Bis{[1-(1H-inden-3-yl)cyclo­pent­yl]-η⁵-cyclo­penta­dien­yl}hexa­carbonyl­dimolydenum(I)(Mo—Mo)

The title centrosymmetric complex, [Mo₂(C₁₉H₁₉)(CO)₆] or [{(η⁵-C₅H₄)C(CH₂)₄(C₉H₇)}Mo(CO)₃]₂, is a binuclear metal carbonyl complex containing an Mo—Mo single bond [3.2405 (9) Å]. The cyclo­pentane ring adopts an envelope conformation. The dihedral angle between the indene and cyclo­penta­diene rings is 57.0 (2)°.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.007 Å
• R factor = 0.037
• wR factor = 0.079
• Data-to-parameter ratio = 15.7

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT432_ALERT_2_A Short Inter X...Y Contact  C2     ..  C3      ..       2.80 Ang.

Author Response: It may be attributed to the formation of Mo-Mo bond. We have checked the composition and the structure of the compound in detail, the identification of correlative atoms is correct.

Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.23 Ratio
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for        C16

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.691     1.000
            Tmin(prime) and Tmax expected:      0.798     0.943
            RR(prime) =      0.816
            Please check that your absorption correction is appropriate.
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       2.00 Ratio
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.81
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.94
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.43 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    -   C1      ..       6.35 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    -   C3      ..       5.34 su
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C11
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C18
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C19
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C17
PLAT432_ALERT_2_C Short Inter X...Y Contact  C3     ..  C5      ..       3.19 Ang.

Author Response: It may be attributed to the formation of Mo-Mo bond. We have checked the composition and the structure of the compound in detail, the identification of correlative atoms is correct.

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.943
            Tmax scaled      0.943 Tmin scaled      0.652

   1 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
  16 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  10 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

Bis[(1H-inden-3-ylcyclopentyl)-η⁵– cyclopentadienyl]hexacarbonyldimolydenum(I)(Mo—Mo)

Crystal data

[Mo2(C19H19)(CO)6]	F(000) = 868
Mr = 854.62	Dx = 1.556 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 2225 reflections
a = 19.038 (4) Å	θ = 2.3–23.2°
b = 7.7015 (16) Å	µ = 0.74 mm^−1
c = 13.091 (3) Å	T = 293 K
β = 108.134 (3)°	Plate, red
V = 1824.1 (7) Å^3	0.30 × 0.20 × 0.08 mm
Z = 2

Data collection

Bruker SMART CCD 1000 area-detector diffractometer	3693 independent reflections
Radiation source: fine-focus sealed tube	2385 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.056
φ and ω scans	θmax = 26.3°, θmin = 2.9°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −23→23
Tmin = 0.691, Tmax = 1.000	k = −4→9
9906 measured reflections	l = −16→14

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)] = 0.037	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.079	H-atom parameters constrained
S = 1.01	w = 1/[σ^2(Fo^2) + (0.0217P)^2 + 1.246P] where P = (Fo^2 + 2Fc^2)/3
3693 reflections	(Δ/σ)max = 0.001
235 parameters	Δρmax = 0.52 e Å^−3
0 restraints	Δρmin = −0.47 e Å^−3

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 (Ų)

	x	y	z	Uiso*/Ueq
Mo1	0.086436 (17)	0.51510 (4)	0.07024 (3)	0.02717 (11)
O1	0.15444 (17)	0.4507 (4)	0.3154 (2)	0.0543 (9)
O2	0.03945 (17)	0.1357 (4)	0.1021 (3)	0.0633 (10)
O3	−0.00227 (16)	0.7696 (4)	0.1704 (2)	0.0517 (8)
C1	0.1300 (2)	0.4755 (5)	0.2249 (3)	0.0368 (9)
C2	0.0527 (2)	0.2772 (6)	0.0874 (3)	0.0388 (10)
C3	0.0268 (2)	0.6732 (5)	0.1301 (3)	0.0360 (10)
C4	0.1355 (2)	0.7261 (6)	−0.0184 (3)	0.0401 (11)
H4	0.1197	0.8478	−0.0287	0.048*
C5	0.1079 (2)	0.5912 (6)	−0.0927 (3)	0.0463 (12)
H5	0.0701	0.6031	−0.1629	0.056*
C6	0.1477 (2)	0.4406 (6)	−0.0522 (4)	0.0462 (12)
H6	0.1434	0.3294	−0.0902	0.055*
C7	0.2006 (2)	0.4812 (5)	0.0463 (3)	0.0390 (10)
H7	0.2396	0.4028	0.0880	0.047*
C8	0.1949 (2)	0.6617 (5)	0.0687 (3)	0.0317 (9)
C9	0.2478 (2)	0.7675 (5)	0.1575 (3)	0.0335 (10)
C10	0.2854 (2)	0.9137 (5)	0.1099 (4)	0.0452 (11)
H10A	0.3276	0.8686	0.0917	0.054*
H10B	0.2507	0.9637	0.0460	0.054*
C11	0.3094 (3)	1.0463 (6)	0.1981 (5)	0.0851 (19)
H11A	0.3591	1.0213	0.2439	0.102*
H11B	0.3089	1.1614	0.1678	0.102*
C12	0.2567 (3)	1.0376 (6)	0.2611 (4)	0.0673 (15)
H12A	0.2266	1.1418	0.2500	0.081*
H12B	0.2832	1.0268	0.3372	0.081*
C13	0.2082 (2)	0.8782 (6)	0.2212 (4)	0.0519 (13)
H13A	0.1597	0.9129	0.1753	0.062*
H13B	0.2025	0.8128	0.2814	0.062*
C14	0.3072 (2)	0.6520 (5)	0.2287 (4)	0.0422 (11)
C15	0.3192 (3)	0.6177 (7)	0.3326 (4)	0.0659 (15)
H15	0.2911	0.6631	0.3730	0.079*
C16	0.3834 (3)	0.4975 (8)	0.3764 (5)	0.102 (2)
H16A	0.4219	0.5516	0.4344	0.123*
H16B	0.3681	0.3903	0.4021	0.123*
C17	0.4088 (3)	0.4660 (6)	0.2810 (5)	0.0757 (18)
C18	0.4670 (4)	0.3663 (9)	0.2706 (8)	0.126 (4)
H18	0.4980	0.3062	0.3289	0.152*
C19	0.4772 (4)	0.3594 (10)	0.1714 (10)	0.134 (4)
H19	0.5165	0.2950	0.1633	0.161*
C20	0.4316 (3)	0.4440 (8)	0.0843 (7)	0.097 (2)
H20	0.4393	0.4328	0.0178	0.117*
C21	0.3743 (2)	0.5455 (6)	0.0933 (5)	0.0601 (14)
H21	0.3437	0.6046	0.0342	0.072*
C22	0.3635 (2)	0.5573 (5)	0.1932 (4)	0.0475 (12)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Mo1	0.02268 (16)	0.0320 (2)	0.02582 (17)	−0.00220 (17)	0.00608 (12)	0.00117 (18)
O1	0.066 (2)	0.061 (2)	0.0299 (18)	−0.0061 (16)	0.0064 (16)	0.0103 (15)
O2	0.062 (2)	0.035 (2)	0.083 (3)	−0.0056 (17)	0.0078 (19)	0.0156 (18)
O3	0.0454 (19)	0.059 (2)	0.052 (2)	0.0003 (16)	0.0166 (16)	−0.0229 (16)
C1	0.039 (2)	0.033 (2)	0.040 (2)	−0.003 (2)	0.0130 (19)	0.007 (2)
C2	0.035 (2)	0.037 (3)	0.040 (3)	0.002 (2)	0.004 (2)	0.001 (2)
C3	0.028 (2)	0.042 (3)	0.034 (3)	−0.0065 (19)	0.004 (2)	0.000 (2)
C4	0.033 (2)	0.047 (3)	0.042 (3)	−0.003 (2)	0.015 (2)	0.017 (2)
C5	0.031 (2)	0.082 (3)	0.026 (2)	−0.015 (2)	0.009 (2)	0.005 (2)
C6	0.032 (2)	0.066 (3)	0.043 (3)	−0.010 (2)	0.016 (2)	−0.021 (2)
C7	0.0218 (19)	0.045 (3)	0.052 (3)	0.002 (2)	0.0139 (18)	−0.008 (2)
C8	0.029 (2)	0.035 (2)	0.035 (2)	−0.0056 (18)	0.0147 (19)	−0.0008 (18)
C9	0.030 (2)	0.032 (2)	0.037 (2)	−0.0025 (18)	0.0088 (19)	−0.0001 (18)
C10	0.036 (3)	0.048 (3)	0.049 (3)	−0.013 (2)	0.008 (2)	0.005 (2)
C11	0.099 (5)	0.050 (4)	0.118 (5)	−0.026 (3)	0.051 (4)	−0.020 (3)
C12	0.071 (4)	0.051 (3)	0.085 (4)	−0.009 (3)	0.031 (3)	−0.022 (3)
C13	0.047 (3)	0.052 (3)	0.061 (3)	−0.007 (2)	0.023 (3)	−0.016 (2)
C14	0.039 (3)	0.040 (3)	0.042 (3)	−0.008 (2)	0.004 (2)	−0.002 (2)
C15	0.071 (4)	0.075 (4)	0.042 (3)	−0.021 (3)	0.004 (3)	0.007 (3)
C16	0.100 (5)	0.086 (5)	0.079 (4)	−0.032 (4)	−0.031 (4)	0.041 (4)
C17	0.046 (3)	0.040 (3)	0.108 (5)	−0.002 (3)	−0.024 (3)	0.018 (3)
C18	0.056 (5)	0.046 (4)	0.221 (11)	0.007 (3)	−0.038 (6)	0.019 (6)
C19	0.046 (4)	0.064 (5)	0.275 (14)	0.013 (3)	0.022 (8)	−0.032 (8)
C20	0.052 (4)	0.077 (5)	0.174 (8)	−0.007 (3)	0.052 (5)	−0.050 (4)
C21	0.036 (3)	0.056 (3)	0.091 (4)	−0.002 (2)	0.024 (3)	−0.020 (3)
C22	0.033 (2)	0.034 (3)	0.065 (3)	−0.0055 (19)	−0.001 (2)	−0.004 (2)

Geometric parameters (Å, º)

Mo1—C1	1.958 (4)	C10—H10B	0.97
Mo1—C2	1.977 (4)	C11—C12	1.485 (6)
Mo1—C3	1.985 (4)	C11—H11A	0.97
Mo1—C4	2.353 (4)	C11—H11B	0.97
Mo1—C5	2.367 (4)	C12—C13	1.527 (6)
Mo1—C6	2.329 (4)	C12—H12A	0.97
Mo1—C7	2.306 (4)	C12—H12B	0.97
Mo1—C8	2.359 (4)	C13—H13A	0.97
O1—C1	1.146 (4)	C13—H13B	0.97
O2—C2	1.148 (4)	C14—C15	1.333 (6)
O3—C3	1.148 (4)	C14—C22	1.485 (6)
C4—C5	1.408 (6)	C15—C16	1.497 (8)
C4—C8	1.422 (5)	C15—H15	0.93
C4—H4	0.98	C16—C17	1.493 (8)
C5—C6	1.396 (6)	C16—H16A	0.97
C5—H5	0.98	C16—H16B	0.97
C6—C7	1.403 (5)	C17—C18	1.390 (9)
C6—H6	0.98	C17—C22	1.394 (7)
C7—C8	1.431 (5)	C18—C19	1.372 (11)
C7—H7	0.98	C18—H18	0.93
C8—C9	1.517 (5)	C19—C20	1.365 (11)
C9—C14	1.511 (5)	C19—H19	0.93
C9—C13	1.543 (5)	C20—C21	1.377 (7)
C9—C10	1.564 (5)	C20—H20	0.93
C10—C11	1.501 (6)	C21—C22	1.388 (7)
C10—H10A	0.97	C21—H21	0.93
C1—Mo1—C2	77.65 (16)	C14—C9—C8	110.3 (3)
C1—Mo1—C3	78.33 (16)	C14—C9—C13	112.9 (4)
C2—Mo1—C3	106.13 (17)	C8—C9—C13	113.0 (3)
C1—Mo1—C7	90.54 (16)	C14—C9—C10	108.8 (3)
C2—Mo1—C7	105.28 (16)	C8—C9—C10	111.0 (3)
C3—Mo1—C7	143.38 (15)	C13—C9—C10	100.3 (3)
C1—Mo1—C6	122.14 (16)	C11—C10—C9	104.5 (4)
C2—Mo1—C6	95.71 (16)	C11—C10—H10A	110.9
C3—Mo1—C6	153.31 (17)	C9—C10—H10A	110.9
C7—Mo1—C6	35.24 (14)	C11—C10—H10B	110.9
C1—Mo1—C4	120.81 (15)	C9—C10—H10B	110.9
C2—Mo1—C4	152.75 (17)	H10A—C10—H10B	108.9
C3—Mo1—C4	97.73 (16)	C12—C11—C10	107.5 (4)
C7—Mo1—C4	58.36 (14)	C12—C11—H11A	110.2
C6—Mo1—C4	58.00 (15)	C10—C11—H11A	110.2
C1—Mo1—C8	89.62 (15)	C12—C11—H11B	110.2
C2—Mo1—C8	139.49 (15)	C10—C11—H11B	110.2
C3—Mo1—C8	108.65 (15)	H11A—C11—H11B	108.5
C7—Mo1—C8	35.72 (13)	C11—C12—C13	106.7 (4)
C6—Mo1—C8	58.99 (14)	C11—C12—H12A	110.4
C4—Mo1—C8	35.14 (13)	C13—C12—H12A	110.4
C1—Mo1—C5	146.51 (15)	C11—C12—H12B	110.4
C2—Mo1—C5	119.02 (17)	C13—C12—H12B	110.4
C3—Mo1—C5	118.95 (17)	H12A—C12—H12B	108.6
C7—Mo1—C5	58.06 (15)	C12—C13—C9	106.5 (3)
C6—Mo1—C5	34.59 (15)	C12—C13—H13A	110.4
C4—Mo1—C5	34.72 (14)	C9—C13—H13A	110.4
C8—Mo1—C5	58.44 (14)	C12—C13—H13B	110.4
O1—C1—Mo1	178.9 (4)	C9—C13—H13B	110.4
O2—C2—Mo1	174.1 (4)	H13A—C13—H13B	108.6
O3—C3—Mo1	174.3 (3)	C15—C14—C22	108.1 (4)
C5—C4—C8	109.2 (4)	C15—C14—C9	127.2 (4)
C5—C4—Mo1	73.2 (2)	C22—C14—C9	124.7 (4)
C8—C4—Mo1	72.7 (2)	C14—C15—C16	111.9 (5)
C5—C4—H4	125.3	C14—C15—H15	124.0
C8—C4—H4	125.3	C16—C15—H15	124.0
Mo1—C4—H4	125.3	C17—C16—C15	102.6 (4)
C6—C5—C4	108.0 (4)	C17—C16—H16A	111.2
C6—C5—Mo1	71.2 (2)	C15—C16—H16A	111.2
C4—C5—Mo1	72.1 (2)	C17—C16—H16B	111.2
C6—C5—H5	125.9	C15—C16—H16B	111.2
C4—C5—H5	125.9	H16A—C16—H16B	109.2
Mo1—C5—H5	125.9	C18—C17—C22	120.4 (7)
C5—C6—C7	108.2 (4)	C18—C17—C16	130.4 (6)
C5—C6—Mo1	74.2 (2)	C22—C17—C16	109.2 (5)
C7—C6—Mo1	71.5 (2)	C19—C18—C17	117.8 (8)
C5—C6—H6	125.7	C19—C18—H18	121.1
C7—C6—H6	125.7	C17—C18—H18	121.1
Mo1—C6—H6	125.7	C20—C19—C18	122.1 (8)
C6—C7—C8	109.1 (4)	C20—C19—H19	119.0
C6—C7—Mo1	73.3 (2)	C18—C19—H19	119.0
C8—C7—Mo1	74.2 (2)	C19—C20—C21	121.0 (8)
C6—C7—H7	125.2	C19—C20—H20	119.5
C8—C7—H7	125.2	C21—C20—H20	119.5
Mo1—C7—H7	125.2	C20—C21—C22	118.1 (6)
C4—C8—C7	105.5 (4)	C20—C21—H21	120.9
C4—C8—C9	126.8 (4)	C22—C21—H21	120.9
C7—C8—C9	127.2 (4)	C21—C22—C17	120.6 (5)
C4—C8—Mo1	72.2 (2)	C21—C22—C14	131.3 (4)
C7—C8—Mo1	70.1 (2)	C17—C22—C14	108.1 (5)
C9—C8—Mo1	128.7 (3)
C1—Mo1—C4—C5	147.6 (3)	Mo1—C7—C8—C9	124.0 (4)
C2—Mo1—C4—C5	19.7 (5)	C6—C7—C8—Mo1	65.5 (3)
C3—Mo1—C4—C5	−131.4 (3)	C1—Mo1—C8—C4	−154.1 (3)
C7—Mo1—C4—C5	78.4 (3)	C2—Mo1—C8—C4	135.6 (3)
C6—Mo1—C4—C5	36.6 (2)	C3—Mo1—C8—C4	−76.5 (3)
C8—Mo1—C4—C5	117.0 (4)	C7—Mo1—C8—C4	114.5 (4)
C1—Mo1—C4—C8	30.6 (3)	C6—Mo1—C8—C4	77.3 (3)
C2—Mo1—C4—C8	−97.3 (4)	C5—Mo1—C8—C4	36.6 (3)
C3—Mo1—C4—C8	111.6 (3)	C1—Mo1—C8—C7	91.4 (3)
C7—Mo1—C4—C8	−38.6 (2)	C2—Mo1—C8—C7	21.1 (4)
C6—Mo1—C4—C8	−80.3 (3)	C3—Mo1—C8—C7	169.0 (2)
C5—Mo1—C4—C8	−117.0 (4)	C6—Mo1—C8—C7	−37.2 (2)
C8—C4—C5—C6	1.8 (5)	C4—Mo1—C8—C7	−114.5 (4)
Mo1—C4—C5—C6	−62.5 (3)	C5—Mo1—C8—C7	−77.9 (3)
C8—C4—C5—Mo1	64.3 (3)	C1—Mo1—C8—C9	−30.8 (3)
C1—Mo1—C5—C6	60.4 (4)	C2—Mo1—C8—C9	−101.1 (4)
C2—Mo1—C5—C6	−52.8 (3)	C3—Mo1—C8—C9	46.8 (4)
C3—Mo1—C5—C6	175.1 (2)	C7—Mo1—C8—C9	−122.2 (4)
C7—Mo1—C5—C6	37.7 (2)	C6—Mo1—C8—C9	−159.4 (4)
C4—Mo1—C5—C6	117.0 (4)	C4—Mo1—C8—C9	123.3 (5)
C8—Mo1—C5—C6	80.0 (3)	C5—Mo1—C8—C9	159.9 (4)
C1—Mo1—C5—C4	−56.6 (4)	C4—C8—C9—C14	−174.9 (4)
C2—Mo1—C5—C4	−169.8 (2)	C7—C8—C9—C14	−4.6 (5)
C3—Mo1—C5—C4	58.1 (3)	Mo1—C8—C9—C14	88.8 (4)
C7—Mo1—C5—C4	−79.3 (3)	C4—C8—C9—C13	57.6 (5)
C6—Mo1—C5—C4	−117.0 (4)	C7—C8—C9—C13	−132.1 (4)
C8—Mo1—C5—C4	−37.0 (2)	Mo1—C8—C9—C13	−38.7 (5)
C4—C5—C6—C7	−0.8 (5)	C4—C8—C9—C10	−54.2 (5)
Mo1—C5—C6—C7	−63.9 (3)	C7—C8—C9—C10	116.1 (4)
C4—C5—C6—Mo1	63.1 (3)	Mo1—C8—C9—C10	−150.5 (3)
C1—Mo1—C6—C5	−145.5 (2)	C14—C9—C10—C11	−80.9 (4)
C2—Mo1—C6—C5	135.5 (3)	C8—C9—C10—C11	157.5 (4)
C3—Mo1—C6—C5	−9.6 (5)	C13—C9—C10—C11	37.8 (5)
C7—Mo1—C6—C5	−115.9 (4)	C9—C10—C11—C12	−29.9 (6)
C4—Mo1—C6—C5	−36.8 (2)	C10—C11—C12—C13	9.1 (6)
C8—Mo1—C6—C5	−78.2 (3)	C11—C12—C13—C9	15.6 (6)
C1—Mo1—C6—C7	−29.5 (3)	C14—C9—C13—C12	83.2 (5)
C2—Mo1—C6—C7	−108.5 (3)	C8—C9—C13—C12	−150.7 (4)
C3—Mo1—C6—C7	106.3 (4)	C10—C9—C13—C12	−32.5 (5)
C4—Mo1—C6—C7	79.2 (3)	C8—C9—C14—C15	−116.0 (5)
C8—Mo1—C6—C7	37.7 (2)	C13—C9—C14—C15	11.6 (6)
C5—Mo1—C6—C7	115.9 (4)	C10—C9—C14—C15	122.0 (5)
C5—C6—C7—C8	−0.5 (5)	C8—C9—C14—C22	64.6 (5)
Mo1—C6—C7—C8	−66.1 (3)	C13—C9—C14—C22	−167.8 (4)
C5—C6—C7—Mo1	65.6 (3)	C10—C9—C14—C22	−57.4 (5)
C1—Mo1—C7—C6	155.3 (3)	C22—C14—C15—C16	−0.4 (6)
C2—Mo1—C7—C6	78.0 (3)	C9—C14—C15—C16	−179.8 (4)
C3—Mo1—C7—C6	−133.7 (3)	C14—C15—C16—C17	0.5 (6)
C4—Mo1—C7—C6	−78.1 (3)	C15—C16—C17—C18	179.3 (6)
C8—Mo1—C7—C6	−116.1 (4)	C15—C16—C17—C22	−0.5 (6)
C5—Mo1—C7—C6	−37.0 (3)	C22—C17—C18—C19	−0.9 (10)
C1—Mo1—C7—C8	−88.6 (2)	C16—C17—C18—C19	179.4 (7)
C2—Mo1—C7—C8	−165.9 (2)	C17—C18—C19—C20	−1.2 (13)
C3—Mo1—C7—C8	−17.7 (4)	C18—C19—C20—C21	2.2 (12)
C6—Mo1—C7—C8	116.1 (4)	C19—C20—C21—C22	−1.0 (8)
C4—Mo1—C7—C8	38.0 (2)	C20—C21—C22—C17	−1.1 (7)
C5—Mo1—C7—C8	79.1 (3)	C20—C21—C22—C14	−179.1 (4)
C5—C4—C8—C7	−2.0 (4)	C18—C17—C22—C21	2.1 (7)
Mo1—C4—C8—C7	62.6 (2)	C16—C17—C22—C21	−178.1 (4)
C5—C4—C8—C9	170.0 (4)	C18—C17—C22—C14	−179.5 (5)
Mo1—C4—C8—C9	−125.4 (4)	C16—C17—C22—C14	0.3 (5)
C5—C4—C8—Mo1	−64.6 (3)	C15—C14—C22—C21	178.3 (5)
C6—C7—C8—C4	1.5 (4)	C9—C14—C22—C21	−2.3 (7)
Mo1—C7—C8—C4	−64.0 (3)	C15—C14—C22—C17	0.1 (5)
C6—C7—C8—C9	−170.5 (4)	C9—C14—C22—C17	179.5 (4)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C5—H5···O3^i	0.98	2.40	3.334 (5)	160
C6—H6···O1^ii	0.98	2.53	3.499 (6)	171

Symmetry codes: (i) x, −y+3/2, z−1/2; (ii) x, −y+1/2, z−1/2.