Pentane and tetra­hydro­furan solvates of trans-di­chloro­bis­[1,2-ethane­diyl­bis­(di­phenyl­phos­phine)-P,P']­molybdenum(II)

trans-[MoCl₂(dppe)₂] [dppe is 1,2-ethane­diyl­bis­(di­phenyl­phos­phine), C₂₆H₂₄P₂] was obtained as a side product from the reaction of trans-[Mo(dppe)₂(N₂)₂] with Cp*GeCl to give the germyl­yne complex trans-[Cl(dppe)₂Mo[triple bond]Ge([eta]¹-Cp*)]. The crystal structures of the hemi­pentane (0.5C₅H₁₂) and di­tetra­hydro­furan (2C₄H₈O) solvates of trans-[MoCl₂(dppe)₂], (IIIa) and (IIIb), respectively, have been determined.

Computing details

Data collection: IPDS2.87 (Stoe & Cie, 1997) for (IIIa); STADI4-1.06 (Stoe & Cie, 1997) for (IIIb). Cell refinement: IPDS2.87 for (IIIa); STADI4-1.06 for (IIIb). Data reduction: IPDS2.87 for (IIIa); X-RED1.07 (Stoe & Cie, 1997) for (IIIb). For both compounds, program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XSTEP-2.18 (Stoe & Cie, 1997); software used to prepare material for publication: SHELXL97.

(IIIa) trans-Dichlorobis[1,2-ethandiylbis[diphenylphosphane]-P,P']molybdenum

Crystal data

[MoCl2(C26H24P2)2]·0.5C5H12	F(000) = 4136
Mr = 999.70	Dx = 1.371 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 49.542 (11) Å	Cell parameters from 5000 reflections
b = 10.958 (3) Å	θ = 5.0–20.3°
c = 18.123 (4) Å	µ = 0.55 mm^−1
β = 100.03 (3)°	T = 180 K
V = 9688 (4) Å^3	Plate, yellow
Z = 8	0.24 × 0.20 × 0.04 mm

Data collection

Stoe IPDS diffractometer	8494 independent reflections
Radiation source: fine-focus sealed X-ray tube	2986 reflections with I > 2σ(I)
Planar graphite monochromator	Rint = 0.099
Detector resolution: 6.667 pixels mm^-1	θmax = 25.1°, θmin = 2.2°
φ–oscill., φ–incr. = 1.3°, 183 exposures scans	h = −58→58
Absorption correction: part of the refinement model (ΔF) (ABSCOR; Stoe & Cie, 1997)	k = −13→13
Tmin = 0.879, Tmax = 0.978	l = −21→21
29774 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.074	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.157	H-atom parameters not refined
S = 0.80	w = 1/[σ^2(Fo^2) + (0.0326P)^2] where P = (Fo^2 + 2Fc^2)/3
8494 reflections	(Δ/σ)max = 0.028
555 parameters	Δρmax = 1.24 e Å^−3
3 restraints	Δρmin = −1.09 e Å^−3

Special details

Experimental. Recrystallized from pentan/toluene. During data collection the crystal was in cold N₂ gas of the Cryostream Cooler (Oxford Cryosystems, 1992) mounted on a φ-axis diffractometer supplied with an area detector.

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 (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
C1	0.14558 (18)	−0.2861 (8)	0.2353 (5)	0.035 (2)
H1A	0.1422	−0.2491	0.2828	0.041*
H1B	0.1438	−0.3757	0.2395	0.041*
C2	0.1746 (2)	−0.2545 (9)	0.2235 (5)	0.040 (3)
H2A	0.1879	−0.3007	0.2601	0.048*
H2B	0.1779	−0.1665	0.2337	0.048*
C3	0.1135 (2)	−0.4313 (9)	−0.1444 (5)	0.040 (3)
H3A	0.1180	−0.4284	−0.1955	0.048*
H3B	0.1040	−0.5093	−0.1389	0.048*
C4	0.0945 (2)	−0.3242 (10)	−0.1340 (5)	0.044 (3)
H4A	0.0769	−0.3333	−0.1689	0.053*
H4B	0.1030	−0.2465	−0.1458	0.053*
C11	0.0882 (2)	−0.2785 (10)	0.1907 (5)	0.041 (3)
C12	0.0804 (2)	−0.4009 (10)	0.1848 (6)	0.048 (3)
H12	0.0909	−0.4588	0.1628	0.057*
C13	0.0569 (2)	−0.4365 (12)	0.2122 (7)	0.065 (4)
H13	0.0516	−0.5199	0.2086	0.078*
C14	0.0414 (3)	−0.3568 (14)	0.2434 (6)	0.071 (4)
H14	0.0261	−0.3852	0.2636	0.085*
C15	0.0479 (3)	−0.2331 (13)	0.2462 (8)	0.083 (5)
H15	0.0362	−0.1763	0.2648	0.099*
C16	0.0713 (2)	−0.1928 (12)	0.2218 (7)	0.069 (4)
H16	0.0762	−0.1089	0.2256	0.083*
C17	0.1201 (2)	−0.0667 (9)	0.1715 (5)	0.039 (3)
C18	0.1088 (2)	0.0126 (9)	0.1110 (6)	0.047 (3)
H18	0.1010	−0.0214	0.0638	0.056*
C19	0.1091 (2)	0.1372 (10)	0.1204 (6)	0.054 (3)
H19	0.1014	0.1885	0.0800	0.065*
C20	0.1206 (2)	0.1875 (11)	0.1876 (6)	0.053 (3)
H20	0.1206	0.2737	0.1932	0.064*
C21	0.1325 (2)	0.1141 (10)	0.2490 (6)	0.057 (3)
H21	0.1406	0.1509	0.2950	0.068*
C22	0.1320 (2)	−0.0118 (9)	0.2415 (5)	0.043 (3)
H22	0.1396	−0.0618	0.2828	0.051*
C31	0.20196 (19)	−0.1591 (8)	0.1085 (4)	0.028 (2)
C32	0.1918 (2)	−0.0387 (9)	0.1154 (5)	0.040 (3)
H32	0.1746	−0.0269	0.1311	0.048*
C33	0.2069 (2)	0.0611 (10)	0.0991 (5)	0.045 (3)
H33	0.1997	0.1407	0.1034	0.054*
C34	0.2320 (2)	0.0481 (10)	0.0768 (5)	0.048 (3)
H34	0.2422	0.1184	0.0673	0.057*
C35	0.2424 (2)	−0.0667 (11)	0.0683 (5)	0.054 (3)
H35	0.2593	−0.0765	0.0511	0.065*
C36	0.22741 (19)	−0.1707 (9)	0.0859 (5)	0.036 (2)
H36	0.2349	−0.2498	0.0821	0.043*
C37	0.2066 (2)	−0.4117 (9)	0.1435 (5)	0.034 (2)
C38	0.2269 (2)	−0.4185 (10)	0.2071 (5)	0.044 (3)
H38	0.2278	−0.3580	0.2450	0.053*
C39	0.2458 (2)	−0.5139 (10)	0.2155 (5)	0.046 (3)
H39	0.2591	−0.5197	0.2599	0.056*
C40	0.2453 (2)	−0.6005 (10)	0.1592 (6)	0.048 (3)
H40	0.2584	−0.6644	0.1647	0.057*
C41	0.2254 (2)	−0.5933 (11)	0.0949 (6)	0.055 (3)
H41	0.2249	−0.6524	0.0563	0.066*
C42	0.2065 (2)	−0.5005 (9)	0.0873 (5)	0.043 (3)
H42	0.1931	−0.4960	0.0431	0.052*
C51	0.1697 (2)	−0.3522 (8)	−0.1262 (4)	0.033 (2)
C52	0.1872 (2)	−0.2589 (9)	−0.0941 (5)	0.037 (3)
H52	0.1870	−0.2365	−0.0436	0.045*
C53	0.2050 (2)	−0.1972 (9)	−0.1334 (5)	0.041 (3)
H53	0.2168	−0.1346	−0.1101	0.049*
C54	0.2050 (2)	−0.2301 (10)	−0.2080 (5)	0.047 (3)
H54	0.2166	−0.1881	−0.2360	0.056*
C55	0.1883 (2)	−0.3232 (10)	−0.2416 (5)	0.044 (3)
H55	0.1888	−0.3462	−0.2919	0.053*
C56	0.1710 (2)	−0.3822 (9)	−0.2016 (5)	0.043 (3)
H56	0.1595	−0.4452	−0.2254	0.052*
C57	0.1554 (2)	−0.5840 (8)	−0.0727 (5)	0.034 (2)
C58	0.1376 (2)	−0.6764 (10)	−0.0551 (5)	0.046 (3)
H58	0.1201	−0.6532	−0.0447	0.055*
C59	0.1446 (3)	−0.8018 (10)	−0.0522 (5)	0.051 (3)
H59	0.1320	−0.8615	−0.0408	0.061*
C60	0.1700 (2)	−0.8351 (11)	−0.0663 (5)	0.053 (3)
H60	0.1746	−0.9193	−0.0663	0.064*
C61	0.1893 (2)	−0.7496 (10)	−0.0807 (5)	0.049 (3)
H61	0.2071	−0.7747	−0.0876	0.058*
C62	0.1819 (2)	−0.6251 (10)	−0.0847 (5)	0.046 (3)
H62	0.1948	−0.5667	−0.0957	0.055*
C71	0.0627 (2)	−0.4424 (10)	−0.0402 (5)	0.038 (3)
C72	0.0684 (2)	−0.5485 (11)	0.0022 (6)	0.050 (3)
H725	0.0859	−0.5589	0.0329	0.060*
C73	0.0492 (3)	−0.6365 (11)	−0.0004 (7)	0.064 (4)
H73	0.0535	−0.7091	0.0279	0.076*
C74	0.0230 (3)	−0.6234 (11)	−0.0439 (8)	0.062 (3)
H74	0.0097	−0.6861	−0.0451	0.074*
C75	0.0170 (2)	−0.5192 (13)	−0.0843 (7)	0.062 (4)
H75	−0.0008	−0.5080	−0.1129	0.074*
C76	0.0366 (2)	−0.4298 (11)	−0.0840 (6)	0.052 (3)
H76	0.0324	−0.3589	−0.1139	0.063*
C77	0.0670 (2)	−0.1852 (10)	−0.0333 (5)	0.045 (3)
C78	0.0690 (2)	−0.0818 (10)	−0.0771 (6)	0.055 (3)
H78	0.0802	−0.0830	−0.1148	0.066*
C79	0.0541 (3)	0.0255 (11)	−0.0647 (7)	0.064 (3)
H79	0.0557	0.0978	−0.0925	0.076*
C80	0.0370 (3)	0.0222 (13)	−0.0108 (8)	0.073 (4)
H80	0.0266	0.0925	−0.0035	0.087*
C81	0.0349 (2)	−0.0807 (12)	0.0322 (7)	0.060 (3)
H81	0.0234	−0.0805	0.0689	0.072*
C82	0.0495 (2)	−0.1817 (12)	0.0212 (6)	0.056 (3)
H82	0.0481	−0.2522	0.0508	0.067*
C83	0.0000	−0.210 (3)	−0.2500	0.21 (2)
H83A	−0.0126	−0.2620	−0.2848	0.252*	0.50
H83B	0.0126	−0.2620	−0.2152	0.252*	0.50
C84	−0.0152 (6)	−0.123 (2)	−0.209 (2)	0.288 (19)
H84A	−0.0027	−0.0930	−0.1640	0.345*
H84B	−0.0213	−0.0525	−0.2414	0.345*
C85	−0.0395 (5)	−0.181 (2)	−0.1853 (13)	0.249 (19)
H85A	−0.0452	−0.1317	−0.1454	0.374*
H85B	−0.0348	−0.2632	−0.1668	0.374*
H85C	−0.0546	−0.1844	−0.2282	0.374*
Cl1	0.13622 (5)	−0.5178 (2)	0.10646 (12)	0.0399 (6)
Cl2	0.13788 (5)	−0.1276 (2)	−0.02028 (13)	0.0422 (6)
P1	0.11998 (6)	−0.2306 (2)	0.15804 (13)	0.0344 (7)
P2	0.18085 (6)	−0.2888 (2)	0.12733 (13)	0.0341 (7)
P3	0.14594 (5)	−0.4242 (2)	−0.07361 (12)	0.0335 (6)
P4	0.08827 (5)	−0.3205 (3)	−0.03786 (13)	0.0357 (7)
Mo	0.13465 (2)	−0.32020 (8)	0.04336 (4)	0.0322 (2)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.037 (6)	0.038 (6)	0.029 (5)	−0.007 (5)	0.008 (4)	−0.017 (4)
C2	0.058 (8)	0.032 (6)	0.033 (5)	0.005 (5)	0.015 (5)	0.000 (4)
C3	0.051 (7)	0.047 (6)	0.027 (5)	0.003 (5)	0.020 (5)	−0.004 (4)
C4	0.045 (7)	0.067 (7)	0.022 (4)	−0.005 (6)	0.010 (4)	−0.001 (5)
C11	0.043 (7)	0.052 (7)	0.031 (5)	−0.010 (5)	0.015 (5)	−0.015 (5)
C12	0.048 (7)	0.038 (7)	0.060 (7)	−0.012 (5)	0.018 (6)	0.001 (5)
C13	0.053 (9)	0.068 (9)	0.076 (8)	−0.016 (7)	0.016 (7)	0.013 (7)
C14	0.055 (9)	0.105 (12)	0.058 (7)	−0.017 (8)	0.026 (7)	−0.005 (7)
C15	0.074 (11)	0.078 (10)	0.111 (12)	−0.011 (8)	0.058 (9)	−0.027 (9)
C16	0.051 (8)	0.070 (9)	0.098 (9)	−0.014 (7)	0.042 (7)	−0.036 (8)
C17	0.041 (7)	0.043 (6)	0.036 (5)	−0.002 (5)	0.014 (5)	0.000 (5)
C18	0.069 (9)	0.033 (6)	0.041 (6)	0.002 (6)	0.020 (6)	−0.005 (5)
C19	0.071 (9)	0.043 (7)	0.050 (7)	0.005 (6)	0.012 (6)	0.008 (5)
C20	0.074 (9)	0.036 (6)	0.052 (6)	−0.001 (6)	0.019 (6)	−0.006 (6)
C21	0.074 (9)	0.056 (8)	0.042 (6)	−0.009 (7)	0.012 (6)	−0.011 (6)
C22	0.068 (8)	0.034 (6)	0.027 (5)	−0.001 (5)	0.009 (5)	−0.003 (4)
C31	0.039 (6)	0.026 (6)	0.022 (4)	−0.009 (5)	0.009 (4)	0.003 (4)
C32	0.052 (7)	0.035 (6)	0.031 (5)	−0.012 (5)	0.004 (5)	−0.004 (4)
C33	0.056 (8)	0.042 (7)	0.034 (5)	0.005 (6)	0.003 (5)	0.004 (5)
C34	0.067 (9)	0.035 (6)	0.043 (6)	−0.004 (6)	0.015 (6)	0.004 (5)
C35	0.073 (9)	0.059 (8)	0.032 (5)	−0.009 (7)	0.015 (6)	0.006 (5)
C36	0.043 (6)	0.029 (5)	0.036 (5)	−0.005 (5)	0.010 (5)	0.002 (5)
C37	0.038 (7)	0.044 (6)	0.024 (5)	0.001 (5)	0.012 (4)	0.002 (4)
C38	0.036 (7)	0.060 (7)	0.034 (5)	0.008 (6)	−0.004 (5)	−0.012 (5)
C39	0.046 (8)	0.054 (7)	0.036 (5)	0.001 (6)	−0.003 (5)	−0.001 (5)
C40	0.048 (8)	0.052 (7)	0.046 (6)	0.018 (6)	0.012 (6)	0.019 (5)
C41	0.072 (9)	0.064 (8)	0.030 (5)	0.025 (7)	0.012 (6)	−0.004 (5)
C42	0.055 (8)	0.048 (7)	0.027 (5)	0.004 (6)	0.011 (5)	0.003 (5)
C51	0.044 (7)	0.040 (6)	0.015 (4)	−0.003 (5)	0.002 (4)	0.004 (4)
C52	0.029 (6)	0.062 (7)	0.023 (5)	0.000 (5)	0.013 (4)	−0.001 (5)
C53	0.051 (7)	0.031 (6)	0.043 (5)	−0.012 (5)	0.012 (5)	−0.008 (5)
C54	0.052 (8)	0.059 (7)	0.034 (5)	−0.004 (6)	0.021 (5)	0.006 (5)
C55	0.061 (7)	0.043 (6)	0.030 (5)	−0.002 (6)	0.016 (5)	0.000 (5)
C56	0.066 (8)	0.036 (6)	0.030 (5)	0.002 (5)	0.015 (5)	0.003 (4)
C57	0.042 (7)	0.030 (6)	0.030 (5)	0.005 (5)	0.009 (5)	0.006 (4)
C58	0.064 (8)	0.039 (6)	0.039 (5)	−0.008 (6)	0.020 (5)	−0.005 (5)
C59	0.082 (10)	0.031 (7)	0.042 (6)	0.005 (6)	0.017 (6)	0.010 (5)
C60	0.082 (9)	0.049 (7)	0.029 (5)	−0.006 (7)	0.011 (6)	−0.013 (5)
C61	0.072 (9)	0.043 (7)	0.030 (5)	0.006 (6)	0.009 (5)	−0.007 (5)
C62	0.049 (8)	0.059 (8)	0.030 (5)	0.009 (6)	0.007 (5)	0.007 (5)
C71	0.035 (7)	0.047 (7)	0.033 (5)	0.001 (5)	0.012 (5)	−0.009 (5)
C72	0.046 (8)	0.067 (8)	0.039 (6)	−0.022 (6)	0.009 (5)	−0.011 (6)
C73	0.054 (9)	0.058 (9)	0.078 (8)	−0.018 (7)	0.009 (7)	−0.002 (7)
C74	0.050 (9)	0.038 (7)	0.100 (10)	−0.017 (6)	0.021 (8)	−0.005 (7)
C75	0.035 (8)	0.085 (10)	0.064 (8)	−0.002 (7)	0.007 (6)	−0.025 (7)
C76	0.034 (7)	0.066 (8)	0.057 (7)	−0.012 (6)	0.008 (6)	−0.014 (6)
C77	0.047 (7)	0.045 (7)	0.042 (6)	0.006 (6)	0.008 (5)	−0.009 (6)
C78	0.064 (9)	0.041 (7)	0.054 (7)	0.015 (6)	−0.005 (6)	0.001 (6)
C79	0.075 (10)	0.040 (7)	0.072 (8)	0.013 (7)	0.003 (7)	−0.001 (6)
C80	0.046 (9)	0.082 (11)	0.084 (9)	0.018 (7)	−0.004 (7)	−0.024 (8)
C81	0.052 (8)	0.068 (9)	0.062 (7)	−0.003 (7)	0.013 (6)	0.000 (7)
C82	0.035 (7)	0.078 (9)	0.057 (7)	0.026 (7)	0.010 (6)	−0.015 (7)
C83	0.38 (6)	0.11 (3)	0.10 (2)	0.000	−0.09 (3)	0.000
C84	0.36 (6)	0.17 (3)	0.31 (6)	−0.02 (3)	0.00 (4)	−0.08 (3)
C85	0.42 (5)	0.22 (3)	0.15 (2)	−0.20 (3)	0.15 (3)	−0.09 (2)
Cl1	0.0513 (18)	0.0397 (15)	0.0302 (12)	−0.0025 (13)	0.0116 (12)	0.0038 (11)
Cl2	0.0479 (17)	0.0458 (15)	0.0339 (13)	−0.0031 (12)	0.0102 (12)	−0.0006 (11)
P1	0.0429 (18)	0.0381 (16)	0.0236 (12)	0.0011 (13)	0.0097 (12)	−0.0024 (11)
P2	0.0406 (18)	0.0405 (17)	0.0228 (12)	0.0009 (13)	0.0102 (12)	0.0001 (11)
P3	0.0411 (17)	0.0390 (16)	0.0225 (12)	−0.0015 (13)	0.0115 (12)	0.0016 (11)
P4	0.0367 (18)	0.0430 (16)	0.0276 (13)	−0.0011 (15)	0.0066 (12)	−0.0012 (13)
Mo	0.0393 (6)	0.0372 (5)	0.0216 (4)	−0.0002 (5)	0.0095 (4)	−0.0004 (4)

Geometric parameters (Å, º)

C1—C2	1.529 (12)	C51—P3	1.820 (9)
C1—P1	1.822 (10)	C52—C53	1.402 (12)
C2—P2	1.861 (8)	C53—C54	1.399 (12)
C3—C4	1.537 (13)	C54—C55	1.386 (14)
C3—P3	1.876 (10)	C55—C56	1.375 (12)
C4—P4	1.823 (8)	C57—C58	1.415 (13)
C11—C12	1.394 (13)	C57—C62	1.441 (13)
C11—C16	1.435 (13)	C57—P3	1.813 (9)
C11—P1	1.852 (10)	C58—C59	1.416 (14)
C12—C13	1.399 (13)	C59—C60	1.380 (14)
C13—C14	1.350 (16)	C60—C61	1.394 (14)
C14—C15	1.392 (16)	C61—C62	1.411 (13)
C15—C16	1.384 (14)	C71—C72	1.395 (14)
C17—C18	1.434 (13)	C71—C76	1.401 (14)
C17—C22	1.435 (13)	C71—P4	1.836 (11)
C17—P1	1.813 (10)	C72—C73	1.352 (14)
C18—C19	1.376 (13)	C73—C74	1.402 (16)
C19—C20	1.368 (15)	C74—C75	1.360 (16)
C20—C21	1.415 (15)	C75—C76	1.379 (15)
C21—C22	1.387 (13)	C77—C78	1.398 (14)
C31—C36	1.398 (11)	C77—C82	1.421 (12)
C31—C32	1.426 (12)	C77—P4	1.830 (11)
C31—P2	1.831 (9)	C78—C79	1.428 (14)
C32—C33	1.385 (13)	C79—C80	1.398 (16)
C33—C34	1.384 (13)	C80—C81	1.384 (16)
C34—C35	1.378 (14)	C81—C82	1.356 (15)
C35—C36	1.427 (13)	C83—C84	1.489 (17)
C37—C38	1.392 (13)	C83—C84^i	1.489 (17)
C37—C42	1.408 (12)	C84—C85	1.483 (18)
C37—P2	1.844 (10)	Cl1—Mo	2.444 (3)
C38—C39	1.395 (13)	Cl2—Mo	2.424 (3)
C39—C40	1.390 (13)	P1—Mo	2.518 (2)
C40—C41	1.391 (14)	P2—Mo	2.542 (3)
C41—C42	1.372 (14)	P3—Mo	2.553 (2)
C51—C52	1.399 (13)	P4—Mo	2.504 (3)
C51—C56	1.417 (11)
C2—C1—P1	111.2 (6)	C73—C72—C71	120.0 (12)
C1—C2—P2	113.6 (7)	C72—C73—C74	121.7 (13)
C4—C3—P3	110.8 (7)	C75—C74—C73	118.7 (11)
C3—C4—P4	110.1 (7)	C74—C75—C76	120.5 (13)
C12—C11—C16	119.2 (9)	C75—C76—C71	120.8 (12)
C12—C11—P1	119.1 (7)	C78—C77—C82	119.1 (10)
C16—C11—P1	121.7 (8)	C78—C77—P4	122.1 (7)
C11—C12—C13	118.5 (10)	C82—C77—P4	118.6 (9)
C14—C13—C12	122.5 (12)	C77—C78—C79	119.1 (10)
C13—C14—C15	120.1 (11)	C80—C79—C78	118.8 (12)
C16—C15—C14	120.0 (12)	C81—C80—C79	121.9 (12)
C15—C16—C11	119.6 (11)	C82—C81—C80	119.2 (11)
C18—C17—C22	117.9 (9)	C81—C82—C77	121.9 (12)
C18—C17—P1	120.4 (7)	C84—C83—C84^i	101 (3)
C22—C17—P1	121.7 (8)	C85—C84—C83	112.5 (16)
C19—C18—C17	120.8 (10)	C17—P1—C1	104.0 (4)
C20—C19—C18	120.3 (11)	C17—P1—C11	102.7 (5)
C19—C20—C21	121.5 (11)	C1—P1—C11	100.2 (4)
C22—C21—C20	119.4 (10)	C17—P1—Mo	120.2 (3)
C21—C22—C17	120.0 (10)	C1—P1—Mo	104.0 (3)
C36—C31—C32	117.5 (8)	C11—P1—Mo	122.5 (3)
C36—C31—P2	123.9 (7)	C31—P2—C37	101.2 (4)
C32—C31—P2	118.6 (7)	C31—P2—C2	102.2 (4)
C33—C32—C31	119.9 (9)	C37—P2—C2	102.9 (4)
C34—C33—C32	122.0 (10)	C31—P2—Mo	118.5 (3)
C35—C34—C33	119.9 (10)	C37—P2—Mo	121.5 (3)
C34—C35—C36	119.1 (10)	C2—P2—Mo	107.9 (3)
C31—C36—C35	121.6 (9)	C57—P3—C51	103.5 (4)
C38—C37—C42	118.3 (9)	C57—P3—C3	98.9 (5)
C38—C37—P2	123.4 (7)	C51—P3—C3	102.4 (4)
C42—C37—P2	118.3 (7)	C57—P3—Mo	121.1 (3)
C37—C38—C39	120.2 (9)	C51—P3—Mo	119.8 (3)
C40—C39—C38	120.4 (10)	C3—P3—Mo	107.5 (3)
C39—C40—C41	119.7 (10)	C4—P4—C77	104.8 (5)
C42—C41—C40	119.8 (10)	C4—P4—C71	101.1 (5)
C41—C42—C37	121.5 (10)	C77—P4—C71	100.9 (5)
C52—C51—C56	116.2 (8)	C4—P4—Mo	105.8 (3)
C52—C51—P3	120.6 (6)	C77—P4—Mo	116.7 (4)
C56—C51—P3	123.2 (8)	C71—P4—Mo	125.0 (4)
C51—C52—C53	122.7 (8)	Cl2—Mo—Cl1	174.24 (10)
C54—C53—C52	118.2 (9)	Cl2—Mo—P4	81.45 (10)
C55—C54—C53	120.9 (9)	Cl1—Mo—P4	103.00 (10)
C56—C55—C54	119.6 (9)	Cl2—Mo—P1	96.08 (9)
C55—C56—C51	122.4 (10)	Cl1—Mo—P1	87.09 (8)
C58—C57—C62	115.5 (9)	P4—Mo—P1	96.81 (9)
C58—C57—P3	121.6 (7)	Cl2—Mo—P2	92.28 (9)
C62—C57—P3	122.8 (8)	Cl1—Mo—P2	83.57 (9)
C57—C58—C59	123.0 (10)	P4—Mo—P2	172.21 (10)
C60—C59—C58	118.4 (10)	P1—Mo—P2	79.18 (9)
C59—C60—C61	122.3 (11)	Cl2—Mo—P3	87.21 (8)
C60—C61—C62	118.6 (11)	Cl1—Mo—P3	89.97 (8)
C61—C62—C57	122.0 (10)	P4—Mo—P3	79.78 (9)
C72—C71—C76	118.2 (10)	P1—Mo—P3	174.89 (10)
C72—C71—P4	121.4 (8)	P2—Mo—P3	104.65 (9)
C76—C71—P4	120.4 (9)
P1—C1—C2—P2	−46.4 (8)	C1—C2—P2—C31	141.2 (7)
P3—C3—C4—P4	−54.5 (8)	C1—C2—P2—C37	−114.1 (7)
C16—C11—C12—C13	−2.3 (17)	C1—C2—P2—Mo	15.5 (8)
P1—C11—C12—C13	177.7 (9)	C58—C57—P3—C51	−162.8 (8)
C11—C12—C13—C14	0.4 (19)	C62—C57—P3—C51	21.4 (9)
C12—C13—C14—C15	3 (2)	C58—C57—P3—C3	−57.7 (8)
C13—C14—C15—C16	−5 (2)	C62—C57—P3—C3	126.6 (8)
C14—C15—C16—C11	3 (2)	C58—C57—P3—Mo	59.1 (9)
C12—C11—C16—C15	0.7 (19)	C62—C57—P3—Mo	−116.6 (7)
P1—C11—C16—C15	−179.3 (11)	C52—C51—P3—C57	−122.0 (8)
C22—C17—C18—C19	−1.0 (15)	C56—C51—P3—C57	60.8 (9)
P1—C17—C18—C19	−179.1 (8)	C52—C51—P3—C3	135.5 (8)
C17—C18—C19—C20	0.9 (17)	C56—C51—P3—C3	−41.7 (9)
C18—C19—C20—C21	0.2 (17)	C52—C51—P3—Mo	16.7 (9)
C19—C20—C21—C22	−1.3 (17)	C56—C51—P3—Mo	−160.5 (7)
C20—C21—C22—C17	1.1 (16)	C4—C3—P3—C57	156.1 (6)
C18—C17—C22—C21	−0.1 (15)	C4—C3—P3—C51	−97.8 (6)
P1—C17—C22—C21	178.0 (8)	C4—C3—P3—Mo	29.3 (7)
C36—C31—C32—C33	0.7 (13)	C3—C4—P4—C77	177.3 (7)
P2—C31—C32—C33	−177.9 (7)	C3—C4—P4—C71	−78.2 (8)
C31—C32—C33—C34	−0.7 (15)	C3—C4—P4—Mo	53.3 (7)
C32—C33—C34—C35	1.7 (16)	C78—C77—P4—C4	−30.8 (10)
C33—C34—C35—C36	−2.6 (16)	C82—C77—P4—C4	154.6 (9)
C32—C31—C36—C35	−1.6 (14)	C78—C77—P4—C71	−135.5 (9)
P2—C31—C36—C35	176.9 (7)	C82—C77—P4—C71	49.9 (9)
C34—C35—C36—C31	2.7 (15)	C78—C77—P4—Mo	85.8 (9)
C42—C37—C38—C39	−2.3 (14)	C82—C77—P4—Mo	−88.8 (9)
P2—C37—C38—C39	−179.7 (7)	C72—C71—P4—C4	115.1 (8)
C37—C38—C39—C40	2.3 (15)	C76—C71—P4—C4	−66.0 (8)
C38—C39—C40—C41	−1.2 (16)	C72—C71—P4—C77	−137.2 (8)
C39—C40—C41—C42	0.2 (16)	C76—C71—P4—C77	41.7 (8)
C40—C41—C42—C37	−0.2 (16)	C72—C71—P4—Mo	−3.2 (9)
C38—C37—C42—C41	1.3 (15)	C76—C71—P4—Mo	175.7 (6)
P2—C37—C42—C41	178.8 (8)	C4—P4—Mo—Cl2	63.0 (4)
C56—C51—C52—C53	0.2 (15)	C77—P4—Mo—Cl2	−53.1 (4)
P3—C51—C52—C53	−177.2 (8)	C71—P4—Mo—Cl2	179.2 (3)
C51—C52—C53—C54	0.6 (15)	C4—P4—Mo—Cl1	−113.2 (4)
C52—C53—C54—C55	−1.5 (16)	C77—P4—Mo—Cl1	130.7 (4)
C53—C54—C55—C56	1.5 (16)	C71—P4—Mo—Cl1	3.0 (3)
C54—C55—C56—C51	−0.7 (16)	C4—P4—Mo—P1	158.2 (4)
C52—C51—C56—C55	−0.2 (15)	C77—P4—Mo—P1	42.1 (4)
P3—C51—C56—C55	177.1 (8)	C71—P4—Mo—P1	−85.6 (3)
C62—C57—C58—C59	−2.5 (14)	C4—P4—Mo—P2	99.7 (7)
P3—C57—C58—C59	−178.5 (7)	C77—P4—Mo—P2	−16.4 (8)
C57—C58—C59—C60	0.8 (15)	C71—P4—Mo—P2	−144.1 (7)
C58—C59—C60—C61	2.2 (15)	C4—P4—Mo—P3	−25.6 (4)
C59—C60—C61—C62	−3.4 (15)	C77—P4—Mo—P3	−141.8 (4)
C60—C61—C62—C57	1.5 (15)	C71—P4—Mo—P3	90.6 (3)
C58—C57—C62—C61	1.3 (14)	C17—P1—Mo—Cl2	−8.0 (4)
P3—C57—C62—C61	177.3 (8)	C1—P1—Mo—Cl2	−123.7 (3)
C76—C71—C72—C73	0.8 (14)	C11—P1—Mo—Cl2	124.2 (4)
P4—C71—C72—C73	179.7 (8)	C17—P1—Mo—Cl1	167.2 (4)
C71—C72—C73—C74	−1.4 (16)	C1—P1—Mo—Cl1	51.4 (3)
C72—C73—C74—C75	0.1 (18)	C11—P1—Mo—Cl1	−60.6 (4)
C73—C74—C75—C76	1.8 (17)	C17—P1—Mo—P4	−90.1 (4)
C74—C75—C76—C71	−2.3 (16)	C1—P1—Mo—P4	154.2 (3)
C72—C71—C76—C75	1.0 (14)	C11—P1—Mo—P4	42.2 (4)
P4—C71—C76—C75	−178.0 (8)	C17—P1—Mo—P2	83.1 (4)
C82—C77—C78—C79	1.6 (16)	C1—P1—Mo—P2	−32.6 (3)
P4—C77—C78—C79	−172.9 (9)	C11—P1—Mo—P2	−144.6 (4)
C77—C78—C79—C80	−2.4 (18)	C17—P1—Mo—P3	−137.9 (11)
C78—C79—C80—C81	2.0 (19)	C1—P1—Mo—P3	106.4 (12)
C79—C80—C81—C82	−0.8 (19)	C11—P1—Mo—P3	−5.7 (13)
C80—C81—C82—C77	−0.1 (18)	C31—P2—Mo—Cl2	−7.5 (3)
C78—C77—C82—C81	−0.4 (17)	C37—P2—Mo—Cl2	−133.8 (3)
P4—C77—C82—C81	174.3 (9)	C2—P2—Mo—Cl2	108.0 (3)
C84^i—C83—C84—C85	159 (4)	C31—P2—Mo—Cl1	168.5 (3)
C18—C17—P1—C1	161.5 (8)	C37—P2—Mo—Cl1	42.2 (3)
C22—C17—P1—C1	−16.6 (9)	C2—P2—Mo—Cl1	−76.1 (3)
C18—C17—P1—C11	−94.5 (8)	C31—P2—Mo—P4	−43.7 (8)
C22—C17—P1—C11	87.5 (9)	C37—P2—Mo—P4	−170.0 (6)
C18—C17—P1—Mo	45.7 (9)	C2—P2—Mo—P4	71.7 (7)
C22—C17—P1—Mo	−132.3 (7)	C31—P2—Mo—P1	−103.2 (3)
C2—C1—P1—C17	−72.4 (7)	C37—P2—Mo—P1	130.4 (3)
C2—C1—P1—C11	−178.4 (6)	C2—P2—Mo—P1	12.2 (3)
C2—C1—P1—Mo	54.2 (6)	C31—P2—Mo—P3	80.2 (3)
C12—C11—P1—C17	176.6 (9)	C37—P2—Mo—P3	−46.1 (3)
C16—C11—P1—C17	−3.3 (10)	C2—P2—Mo—P3	−164.3 (3)
C12—C11—P1—C1	−76.4 (9)	C57—P3—Mo—Cl2	167.0 (4)
C16—C11—P1—C1	103.7 (10)	C51—P3—Mo—Cl2	35.6 (4)
C12—C11—P1—Mo	37.6 (10)	C3—P3—Mo—Cl2	−80.6 (3)
C16—C11—P1—Mo	−142.4 (8)	C57—P3—Mo—Cl1	−8.0 (4)
C36—C31—P2—C37	20.4 (9)	C51—P3—Mo—Cl1	−139.4 (4)
C32—C31—P2—C37	−161.1 (7)	C3—P3—Mo—Cl1	104.4 (3)
C36—C31—P2—C2	126.3 (8)	C57—P3—Mo—P4	−111.2 (4)
C32—C31—P2—C2	−55.2 (8)	C51—P3—Mo—P4	117.4 (4)
C36—C31—P2—Mo	−115.2 (8)	C3—P3—Mo—P4	1.2 (3)
C32—C31—P2—Mo	63.3 (7)	C57—P3—Mo—P1	−62.8 (13)
C38—C37—P2—C31	71.3 (9)	C51—P3—Mo—P1	165.8 (11)
C42—C37—P2—C31	−106.1 (8)	C3—P3—Mo—P1	49.6 (12)
C38—C37—P2—C2	−34.2 (9)	C57—P3—Mo—P2	75.4 (4)
C42—C37—P2—C2	148.4 (7)	C51—P3—Mo—P2	−56.1 (4)
C38—C37—P2—Mo	−154.9 (7)	C3—P3—Mo—P2	−172.2 (3)
C42—C37—P2—Mo	27.7 (8)

Symmetry code: (i) −x, y, −z−1/2.

(IIIb) trans-Dichlorobis[1,2-ethandiylbis[diphenylphosphane]-P,P']molybdenum

Crystal data

[MoCl2(C26H24P2)2]·2C4H8O	F(000) = 1152
Mr = 1107.83	Dx = 1.397 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 11.3197 (11) Å	Cell parameters from 26 reflections
b = 13.4052 (14) Å	θ = 13.5–16.4°
c = 17.455 (2) Å	µ = 0.52 mm^−1
β = 96.093 (11)°	T = 180 K
V = 2633.7 (4) Å^3	Block, brown
Z = 2	0.80 × 0.54 × 0.28 mm

Data collection

Stoe Stadi-4 diffractometer	4065 reflections with I > 2σ(I)
Radiation source: fine-focus sealed X-ray tube	Rint = 0.032
Planar graphite monochromator	θmax = 25.0°, θmin = 1.8°
2θ/ω scans, ratio = 1.0, width (ω) = 1.2–1.68°	h = −13→13
Absorption correction: ψ scan (North et al., 1968)	k = 0→15
Tmin = 0.683, Tmax = 0.869	l = −20→20
6801 measured reflections	3 standard reflections every 120 min
4617 independent reflections	intensity decay: 8.6%

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.033	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.094	H-atom parameters not refined
S = 1.07	w = 1/[σ^2(Fo^2) + (0.0565P)^2 + 1.227P] where P = (Fo^2 + 2Fc^2)/3
4617 reflections	(Δ/σ)max = 0.009
313 parameters	Δρmax = 0.80 e Å^−3
1 restraint	Δρmin = −0.85 e Å^−3

Special details

Experimental. Recrystallized from tetrahydrofurane. During data collection the crystal was in cold N₂ gas of the Cryostream Cooler (Oxford Cryosystems, 1992) mounted on a φ-axis diffractometer supplied with an area detector.

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 (Ų)

	x	y	z	Uiso*/Ueq
C1	−0.2744 (2)	−0.09477 (17)	−0.10487 (14)	0.0253 (5)
C2	−0.3390 (2)	−0.05496 (19)	−0.17043 (15)	0.0316 (6)
H2	−0.2998	−0.0389	−0.2143	0.038*
C3	−0.4607 (2)	−0.0387 (2)	−0.17162 (18)	0.0422 (7)
H3	−0.5040	−0.0109	−0.2162	0.051*
C4	−0.5185 (2)	−0.0625 (2)	−0.10882 (19)	0.0436 (7)
H4	−0.6013	−0.0505	−0.1097	0.052*
C5	−0.4558 (2)	−0.1042 (2)	−0.04412 (18)	0.0388 (7)
H5	−0.4963	−0.1229	−0.0013	0.047*
C6	−0.3340 (2)	−0.11877 (19)	−0.04172 (15)	0.0303 (5)
H6	−0.2911	−0.1453	0.0034	0.036*
C7	−0.0943 (2)	−0.24637 (18)	−0.09879 (13)	0.0255 (5)
C8	−0.1893 (2)	−0.31124 (19)	−0.11594 (16)	0.0337 (6)
H8	−0.2671	−0.2854	−0.1285	0.040*
C9	−0.1708 (3)	−0.4140 (2)	−0.11482 (18)	0.0420 (7)
H9	−0.2361	−0.4579	−0.1264	0.050*
C10	−0.0582 (3)	−0.4523 (2)	−0.09695 (17)	0.0398 (7)
H10	−0.0460	−0.5224	−0.0959	0.048*
C11	0.0361 (3)	−0.3890 (2)	−0.08070 (17)	0.0403 (7)
H11	0.1138	−0.4155	−0.0690	0.048*
C12	0.0190 (2)	−0.28608 (19)	−0.08119 (16)	0.0335 (6)
H12	0.0849	−0.2428	−0.0695	0.040*
C13	−0.0666 (2)	−0.07568 (18)	−0.19102 (13)	0.0259 (5)
H13A	0.0133	−0.1039	−0.1953	0.031*
H13B	−0.1222	−0.1062	−0.2320	0.031*
C14	0.1449 (2)	−0.20764 (18)	0.13228 (14)	0.0281 (5)
C15	0.2447 (2)	−0.2041 (2)	0.09352 (17)	0.0395 (6)
H15	0.2501	−0.1559	0.0542	0.047*
C16	0.3383 (3)	−0.2712 (3)	0.11179 (18)	0.0490 (8)
H16	0.4069	−0.2682	0.0849	0.059*
C17	0.3311 (3)	−0.3417 (2)	0.16882 (19)	0.0458 (7)
H17	0.3938	−0.3881	0.1803	0.055*
C18	0.2332 (3)	−0.3447 (2)	0.20896 (19)	0.0441 (7)
H18	0.2289	−0.3922	0.2490	0.053*
C19	0.1403 (2)	−0.2781 (2)	0.19089 (17)	0.0382 (6)
H19	0.0728	−0.2806	0.2188	0.046*
C20	−0.1049 (2)	−0.18610 (18)	0.13252 (14)	0.0259 (5)
C21	−0.1917 (2)	−0.1512 (2)	0.17613 (16)	0.0381 (6)
H21	−0.1808	−0.0892	0.2022	0.046*
C22	−0.2945 (3)	−0.2062 (3)	0.18209 (19)	0.0514 (8)
H22	−0.3538	−0.1811	0.2116	0.062*
C23	−0.3107 (3)	−0.2973 (3)	0.14507 (19)	0.0503 (8)
H23	−0.3805	−0.3350	0.1498	0.060*
C24	−0.2256 (3)	−0.3330 (2)	0.10151 (18)	0.0432 (7)
H24	−0.2369	−0.3953	0.0758	0.052*
C25	−0.1231 (2)	−0.27803 (19)	0.09508 (15)	0.0315 (6)
H25	−0.0646	−0.3031	0.0649	0.038*
C26	0.0625 (2)	−0.03727 (19)	0.20475 (14)	0.0310 (6)
H26A	0.0021	−0.0513	0.2404	0.037*
H26B	0.1405	−0.0590	0.2304	0.037*
C27	0.5564 (3)	0.3270 (3)	0.1901 (2)	0.0569 (9)
H27A	0.5165	0.2612	0.1885	0.068*
H27B	0.5889	0.3411	0.2439	0.068*
C28	0.6540 (3)	0.3272 (3)	0.1384 (2)	0.0693 (11)
H28A	0.7291	0.3518	0.1662	0.083*
H28B	0.6672	0.2593	0.1187	0.083*
C29	0.6129 (4)	0.3936 (5)	0.0761 (3)	0.108 (2)
H29A	0.6649	0.4531	0.0769	0.129*
H29B	0.6151	0.3593	0.0260	0.129*
C30	0.4928 (4)	0.4234 (4)	0.0856 (2)	0.0745 (12)
H30A	0.4819	0.4955	0.0744	0.089*
H30B	0.4356	0.3855	0.0499	0.089*
P1	−0.11330 (5)	−0.11024 (4)	−0.09633 (3)	0.02144 (15)
P2	0.02695 (5)	−0.11315 (4)	0.11497 (3)	0.02242 (15)
Mo	0.0000	0.0000	0.0000	0.01831 (10)
O	0.4741 (2)	0.4033 (2)	0.16214 (13)	0.0627 (7)
Cl	−0.17261 (5)	0.05089 (4)	0.06254 (3)	0.02631 (15)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.0237 (11)	0.0177 (11)	0.0342 (13)	−0.0022 (9)	0.0012 (10)	−0.0084 (10)
C2	0.0322 (13)	0.0280 (13)	0.0332 (13)	0.0002 (11)	−0.0024 (11)	−0.0040 (11)
C3	0.0307 (14)	0.0390 (16)	0.0536 (18)	0.0033 (12)	−0.0111 (13)	−0.0068 (14)
C4	0.0228 (13)	0.0403 (16)	0.067 (2)	0.0010 (11)	0.0009 (13)	−0.0145 (15)
C5	0.0321 (14)	0.0354 (15)	0.0509 (17)	−0.0061 (11)	0.0132 (12)	−0.0138 (13)
C6	0.0284 (13)	0.0265 (13)	0.0361 (14)	−0.0036 (10)	0.0036 (11)	−0.0064 (11)
C7	0.0317 (12)	0.0195 (12)	0.0252 (12)	0.0014 (10)	0.0027 (10)	−0.0013 (9)
C8	0.0344 (14)	0.0232 (13)	0.0423 (15)	−0.0004 (11)	−0.0014 (11)	−0.0047 (11)
C9	0.0460 (16)	0.0234 (14)	0.0563 (18)	−0.0063 (12)	0.0042 (14)	−0.0059 (12)
C10	0.0567 (18)	0.0181 (13)	0.0458 (16)	0.0049 (12)	0.0105 (13)	0.0017 (12)
C11	0.0389 (15)	0.0295 (14)	0.0525 (17)	0.0116 (12)	0.0046 (13)	0.0028 (13)
C12	0.0324 (13)	0.0238 (13)	0.0441 (15)	0.0014 (11)	0.0033 (11)	−0.0019 (11)
C13	0.0277 (12)	0.0254 (12)	0.0246 (12)	0.0007 (10)	0.0033 (9)	−0.0032 (10)
C14	0.0289 (12)	0.0217 (12)	0.0322 (13)	−0.0007 (10)	−0.0032 (10)	0.0023 (10)
C15	0.0374 (14)	0.0411 (16)	0.0398 (15)	0.0092 (12)	0.0039 (12)	0.0103 (13)
C16	0.0390 (16)	0.058 (2)	0.0500 (18)	0.0185 (14)	0.0037 (14)	0.0065 (15)
C17	0.0408 (16)	0.0334 (15)	0.0598 (19)	0.0128 (13)	−0.0107 (14)	0.0026 (14)
C18	0.0457 (17)	0.0247 (14)	0.0584 (19)	−0.0030 (12)	−0.0112 (14)	0.0162 (13)
C19	0.0349 (14)	0.0302 (14)	0.0489 (16)	−0.0023 (11)	0.0011 (12)	0.0158 (12)
C20	0.0258 (12)	0.0241 (12)	0.0274 (12)	−0.0006 (10)	0.0004 (10)	0.0088 (10)
C21	0.0382 (15)	0.0376 (15)	0.0401 (15)	0.0009 (12)	0.0114 (12)	0.0069 (12)
C22	0.0347 (15)	0.064 (2)	0.058 (2)	0.0063 (15)	0.0178 (14)	0.0200 (17)
C23	0.0309 (15)	0.058 (2)	0.061 (2)	−0.0148 (14)	−0.0021 (14)	0.0254 (17)
C24	0.0397 (15)	0.0377 (16)	0.0499 (17)	−0.0141 (13)	−0.0069 (13)	0.0107 (14)
C25	0.0328 (13)	0.0272 (13)	0.0338 (13)	−0.0027 (10)	0.0001 (11)	0.0064 (11)
C26	0.0421 (14)	0.0270 (13)	0.0233 (12)	−0.0049 (11)	0.0007 (11)	0.0024 (10)
C27	0.064 (2)	0.052 (2)	0.055 (2)	0.0090 (16)	0.0099 (17)	0.0110 (16)
C28	0.054 (2)	0.077 (3)	0.079 (3)	0.0112 (19)	0.0151 (19)	0.019 (2)
C29	0.096 (4)	0.138 (5)	0.097 (4)	0.046 (3)	0.048 (3)	0.057 (4)
C30	0.078 (3)	0.091 (3)	0.055 (2)	0.022 (2)	0.0090 (19)	0.018 (2)
P1	0.0224 (3)	0.0172 (3)	0.0245 (3)	0.0002 (2)	0.0016 (2)	−0.0027 (2)
P2	0.0245 (3)	0.0185 (3)	0.0242 (3)	−0.0010 (2)	0.0024 (2)	0.0022 (2)
Mo	0.01917 (16)	0.01492 (16)	0.02092 (16)	−0.00038 (10)	0.00245 (11)	−0.00078 (10)
O	0.0626 (15)	0.0755 (17)	0.0507 (14)	0.0217 (13)	0.0086 (11)	0.0092 (12)
Cl	0.0232 (3)	0.0258 (3)	0.0307 (3)	0.0019 (2)	0.0063 (2)	−0.0016 (2)

Geometric parameters (Å, º)

C1—C6	1.390 (4)	C18—C19	1.389 (4)
C1—C2	1.397 (4)	C20—C21	1.387 (4)
C1—P1	1.825 (2)	C20—C25	1.400 (4)
C2—C3	1.393 (4)	C20—P2	1.837 (2)
C3—C4	1.372 (4)	C21—C22	1.390 (4)
C4—C5	1.386 (4)	C22—C23	1.385 (5)
C5—C6	1.389 (4)	C23—C24	1.375 (5)
C7—C8	1.391 (3)	C24—C25	1.389 (4)
C7—C12	1.392 (4)	C26—C13^i	1.534 (3)
C7—P1	1.838 (2)	C26—P2	1.876 (3)
C8—C9	1.393 (4)	C27—O	1.435 (4)
C9—C10	1.379 (4)	C27—C28	1.499 (5)
C10—C11	1.369 (4)	C28—C29	1.444 (6)
C11—C12	1.393 (4)	C29—C30	1.443 (6)
C13—C26^i	1.534 (3)	C30—O	1.402 (4)
C13—P1	1.847 (2)	P1—Mo	2.4896 (6)
C14—C15	1.379 (4)	P2—Mo	2.5082 (6)
C14—C19	1.398 (4)	Mo—Cl	2.4346 (5)
C14—P2	1.842 (2)	Mo—Cl^i	2.4346 (5)
C15—C16	1.400 (4)	Mo—P1^i	2.4896 (6)
C16—C17	1.381 (4)	Mo—P2^i	2.5082 (6)
C17—C18	1.373 (5)
C6—C1—C2	118.8 (2)	C13^i—C26—P2	114.33 (16)
C6—C1—P1	118.28 (19)	O—C27—C28	106.7 (3)
C2—C1—P1	122.83 (19)	C29—C28—C27	104.8 (3)
C3—C2—C1	120.2 (3)	C30—C29—C28	108.5 (4)
C4—C3—C2	120.4 (3)	O—C30—C29	107.2 (3)
C3—C4—C5	119.9 (3)	C1—P1—C7	103.25 (11)
C4—C5—C6	120.1 (3)	C1—P1—C13	106.06 (11)
C5—C6—C1	120.5 (3)	C7—P1—C13	100.53 (11)
C8—C7—C12	118.8 (2)	C1—P1—Mo	115.23 (8)
C8—C7—P1	122.40 (19)	C7—P1—Mo	123.49 (8)
C12—C7—P1	118.80 (19)	C13—P1—Mo	106.24 (8)
C7—C8—C9	120.2 (2)	C20—P2—C14	101.18 (11)
C10—C9—C8	120.4 (3)	C20—P2—C26	104.80 (11)
C11—C10—C9	119.8 (2)	C14—P2—C26	98.54 (12)
C10—C11—C12	120.5 (3)	C20—P2—Mo	115.05 (7)
C7—C12—C11	120.3 (2)	C14—P2—Mo	124.87 (8)
C26^i—C13—P1	113.79 (16)	C26—P2—Mo	109.73 (8)
C15—C14—C19	118.6 (2)	Cl—Mo—Cl^i	180.00 (2)
C15—C14—P2	120.9 (2)	Cl—Mo—P1	95.093 (19)
C19—C14—P2	120.2 (2)	Cl^i—Mo—P1	84.907 (19)
C14—C15—C16	120.4 (3)	Cl—Mo—P1^i	84.907 (19)
C17—C16—C15	120.2 (3)	Cl^i—Mo—P1^i	95.093 (19)
C18—C17—C16	120.0 (3)	P1—Mo—P1^i	180.00 (3)
C17—C18—C19	119.8 (3)	Cl—Mo—P2	81.136 (19)
C18—C19—C14	121.0 (3)	Cl^i—Mo—P2	98.864 (19)
C21—C20—C25	118.4 (2)	P1—Mo—P2	101.048 (19)
C21—C20—P2	123.2 (2)	P1^i—Mo—P2	78.952 (19)
C25—C20—P2	118.23 (19)	Cl—Mo—P2^i	98.864 (19)
C20—C21—C22	120.7 (3)	Cl^i—Mo—P2^i	81.136 (19)
C23—C22—C21	120.2 (3)	P1—Mo—P2^i	78.952 (19)
C24—C23—C22	120.0 (3)	P1^i—Mo—P2^i	101.048 (19)
C23—C24—C25	120.0 (3)	P2—Mo—P2^i	180.00 (3)
C24—C25—C20	120.8 (3)	C30—O—C27	107.6 (3)
C6—C1—C2—C3	0.8 (4)	C26^i—C13—P1—Mo	−45.57 (18)
P1—C1—C2—C3	−175.6 (2)	C21—C20—P2—C14	134.9 (2)
C1—C2—C3—C4	−0.7 (4)	C25—C20—P2—C14	−50.3 (2)
C2—C3—C4—C5	−0.8 (4)	C21—C20—P2—C26	32.8 (2)
C3—C4—C5—C6	2.2 (4)	C25—C20—P2—C26	−152.34 (19)
C4—C5—C6—C1	−2.1 (4)	C21—C20—P2—Mo	−87.8 (2)
C2—C1—C6—C5	0.6 (4)	C25—C20—P2—Mo	87.07 (19)
P1—C1—C6—C5	177.2 (2)	C15—C14—P2—C20	149.3 (2)
C12—C7—C8—C9	0.5 (4)	C19—C14—P2—C20	−37.5 (2)
P1—C7—C8—C9	−178.1 (2)	C15—C14—P2—C26	−103.7 (2)
C7—C8—C9—C10	−0.2 (4)	C19—C14—P2—C26	69.6 (2)
C8—C9—C10—C11	−0.4 (5)	C15—C14—P2—Mo	17.7 (3)
C9—C10—C11—C12	0.8 (5)	C19—C14—P2—Mo	−169.04 (18)
C8—C7—C12—C11	−0.2 (4)	C13^i—C26—P2—C20	−123.38 (18)
P1—C7—C12—C11	178.5 (2)	C13^i—C26—P2—C14	132.59 (19)
C10—C11—C12—C7	−0.5 (4)	C13^i—C26—P2—Mo	0.7 (2)
C19—C14—C15—C16	1.2 (4)	C1—P1—Mo—Cl	13.75 (9)
P2—C14—C15—C16	174.6 (2)	C7—P1—Mo—Cl	−114.24 (10)
C14—C15—C16—C17	0.1 (5)	C13—P1—Mo—Cl	130.87 (8)
C15—C16—C17—C18	−1.5 (5)	C1—P1—Mo—Cl^i	−166.25 (9)
C16—C17—C18—C19	1.4 (5)	C7—P1—Mo—Cl^i	65.76 (10)
C17—C18—C19—C14	−0.1 (4)	C13—P1—Mo—Cl^i	−49.13 (8)
C15—C14—C19—C18	−1.2 (4)	C1—P1—Mo—P1^i	−87.11 (9)
P2—C14—C19—C18	−174.7 (2)	C7—P1—Mo—P1^i	144.89 (10)
C25—C20—C21—C22	−0.3 (4)	C13—P1—Mo—P1^i	30.00 (8)
P2—C20—C21—C22	174.5 (2)	C1—P1—Mo—P2	95.69 (9)
C20—C21—C22—C23	0.8 (4)	C7—P1—Mo—P2	−32.30 (10)
C21—C22—C23—C24	−0.8 (5)	C13—P1—Mo—P2	−147.19 (8)
C22—C23—C24—C25	0.4 (4)	C1—P1—Mo—P2^i	−84.31 (9)
C23—C24—C25—C20	0.0 (4)	C7—P1—Mo—P2^i	147.70 (10)
C21—C20—C25—C24	−0.1 (4)	C13—P1—Mo—P2^i	32.81 (8)
P2—C20—C25—C24	−175.1 (2)	C20—P2—Mo—Cl	50.85 (9)
O—C27—C28—C29	−8.6 (5)	C14—P2—Mo—Cl	176.75 (10)
C27—C28—C29—C30	−5.5 (6)	C26—P2—Mo—Cl	−67.00 (9)
C28—C29—C30—O	18.1 (7)	C20—P2—Mo—Cl^i	−129.15 (9)
C6—C1—P1—C7	72.9 (2)	C14—P2—Mo—Cl^i	−3.25 (10)
C2—C1—P1—C7	−110.6 (2)	C26—P2—Mo—Cl^i	113.00 (9)
C6—C1—P1—C13	178.16 (19)	C20—P2—Mo—P1	−42.65 (9)
C2—C1—P1—C13	−5.4 (2)	C14—P2—Mo—P1	83.25 (10)
C6—C1—P1—Mo	−64.6 (2)	C26—P2—Mo—P1	−160.50 (9)
C2—C1—P1—Mo	111.85 (19)	C20—P2—Mo—P1^i	137.35 (9)
C8—C7—P1—C1	8.7 (2)	C14—P2—Mo—P1^i	−96.75 (10)
C12—C7—P1—C1	−169.8 (2)	C26—P2—Mo—P1^i	19.50 (9)
C8—C7—P1—C13	−100.7 (2)	C20—P2—Mo—P2^i	179.12 (9)
C12—C7—P1—C13	80.7 (2)	C14—P2—Mo—P2^i	−54.98 (10)
C8—C7—P1—Mo	141.62 (19)	C26—P2—Mo—P2^i	61.27 (9)
C12—C7—P1—Mo	−36.9 (2)	C29—C30—O—C27	−23.6 (5)
C26^i—C13—P1—C1	77.51 (19)	C28—C27—O—C30	20.0 (4)
C26^i—C13—P1—C7	−175.26 (18)

Symmetry code: (i) −x, −y, −z.