H240.58290.3897−0.01570.076*
C250.4971 (3)0.3204 (3)0.07585 (12)0.0540 (6)
H250.43230.38250.07530.065*
C260.3143 (3)0.3767 (2)0.19348 (10)0.0394 (4)
C270.4389 (3)0.5245 (2)0.20278 (11)0.0466 (5)
H270.55530.53780.21300.056*
C280.3925 (4)0.6529 (3)0.19702 (13)0.0599 (6)
H280.47740.75130.20280.072*
C290.2216 (4)0.6345 (3)0.18279 (15)0.0721 (8)
H290.19030.72050.17890.087*
C300.0972 (4)0.4900 (3)0.17433 (17)0.0800 (8)
H30−0.01860.47830.16500.096*
C310.1417 (3)0.3593 (3)0.17956 (14)0.0612 (6)
H310.05600.26140.17370.073*
N10.3831 (2)0.30873 (19)0.38523 (8)0.0396 (3)
N20.6812 (2)0.45842 (19)0.35315 (9)0.0450 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mo10.03453 (9)0.03719 (9)0.03219 (9)0.01658 (7)0.00891 (6)0.00554 (6)
C10.0499 (12)0.0666 (14)0.0390 (11)0.0317 (11)0.0060 (9)0.0042 (10)
C20.0471 (12)0.0456 (11)0.0391 (11)0.0232 (10)0.0086 (9)0.0053 (8)
C30.0483 (12)0.0518 (12)0.0403 (11)0.0204 (10)0.0128 (9)0.0067 (9)
O10.0698 (12)0.1285 (17)0.0707 (12)0.0680 (13)0.0160 (9)−0.0038 (11)
O20.0753 (12)0.0396 (9)0.0763 (12)0.0147 (8)0.0170 (9)0.0097 (8)
O30.0828 (13)0.1166 (16)0.0461 (10)0.0509 (12)0.0045 (9)0.0241 (10)
P10.0364 (3)0.0349 (2)0.0325 (2)0.0181 (2)0.00932 (19)0.00561 (18)
C40.0414 (12)0.0751 (16)0.0453 (12)0.0173 (11)0.0118 (9)−0.0063 (10)
C50.0466 (14)0.130 (3)0.0466 (14)0.0390 (16)0.0114 (10)−0.0067 (14)
C60.089 (2)0.132 (3)0.0500 (15)0.082 (2)0.0119 (14)−0.0012 (16)
C70.100 (2)0.0775 (17)0.0453 (13)0.0639 (17)0.0082 (13)0.0024 (11)
C80.0598 (13)0.0510 (12)0.0309 (10)0.0322 (11)0.0004 (9)0.0016 (8)
C90.0631 (14)0.0377 (10)0.0377 (11)0.0185 (10)−0.0054 (9)0.0045 (8)
C100.096 (2)0.0420 (13)0.0619 (16)0.0206 (14)−0.0105 (14)0.0049 (11)
C110.100 (3)0.0490 (16)0.091 (2)−0.0051 (17)−0.0167 (18)0.0255 (15)
C120.0578 (18)0.078 (2)0.102 (2)−0.0075 (16)−0.0034 (16)0.0469 (18)
C130.0440 (13)0.0688 (16)0.0720 (16)0.0091 (12)0.0066 (11)0.0324 (13)
C140.0382 (10)0.0347 (9)0.0358 (10)0.0189 (8)0.0076 (7)0.0066 (7)
C150.0415 (11)0.0546 (12)0.0397 (11)0.0179 (10)0.0108 (8)0.0046 (9)
C160.0426 (12)0.0646 (14)0.0543 (14)0.0164 (11)0.0149 (10)0.0135 (11)
C170.0424 (13)0.0499 (13)0.0620 (15)0.0092 (11)−0.0005 (10)0.0030 (11)
C180.0549 (14)0.0523 (13)0.0463 (13)0.0172 (11)0.0007 (10)−0.0072 (10)
C190.0495 (12)0.0471 (11)0.0386 (11)0.0190 (10)0.0103 (9)0.0030 (8)
C200.0390 (10)0.0384 (10)0.0347 (10)0.0170 (8)0.0104 (8)0.0059 (7)
C210.0574 (13)0.0531 (12)0.0409 (11)0.0315 (11)0.0147 (9)0.0094 (9)
C220.0615 (14)0.0738 (16)0.0484 (13)0.0417 (13)0.0171 (11)0.0036 (11)
C230.0613 (15)0.0683 (15)0.0510 (14)0.0245 (13)0.0296 (11)0.0064 (11)
C240.094 (2)0.0621 (14)0.0551 (14)0.0378 (14)0.0419 (14)0.0275 (11)
C250.0751 (16)0.0580 (13)0.0508 (13)0.0417 (13)0.0285 (11)0.0224 (10)
C260.0496 (12)0.0407 (10)0.0345 (10)0.0261 (9)0.0079 (8)0.0037 (8)
C270.0559 (13)0.0407 (11)0.0455 (12)0.0236 (10)0.0066 (9)0.0081 (9)
C280.0847 (19)0.0409 (12)0.0539 (14)0.0300 (12)0.0051 (12)0.0056 (10)
C290.094 (2)0.0574 (15)0.0753 (18)0.0540 (16)−0.0008 (14)−0.0009 (12)
C300.0695 (18)0.079 (2)0.108 (2)0.0565 (17)0.0075 (16)0.0021 (16)
C310.0497 (13)0.0494 (13)0.0879 (18)0.0281 (11)0.0078 (12)0.0008 (12)
N10.0387 (9)0.0464 (9)0.0343 (8)0.0182 (8)0.0068 (7)−0.0012 (7)
N20.0391 (9)0.0441 (9)0.0445 (10)0.0105 (8)0.0028 (7)0.0137 (7)
Geometric parameters (Å, °) top
Mo1—C11.936 (2)C14—C191.385 (3)
Mo1—C21.942 (2)C14—C151.400 (2)
Mo1—C31.961 (2)C15—C161.372 (3)
Mo1—N22.2390 (16)C15—H150.9300
Mo1—N12.2491 (15)C16—C171.377 (3)
Mo1—P12.6026 (5)C16—H160.9300
C1—O11.167 (2)C17—C181.376 (3)
C2—O21.163 (2)C17—H170.9300
C3—O31.153 (2)C18—C191.380 (3)
P1—C141.8364 (19)C18—H180.9300
P1—C201.8409 (17)C19—H190.9300
P1—C261.8413 (18)C20—C251.385 (3)
C4—N11.346 (2)C20—C211.387 (3)
C4—C51.382 (3)C21—C221.390 (3)
C4—H40.9300C21—H210.9300
C5—C61.360 (4)C22—C231.368 (3)
C5—H50.9300C22—H220.9300
C6—C71.365 (4)C23—C241.365 (3)
C6—H60.9300C23—H230.9300
C7—C81.398 (3)C24—C251.392 (3)
C7—H70.9300C24—H240.9300
C8—N11.354 (2)C25—H250.9300
C8—C91.460 (3)C26—C311.386 (3)
C9—N21.356 (3)C26—C271.387 (3)
C9—C101.403 (3)C27—C281.387 (3)
C10—C111.358 (4)C27—H270.9300
C10—H100.9300C28—C291.369 (4)
C11—C121.349 (5)C28—H280.9300
C11—H110.9300C29—C301.365 (4)
C12—C131.379 (4)C29—H290.9300
C12—H120.9300C30—C311.398 (3)
C13—N21.339 (3)C30—H300.9300
C13—H130.9300C31—H310.9300
C1—Mo1—C287.51 (9)C16—C15—C14120.81 (19)
C1—Mo1—C382.55 (8)C16—C15—H15119.6
C2—Mo1—C383.16 (8)C14—C15—H15119.6
C1—Mo1—N2100.21 (8)C15—C16—C17120.59 (19)
C2—Mo1—N2172.16 (7)C15—C16—H16119.7
C3—Mo1—N296.37 (7)C17—C16—H16119.7
C1—Mo1—N1171.38 (8)C18—C17—C16119.5 (2)
C2—Mo1—N1100.33 (7)C18—C17—H17120.3
C3—Mo1—N194.73 (7)C16—C17—H17120.3
N2—Mo1—N171.89 (6)C17—C18—C19120.1 (2)
C1—Mo1—P193.91 (6)C17—C18—H18119.9
C2—Mo1—P191.80 (6)C19—C18—H18120.0
C3—Mo1—P1173.94 (6)C18—C19—C14121.35 (19)
N2—Mo1—P189.09 (4)C18—C19—H19119.3
N1—Mo1—P189.47 (4)C14—C19—H19119.3
O1—C1—Mo1175.20 (18)C25—C20—C21118.05 (17)
O2—C2—Mo1176.14 (18)C25—C20—P1123.02 (14)
O3—C3—Mo1172.57 (19)C21—C20—P1118.89 (14)
C14—P1—C20101.81 (8)C20—C21—C22120.79 (19)
C14—P1—C26102.34 (9)C20—C21—H21119.6
C20—P1—C26102.08 (8)C22—C21—H21119.6
C14—P1—Mo1115.77 (6)C23—C22—C21120.3 (2)
C20—P1—Mo1117.49 (6)C23—C22—H22119.9
C26—P1—Mo1115.11 (6)C21—C22—H22119.9
N1—C4—C5122.6 (2)C24—C23—C22119.82 (19)
N1—C4—H4118.7C24—C23—H23120.1
C5—C4—H4118.7C22—C23—H23120.1
C6—C5—C4119.2 (2)C23—C24—C25120.4 (2)
C6—C5—H5120.4C23—C24—H24119.8
C4—C5—H5120.4C25—C24—H24119.8
C5—C6—C7119.4 (2)C20—C25—C24120.6 (2)
C5—C6—H6120.3C20—C25—H25119.7
C7—C6—H6120.3C24—C25—H25119.7
C6—C7—C8119.8 (2)C31—C26—C27118.67 (18)
C6—C7—H7120.1C31—C26—P1122.59 (16)
C8—C7—H7120.1C27—C26—P1118.66 (15)
N1—C8—C7120.9 (2)C26—C27—C28121.0 (2)
N1—C8—C9115.68 (17)C26—C27—H27119.5
C7—C8—C9123.4 (2)C28—C27—H27119.5
N2—C9—C10120.4 (2)C29—C28—C27119.9 (2)
N2—C9—C8115.70 (17)C29—C28—H28120.0
C10—C9—C8123.8 (2)C27—C28—H28120.0
C11—C10—C9119.6 (3)C30—C29—C28120.0 (2)
C11—C10—H10120.2C30—C29—H29120.0
C9—C10—H10120.2C28—C29—H29120.0
C12—C11—C10120.1 (3)C29—C30—C31120.8 (2)
C12—C11—H11119.9C29—C30—H30119.6
C10—C11—H11119.9C31—C30—H30119.6
C11—C12—C13118.7 (3)C26—C31—C30119.6 (2)
C11—C12—H12120.6C26—C31—H31120.2
C13—C12—H12120.6C30—C31—H31120.2
N2—C13—C12123.2 (3)C4—N1—C8118.09 (18)
N2—C13—H13118.4C4—N1—Mo1123.74 (14)
C12—C13—H13118.4C8—N1—Mo1118.15 (13)
C19—C14—C15117.63 (18)C13—N2—C9117.9 (2)
C19—C14—P1123.55 (14)C13—N2—Mo1123.65 (17)
C15—C14—P1118.82 (14)C9—N2—Mo1118.43 (13)
C1—Mo1—P1—C14101.14 (9)C20—C21—C22—C230.6 (4)
C2—Mo1—P1—C1413.52 (8)C21—C22—C23—C24−1.5 (4)
N2—Mo1—P1—C14−158.69 (8)C22—C23—C24—C250.9 (4)
N1—Mo1—P1—C14−86.79 (7)C21—C20—C25—C24−1.7 (3)
C1—Mo1—P1—C20−19.34 (10)P1—C20—C25—C24−179.15 (19)
C2—Mo1—P1—C20−106.96 (9)C23—C24—C25—C200.8 (4)
N2—Mo1—P1—C2080.83 (8)C14—P1—C26—C3117.05 (19)
N1—Mo1—P1—C20152.72 (8)C20—P1—C26—C31122.18 (18)
C1—Mo1—P1—C26−139.63 (10)Mo1—P1—C26—C31−109.39 (18)
C2—Mo1—P1—C26132.75 (9)C14—P1—C26—C27−166.29 (15)
N2—Mo1—P1—C26−39.46 (8)C20—P1—C26—C27−61.16 (16)
N1—Mo1—P1—C2632.43 (8)Mo1—P1—C26—C2767.27 (15)
N1—C4—C5—C60.1 (4)C31—C26—C27—C28−1.1 (3)
C4—C5—C6—C7−0.4 (4)P1—C26—C27—C28−177.93 (16)
C5—C6—C7—C8−0.3 (4)C26—C27—C28—C290.7 (3)
C6—C7—C8—N11.4 (3)C27—C28—C29—C300.0 (4)
C6—C7—C8—C9−175.2 (2)C28—C29—C30—C31−0.4 (4)
N1—C8—C9—N20.6 (3)C27—C26—C31—C300.8 (3)
C7—C8—C9—N2177.40 (18)P1—C26—C31—C30177.4 (2)
N1—C8—C9—C10−177.78 (19)C29—C30—C31—C260.0 (4)
C7—C8—C9—C10−1.0 (3)C5—C4—N1—C80.9 (3)
N2—C9—C10—C11−1.9 (3)C5—C4—N1—Mo1179.41 (17)
C8—C9—C10—C11176.4 (2)C7—C8—N1—C4−1.7 (3)
C9—C10—C11—C121.2 (4)C9—C8—N1—C4175.21 (17)
C10—C11—C12—C130.4 (5)C7—C8—N1—Mo1179.76 (15)
C11—C12—C13—N2−1.3 (4)C9—C8—N1—Mo1−3.4 (2)
C20—P1—C14—C19−8.21 (18)C2—Mo1—N1—C43.97 (17)
C26—P1—C14—C1997.13 (17)C3—Mo1—N1—C4−79.92 (17)
Mo1—P1—C14—C19−136.86 (14)N2—Mo1—N1—C4−175.09 (17)
C20—P1—C14—C15172.80 (15)P1—Mo1—N1—C495.70 (16)
C26—P1—C14—C15−81.86 (16)C2—Mo1—N1—C8−177.54 (14)
Mo1—P1—C14—C1544.15 (16)C3—Mo1—N1—C898.57 (15)
C19—C14—C15—C16−0.7 (3)N2—Mo1—N1—C83.41 (13)
P1—C14—C15—C16178.40 (16)P1—Mo1—N1—C8−85.81 (13)
C14—C15—C16—C171.8 (3)C12—C13—N2—C90.6 (3)
C15—C16—C17—C18−1.7 (3)C12—C13—N2—Mo1−179.26 (19)
C16—C17—C18—C190.4 (3)C10—C9—N2—C131.0 (3)
C17—C18—C19—C140.7 (3)C8—C9—N2—C13−177.45 (18)
C15—C14—C19—C18−0.6 (3)C10—C9—N2—Mo1−179.10 (16)
P1—C14—C19—C18−179.59 (16)C8—C9—N2—Mo12.4 (2)
C14—P1—C20—C2594.16 (19)C1—Mo1—N2—C130.37 (18)
C26—P1—C20—C25−11.4 (2)C3—Mo1—N2—C1383.91 (17)
Mo1—P1—C20—C25−138.29 (17)N1—Mo1—N2—C13176.82 (18)
C14—P1—C20—C21−83.26 (17)P1—Mo1—N2—C13−93.44 (16)
C26—P1—C20—C21171.20 (17)C1—Mo1—N2—C9−179.51 (14)
Mo1—P1—C20—C2144.29 (18)C3—Mo1—N2—C9−95.97 (15)
C25—C20—C21—C221.0 (3)N1—Mo1—N2—C9−3.06 (13)
P1—C20—C21—C22178.58 (17)P1—Mo1—N2—C986.68 (14)
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
C12—H12···O2i0.932.413.336 (4)171
Symmetry codes: (i) x+1, y+1, z.
Selected geometric parameters (Å) top
Mo1—C11.936 (2)Mo1—N22.2390 (16)
Mo1—C21.942 (2)Mo1—N12.2491 (15)
Mo1—C31.961 (2)Mo1—P12.6026 (5)
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
C12—H12···O2i0.932.413.336 (4)171
Symmetry codes: (i) x+1, y+1, z.
references
References top

Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1995). International Tables for Crystallography, Vol. C, section 9.5, pp. 685–706. Dordrecht: Kluwer.

Bruker (1999). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.

Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565–?.

Howie, R. A. & McQuillan, G. P. (1986). J. Chem. Soc. Dalton Trans. pp. 759–764.

Muir, K. J., McQuillan, G. P. & Harrison, W. T. A. (2007). Acta Cryst. E63, m0000–?. [LH2494]

Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of Göttingen, Germany.