Di-μ-phenyl­methane­thiol­atobis­[di­carbonyl(η⁵-cyclo­penta­dienyl)­molydenum(II)]

The reaction of bis­[cyclo­penta­dienyl­tri­carbonyl­molyb­den­um(I)] with di­benzyl tri­sulfide affords the dinuclear title compound, [Mo^II₂(C₅H₅)₂(C₇H₇S)₂(CO)₄], as one of the products. The two benzyl­thiol­ate anions function as bridges to the Mo atoms. The geometry of the Mo atom is described as pseudo-pentagonal bipyramidal if the cyclo­penta­dienyl ring is assumed to occupy three sites.

Key indicators

• Single-crystal X-ray study
• T = 163 K
• Mean [sigma](C-C) = 0.004 Å
• R factor = 0.025
• wR factor = 0.050
• Data-to-parameter ratio = 17.0

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT732_ALERT_1_B Angle   Calc    69.67(2), Rep   69.70(10) ......       5.00 su-Rat
              S1   -MO1  -S2      1.555   1.555   1.555
PLAT732_ALERT_1_B Angle   Calc    69.59(2), Rep   69.60(10) ......       5.00 su-Rat
              S1   -MO2  -S2      1.555   1.555   1.555

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.57 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O1     -   C25     ..       6.30 su
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O3     -   C27     ..       5.24 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    -   S1      ..       6.53 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    -   S2      ..       6.78 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    -   C25     ..       9.26 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo2    -   S1      ..       6.09 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo2    -   S2      ..       7.19 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo2    -   C27     ..       7.77 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo2    -   C28     ..       7.19 su
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         C6
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        Mo2
PLAT702_ALERT_1_C Angle   Calc    69.67(2), Rep   69.70(10), Dev..       1.50 Sigma
              S1   -MO1  -S2      1.555   1.555   1.555

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

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

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Computing details

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Di-µ-benzylthiolato-κ⁴S:S-bis[dicarbonyl(η⁵– cyclopentadienyl)molydenum(II)]

Crystal data

[Mo2(C5H5)2(C7H7S)2(CO)4]	F(000) = 1360
Mr = 680.47	Dx = 1.679 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 5707 reflections
a = 8.6302 (6) Å	θ = 2.6–26.4°
b = 24.801 (2) Å	µ = 1.12 mm^−1
c = 13.2751 (9) Å	T = 163 K
β = 108.702 (1)°	Plate, red
V = 2691.3 (3) Å^3	0.33 × 0.14 × 0.04 mm
Z = 4

Data collection

Siemens P4/CCD area-detector diffractometer	5537 independent reflections
Radiation source: fine-focus sealed tube	4169 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.048
φ and ω scans	θmax = 26.5°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −10→10
Tmin = 0.709, Tmax = 0.957	k = −31→31
34532 measured reflections	l = −15→16

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)] = 0.025	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.050	H-atom parameters constrained
S = 0.90	w = 1/[σ^2(Fo^2) + (0.0261P)^2] where P = (Fo^2 + 2Fc^2)/3
5537 reflections	(Δ/σ)max = 0.001
325 parameters	Δρmax = 0.39 e Å^−3
0 restraints	Δρmin = −0.34 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Mo1	0.29610 (3)	0.653796 (8)	0.614860 (16)	0.02267 (6)
Mo2	0.60538 (3)	0.556416 (9)	0.798164 (17)	0.02486 (6)
S1	0.60119 (7)	0.64030 (2)	0.68995 (5)	0.02246 (14)
S2	0.36359 (7)	0.55501 (2)	0.63051 (5)	0.02514 (14)
O1	0.0432 (3)	0.62295 (8)	0.72753 (19)	0.0573 (6)
O2	0.3442 (3)	0.72399 (8)	0.81641 (16)	0.0521 (6)
O3	0.3437 (3)	0.54009 (9)	0.91089 (16)	0.0551 (6)
O4	0.6678 (3)	0.63693 (9)	0.98623 (16)	0.0626 (7)
C1	0.3521 (3)	0.70194 (11)	0.47452 (19)	0.0365 (7)
H1	0.4577	0.7153	0.4804	0.044*
C2	0.2316 (4)	0.72931 (11)	0.5043 (2)	0.0445 (8)
H2	0.2416	0.7643	0.5347	0.053*
C3	0.0933 (4)	0.69585 (13)	0.4813 (2)	0.0451 (8)
H3	−0.0073	0.7045	0.4924	0.054*
C4	0.1297 (3)	0.64758 (12)	0.4389 (2)	0.0384 (7)
H4	0.0588	0.6175	0.4169	0.046*
C5	0.2898 (3)	0.65171 (11)	0.43490 (19)	0.0361 (7)
H5	0.3462	0.6248	0.4094	0.043*
C6	0.6842 (4)	0.46650 (12)	0.8129 (4)	0.0704 (12)
H6	0.6103	0.4399	0.8217	0.084*
C7	0.7019 (4)	0.48279 (13)	0.7161 (3)	0.0570 (10)
H7	0.6426	0.4689	0.6480	0.068*
C8	0.8205 (3)	0.52269 (11)	0.7367 (2)	0.0392 (7)
H8	0.8565	0.5407	0.6851	0.047*
C9	0.8782 (3)	0.53184 (12)	0.8465 (2)	0.0386 (7)
H9	0.9591	0.5575	0.8822	0.046*
C10	0.7955 (4)	0.49646 (13)	0.8952 (3)	0.0555 (9)
H10	0.8116	0.4934	0.9692	0.067*
C11	0.7099 (3)	0.69814 (9)	0.76837 (18)	0.0279 (6)
H11a	0.6575	0.7081	0.8220	0.033*
H11b	0.8247	0.6879	0.8064	0.033*
C12	0.7070 (3)	0.74575 (10)	0.69760 (18)	0.0282 (6)
C13	0.6021 (3)	0.78905 (11)	0.6911 (2)	0.0371 (7)
H13	0.5326	0.7892	0.7339	0.045*
C14	0.5966 (4)	0.83180 (11)	0.6238 (2)	0.0453 (8)
H14	0.5238	0.8610	0.6205	0.054*
C15	0.6969 (4)	0.83222 (12)	0.5614 (2)	0.0515 (9)
H15	0.6923	0.8614	0.5141	0.062*
C16	0.8034 (4)	0.79043 (12)	0.5677 (2)	0.0550 (9)
H16	0.8735	0.7909	0.5253	0.066*
C17	0.8094 (4)	0.74749 (11)	0.6356 (2)	0.0423 (7)
H17	0.8845	0.7189	0.6398	0.051*
C18	0.1934 (3)	0.51386 (10)	0.6437 (2)	0.0306 (6)
H18a	0.1681	0.5249	0.7084	0.037*
H18b	0.0947	0.5201	0.5815	0.037*
C19	0.2361 (3)	0.45491 (10)	0.65082 (19)	0.0272 (6)
C20	0.2636 (3)	0.42834 (11)	0.5657 (2)	0.0331 (6)
H20	0.2528	0.4477	0.5021	0.040*
C21	0.3060 (3)	0.37472 (11)	0.5717 (2)	0.0387 (7)
H21	0.3231	0.3573	0.5125	0.046*
C22	0.3235 (3)	0.34635 (11)	0.6642 (2)	0.0415 (7)
H22	0.3546	0.3094	0.6690	0.050*
C23	0.2962 (4)	0.37148 (12)	0.7492 (2)	0.0420 (7)
H23	0.3073	0.3518	0.8125	0.050*
C24	0.2523 (3)	0.42537 (11)	0.7428 (2)	0.0360 (7)
H24	0.2331	0.4424	0.8019	0.043*
C25	0.1369 (3)	0.63265 (11)	0.6838 (2)	0.0372 (7)
C26	0.3296 (3)	0.69808 (11)	0.7412 (2)	0.0330 (6)
C27	0.4400 (3)	0.54575 (11)	0.8671 (2)	0.0361 (7)
C28	0.6456 (4)	0.60847 (12)	0.9148 (2)	0.0402 (7)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Mo1	0.02264 (12)	0.02123 (11)	0.02306 (11)	0.00238 (9)	0.00579 (9)	0.00280 (9)
Mo2	0.02155 (12)	0.02490 (12)	0.02544 (12)	−0.00105 (9)	0.00379 (9)	0.00725 (9)
S1	0.0237 (3)	0.0217 (3)	0.0208 (3)	−0.0014 (2)	0.0055 (3)	0.0011 (2)
S2	0.0236 (3)	0.0219 (3)	0.0275 (3)	−0.0008 (3)	0.0047 (3)	0.0022 (3)
O1	0.0517 (14)	0.0479 (13)	0.0917 (18)	0.0076 (11)	0.0501 (13)	0.0147 (12)
O2	0.0639 (15)	0.0526 (14)	0.0475 (13)	−0.0031 (11)	0.0287 (11)	−0.0181 (11)
O3	0.0545 (14)	0.0762 (16)	0.0451 (13)	−0.0126 (12)	0.0303 (11)	0.0025 (11)
O4	0.0989 (19)	0.0587 (15)	0.0290 (11)	−0.0296 (13)	0.0187 (12)	−0.0094 (11)
C1	0.0395 (17)	0.0408 (17)	0.0254 (14)	−0.0027 (14)	0.0052 (13)	0.0136 (13)
C2	0.072 (2)	0.0274 (15)	0.0281 (15)	0.0135 (16)	0.0071 (15)	0.0100 (12)
C3	0.0358 (17)	0.065 (2)	0.0327 (16)	0.0228 (16)	0.0087 (14)	0.0208 (15)
C4	0.0346 (17)	0.0423 (18)	0.0296 (15)	−0.0041 (14)	−0.0016 (12)	0.0056 (13)
C5	0.0461 (18)	0.0389 (16)	0.0219 (13)	0.0105 (14)	0.0089 (12)	0.0041 (12)
C6	0.0304 (18)	0.0279 (17)	0.152 (4)	0.0090 (15)	0.029 (2)	0.030 (2)
C7	0.0358 (18)	0.0336 (18)	0.090 (3)	0.0120 (15)	0.0040 (18)	−0.0127 (18)
C8	0.0340 (16)	0.0371 (17)	0.0466 (18)	0.0131 (13)	0.0130 (14)	0.0072 (14)
C9	0.0224 (14)	0.0475 (18)	0.0399 (17)	0.0033 (13)	0.0018 (13)	0.0127 (14)
C10	0.0334 (18)	0.069 (2)	0.064 (2)	0.0208 (17)	0.0160 (17)	0.0450 (19)
C11	0.0297 (15)	0.0263 (14)	0.0254 (13)	−0.0069 (11)	0.0057 (11)	−0.0029 (11)
C12	0.0342 (15)	0.0244 (14)	0.0233 (13)	−0.0092 (12)	0.0056 (11)	−0.0051 (11)
C13	0.0426 (17)	0.0317 (16)	0.0400 (16)	−0.0043 (13)	0.0174 (14)	−0.0056 (13)
C14	0.052 (2)	0.0284 (16)	0.054 (2)	0.0037 (14)	0.0140 (16)	0.0029 (14)
C15	0.077 (2)	0.0271 (17)	0.050 (2)	−0.0043 (16)	0.0200 (18)	0.0092 (14)
C16	0.088 (3)	0.0383 (19)	0.058 (2)	−0.0051 (17)	0.050 (2)	0.0030 (16)
C17	0.059 (2)	0.0259 (15)	0.0529 (19)	−0.0007 (14)	0.0325 (16)	0.0003 (13)
C18	0.0229 (14)	0.0299 (15)	0.0368 (15)	−0.0046 (11)	0.0063 (12)	0.0004 (12)
C19	0.0218 (13)	0.0287 (15)	0.0289 (14)	−0.0094 (11)	0.0048 (11)	−0.0013 (11)
C20	0.0348 (16)	0.0372 (16)	0.0269 (14)	−0.0101 (12)	0.0093 (12)	0.0016 (12)
C21	0.0454 (18)	0.0342 (17)	0.0418 (17)	−0.0081 (13)	0.0215 (14)	−0.0103 (13)
C22	0.0430 (18)	0.0285 (15)	0.0527 (19)	−0.0011 (13)	0.0149 (15)	0.0020 (14)
C23	0.053 (2)	0.0368 (17)	0.0355 (17)	−0.0053 (14)	0.0135 (14)	0.0094 (13)
C24	0.0421 (17)	0.0380 (16)	0.0297 (15)	−0.0095 (13)	0.0139 (13)	−0.0038 (12)
C25	0.0359 (17)	0.0277 (15)	0.0485 (18)	0.0083 (13)	0.0142 (14)	0.0052 (13)
C26	0.0317 (16)	0.0336 (16)	0.0355 (16)	−0.0012 (12)	0.0133 (13)	−0.0024 (13)
C27	0.0381 (16)	0.0392 (17)	0.0279 (14)	−0.0065 (13)	0.0061 (13)	0.0025 (12)
C28	0.0500 (19)	0.0402 (17)	0.0273 (15)	−0.0111 (14)	0.0078 (14)	0.0109 (13)

Geometric parameters (Å, º)

Mo1—C1	2.389 (2)	C6—H6	0.9500
Mo1—C2	2.334 (3)	C7—C8	1.387 (4)
Mo1—C3	2.304 (3)	C7—H7	0.9500
Mo1—C4	2.321 (2)	C8—C9	1.400 (4)
Mo1—C5	2.373 (2)	C8—H8	0.9500
Mo1—C25	1.951 (3)	C9—C10	1.412 (4)
Mo1—C26	1.947 (3)	C9—H9	0.9500
Mo1—S1	2.5209 (7)	C10—H10	0.9500
Mo1—S2	2.5115 (7)	C11—C12	1.504 (3)
Mo2—C6	2.321 (3)	C11—H11a	0.9900
Mo2—C7	2.407 (3)	C11—H11b	0.9900
Mo2—C8	2.405 (3)	C12—C13	1.389 (4)
Mo2—C9	2.315 (3)	C12—C17	1.388 (3)
Mo2—C10	2.282 (3)	C13—C14	1.377 (4)
Mo2—C27	1.944 (3)	C13—H13	0.9500
Mo2—C28	1.959 (3)	C14—C15	1.377 (4)
Mo2—S1	2.5217 (6)	C14—H14	0.9500
Mo2—S2	2.5161 (6)	C15—C16	1.369 (4)
S1—C11	1.843 (2)	C15—H15	0.9500
S2—C18	1.842 (2)	C16—C17	1.385 (4)
O1—C25	1.162 (3)	C16—H16	0.9500
O2—C26	1.160 (3)	C17—H17	0.9500
O3—C27	1.166 (3)	C18—C19	1.503 (3)
O4—C28	1.148 (3)	C18—H18a	0.9900
C1—C5	1.391 (4)	C18—H18b	0.9900
C1—C2	1.400 (4)	C19—C24	1.392 (3)
C1—H1	0.9500	C19—C20	1.392 (3)
C2—C3	1.404 (4)	C20—C21	1.375 (4)
C2—H2	0.9500	C20—H20	0.9500
C3—C4	1.400 (4)	C21—C22	1.380 (4)
C3—H3	0.9500	C21—H21	0.9500
C4—C5	1.404 (4)	C22—C23	1.374 (4)
C4—H4	0.9500	C22—H22	0.9500
C5—H5	0.9500	C23—C24	1.384 (4)
C6—C7	1.401 (5)	C23—H23	0.9500
C6—C10	1.412 (5)	C24—H24	0.9500
C1—Mo1—C2	34.5 (1)	Mo1—C3—H3	119.2
C1—Mo1—C3	57.8 (1)	C3—C4—C5	107.7 (3)
C1—Mo1—C4	57.5 (1)	C3—C4—Mo1	71.68 (15)
C1—Mo1—C5	34.0 (1)	C5—C4—Mo1	74.61 (14)
C1—Mo1—C25	148.1 (1)	C3—C4—H4	126.2
C1—Mo1—C26	112.2 (1)	C5—C4—H4	126.2
C1—Mo1—S2	116.9 (1)	Mo1—C4—H4	119.4
C1—Mo1—S1	85.9 (1)	C1—C5—C4	108.4 (3)
C2—Mo1—C3	35.3 (1)	C1—C5—Mo1	73.64 (15)
C2—Mo1—C4	58.3 (1)	C4—C5—Mo1	70.60 (14)
C2—Mo1—C5	57.3 (1)	C1—C5—H5	125.8
C2—Mo1—C25	116.7 (1)	C4—C5—H5	125.8
C2—Mo1—C26	91.7 (1)	Mo1—C5—H5	121.7
C2—Mo1—S1	111.3 (1)	C7—C6—C10	108.1 (3)
C2—Mo1—S2	146.8 (1)	C7—C6—Mo2	76.15 (18)
C3—Mo1—C25	90.4 (1)	C10—C6—Mo2	70.61 (17)
C3—Mo1—C26	105.9 (1)	C7—C6—H6	125.9
C3—Mo1—C4	35.3 (1)	C10—C6—H6	125.9
C3—Mo1—C5	57.9 (1)	Mo2—C6—H6	119.1
C3—Mo1—S1	143.5 (1)	C8—C7—C6	108.4 (3)
C3—Mo1—S2	127.2 (1)	C8—C7—Mo2	73.18 (17)
C4—Mo1—C5	34.8 (1)	C6—C7—Mo2	69.45 (19)
C4—Mo1—S2	94.1 (1)	C8—C7—H7	125.8
C4—Mo1—C25	98.8 (1)	C6—C7—H7	125.8
C4—Mo1—C26	141.0 (1)	Mo2—C7—H7	123.2
C4—Mo1—S1	128.3 (1)	C7—C8—C9	108.3 (3)
C5—Mo1—C25	132.4 (1)	C7—C8—Mo2	73.32 (18)
C5—Mo1—C26	146.0 (1)	C9—C8—Mo2	69.23 (15)
C5—Mo1—S1	94.5 (1)	C7—C8—H8	125.9
C5—Mo1—S2	89.5 (1)	C9—C8—H8	125.9
C25—Mo1—C26	71.3 (1)	Mo2—C8—H8	123.2
C25—Mo1—S1	125.6 (1)	C8—C9—C10	108.2 (3)
C25—Mo1—S2	83.0 (1)	C8—C9—Mo2	76.33 (15)
C26—Mo1—S1	83.5 (1)	C10—C9—Mo2	70.85 (15)
C26—Mo1—S2	120.8 (1)	C8—C9—H9	125.9
S1—Mo1—S2	69.7 (1)	C10—C9—H9	125.9
C6—Mo2—C8	57.1 (1)	Mo2—C9—H9	118.8
C6—Mo2—C9	58.6 (1)	C9—C10—C6	106.9 (3)
C6—Mo2—C10	35.7 (1)	C9—C10—Mo2	73.38 (15)
C6—Mo2—C27	94.0 (1)	C6—C10—Mo2	73.67 (16)
C6—Mo2—C28	126.4 (1)	C9—C10—H10	126.5
C6—Mo2—C7	34.4 (1)	C6—C10—H10	126.5
C6—Mo2—S1	142.3 (1)	Mo2—C10—H10	118.4
C6—Mo2—S2	101.5 (1)	C12—C11—S1	110.79 (16)
C7—Mo2—C8	33.5 (1)	C12—C11—H11a	109.5
C7—Mo2—C9	57.1 (1)	S1—C11—H11a	109.5
C7—Mo2—C10	58.0 (1)	C12—C11—H11b	109.5
C7—Mo2—C27	121.5 (1)	S1—C11—H11b	109.5
C7—Mo2—C28	149.1 (1)	H11a—C11—H11b	108.1
C7—Mo2—S1	108.2 (1)	C13—C12—C17	117.7 (2)
C7—Mo2—S2	84.2 (1)	C13—C12—C11	121.7 (2)
C8—Mo2—C9	34.4 (1)	C17—C12—C11	120.6 (2)
C8—Mo2—C10	58.1 (1)	C14—C13—C12	121.5 (3)
C8—Mo2—C27	151.1 (1)	C14—C13—H13	119.3
C8—Mo2—C28	122.5 (1)	C12—C13—H13	119.3
C8—Mo2—S1	88.0 (1)	C15—C14—C13	119.9 (3)
C8—Mo2—S2	101.9 (1)	C15—C14—H14	120.1
C9—Mo2—C10	35.8 (1)	C13—C14—H14	120.1
C9—Mo2—C27	132.0 (1)	C14—C15—C16	119.7 (3)
C9—Mo2—C28	92.7 (1)	C14—C15—H15	120.1
C9—Mo2—S1	101.7 (1)	C16—C15—H15	120.1
C9—Mo2—S2	136.3 (1)	C15—C16—C17	120.4 (3)
C10—Mo2—C27	98.6 (1)	C15—C16—H16	119.8
C10—Mo2—C28	94.0 (1)	C17—C16—H16	119.8
C10—Mo2—S1	137.4 (1)	C16—C17—C12	120.8 (3)
C10—Mo2—S2	137.1 (1)	C16—C17—H17	119.6
C27—Mo2—C28	71.9 (1)	C12—C17—H17	119.6
C27—Mo2—S1	120.1 (1)	C19—C18—S2	110.97 (17)
C27—Mo2—S2	83.6 (1)	C19—C18—H18a	109.4
C28—Mo2—S1	82.7 (1)	S2—C18—H18a	109.4
C28—Mo2—S2	126.5 (1)	C19—C18—H18b	109.4
S1—Mo2—S2	69.6 (1)	S2—C18—H18b	109.4
C11—S1—Mo1	113.46 (9)	H18a—C18—H18b	108.0
C11—S1—Mo2	114.13 (8)	C24—C19—C20	117.9 (2)
Mo1—S1—Mo2	99.05 (2)	C24—C19—C18	121.4 (2)
C18—S2—Mo1	112.18 (8)	C20—C19—C18	120.8 (2)
C18—S2—Mo2	112.58 (8)	C21—C20—C19	121.5 (2)
Mo1—S2—Mo2	99.45 (2)	C21—C20—H20	119.3
C5—C1—C2	108.0 (3)	C19—C20—H20	119.3
C5—C1—Mo1	72.38 (15)	C20—C21—C22	119.8 (3)
C2—C1—Mo1	70.63 (15)	C20—C21—H21	120.1
C5—C1—H1	126.0	C22—C21—H21	120.1
C2—C1—H1	126.0	C23—C22—C21	120.0 (3)
Mo1—C1—H1	122.7	C23—C22—H22	120.0
C1—C2—C3	108.0 (3)	C21—C22—H22	120.0
C1—C2—Mo1	74.90 (15)	C22—C23—C24	120.2 (3)
C3—C2—Mo1	71.19 (15)	C22—C23—H23	119.9
C1—C2—H2	126.0	C24—C23—H23	119.9
C3—C2—H2	126.0	C23—C24—C19	120.7 (3)
Mo1—C2—H2	119.7	C23—C24—H24	119.7
C4—C3—C2	107.9 (3)	C19—C24—H24	119.7
C4—C3—Mo1	73.07 (15)	O1—C25—Mo1	176.1 (2)
C2—C3—Mo1	73.56 (15)	O2—C26—Mo1	177.6 (2)
C4—C3—H3	126.0	O3—C27—Mo2	178.1 (2)
C2—C3—H3	126.0	O4—C28—Mo2	176.6 (2)
C25—Mo1—S1—C11	−91.55 (13)	C2—C1—C5—C4	0.4 (3)
C26—Mo1—S1—C11	−30.10 (11)	Mo1—C1—C5—C4	62.45 (17)
C3—Mo1—S1—C11	77.92 (16)	C2—C1—C5—Mo1	−62.02 (18)
C4—Mo1—S1—C11	124.90 (12)	C3—C4—C5—C1	0.1 (3)
C2—Mo1—S1—C11	59.13 (12)	Mo1—C4—C5—C1	−64.41 (17)
C5—Mo1—S1—C11	115.75 (11)	C3—C4—C5—Mo1	64.55 (18)
C1—Mo1—S1—C11	82.87 (11)	C25—Mo1—C5—C1	134.62 (17)
S2—Mo1—S1—C11	−156.43 (9)	C26—Mo1—C5—C1	9.3 (3)
C25—Mo1—S1—Mo2	29.80 (10)	C3—Mo1—C5—C1	78.77 (18)
C26—Mo1—S1—Mo2	91.25 (8)	C4—Mo1—C5—C1	116.9 (2)
C3—Mo1—S1—Mo2	−160.73 (14)	C2—Mo1—C5—C1	36.76 (16)
C4—Mo1—S1—Mo2	−113.75 (9)	S2—Mo1—C5—C1	−145.29 (16)
C2—Mo1—S1—Mo2	−179.52 (8)	S1—Mo1—C5—C1	−75.73 (16)
C5—Mo1—S1—Mo2	−122.89 (7)	C25—Mo1—C5—C4	17.7 (2)
C1—Mo1—S1—Mo2	−155.78 (7)	C26—Mo1—C5—C4	−107.6 (2)
S2—Mo1—S1—Mo2	−35.08 (2)	C3—Mo1—C5—C4	−38.13 (17)
C27—Mo2—S1—C11	86.58 (13)	C2—Mo1—C5—C4	−80.15 (18)
C28—Mo2—S1—C11	22.49 (13)	C1—Mo1—C5—C4	−116.9 (2)
C10—Mo2—S1—C11	−65.54 (17)	S2—Mo1—C5—C4	97.80 (16)
C9—Mo2—S1—C11	−68.81 (12)	S1—Mo1—C5—C4	167.37 (16)
C6—Mo2—S1—C11	−121.82 (18)	C27—Mo2—C6—C7	145.6 (2)
C8—Mo2—S1—C11	−100.61 (12)	C28—Mo2—C6—C7	−144.1 (2)
C7—Mo2—S1—C11	−127.77 (12)	C10—Mo2—C6—C7	−115.2 (3)
S2—Mo2—S1—C11	155.89 (10)	C9—Mo2—C6—C7	−76.4 (2)
C27—Mo2—S1—Mo1	−34.28 (9)	C8—Mo2—C6—C7	−35.55 (17)
C28—Mo2—S1—Mo1	−98.38 (9)	S2—Mo2—C6—C7	61.34 (19)
C10—Mo2—S1—Mo1	173.59 (14)	S1—Mo2—C6—C7	−10.0 (3)
C9—Mo2—S1—Mo1	170.32 (8)	C27—Mo2—C6—C10	−99.2 (2)
C6—Mo2—S1—Mo1	117.31 (15)	C28—Mo2—C6—C10	−28.9 (3)
C8—Mo2—S1—Mo1	138.53 (7)	C9—Mo2—C6—C10	38.78 (18)
C7—Mo2—S1—Mo1	111.36 (8)	C8—Mo2—C6—C10	79.67 (19)
S2—Mo2—S1—Mo1	35.03 (2)	C7—Mo2—C6—C10	115.2 (3)
C25—Mo1—S2—C18	22.33 (12)	S2—Mo2—C6—C10	176.55 (18)
C26—Mo1—S2—C18	85.67 (13)	S1—Mo2—C6—C10	105.2 (2)
C3—Mo1—S2—C18	−62.89 (13)	C10—C6—C7—C8	−0.7 (3)
C4—Mo1—S2—C18	−76.05 (12)	Mo2—C6—C7—C8	63.2 (2)
C2—Mo1—S2—C18	−107.41 (17)	C10—C6—C7—Mo2	−63.9 (2)
C5—Mo1—S2—C18	−110.56 (11)	C27—Mo2—C7—C8	−159.15 (18)
C1—Mo1—S2—C18	−131.47 (12)	C28—Mo2—C7—C8	−51.0 (3)
S1—Mo1—S2—C18	154.43 (9)	C10—Mo2—C7—C8	−79.27 (19)
C25—Mo1—S2—Mo2	−96.89 (9)	C9—Mo2—C7—C8	−36.62 (17)
C26—Mo1—S2—Mo2	−33.55 (9)	C6—Mo2—C7—C8	−117.8 (3)
C3—Mo1—S2—Mo2	177.89 (9)	S2—Mo2—C7—C8	122.04 (19)
C4—Mo1—S2—Mo2	164.73 (7)	S1—Mo2—C7—C8	55.8 (2)
C2—Mo1—S2—Mo2	133.37 (15)	C27—Mo2—C7—C6	−41.4 (2)
C5—Mo1—S2—Mo2	130.22 (7)	C28—Mo2—C7—C6	66.8 (3)
C1—Mo1—S2—Mo2	109.31 (7)	C10—Mo2—C7—C6	38.50 (19)
S1—Mo1—S2—Mo2	35.21 (2)	C9—Mo2—C7—C6	81.2 (2)
C27—Mo2—S2—C18	−28.68 (12)	C8—Mo2—C7—C6	117.8 (3)
C28—Mo2—S2—C18	−90.47 (13)	S2—Mo2—C7—C6	−120.2 (2)
C10—Mo2—S2—C18	67.04 (15)	S1—Mo2—C7—C6	173.55 (18)
C9—Mo2—S2—C18	120.23 (14)	C6—C7—C8—C9	−0.1 (3)
C6—Mo2—S2—C18	64.09 (13)	Mo2—C7—C8—C9	60.73 (19)
C8—Mo2—S2—C18	122.54 (11)	C6—C7—C8—Mo2	−60.8 (2)
C7—Mo2—S2—C18	93.98 (13)	C27—Mo2—C8—C7	38.9 (3)
S1—Mo2—S2—C18	−154.15 (9)	C28—Mo2—C8—C7	151.8 (2)
C27—Mo2—S2—Mo1	90.24 (8)	C10—Mo2—C8—C7	79.1 (2)
C28—Mo2—S2—Mo1	28.45 (10)	C9—Mo2—C8—C7	117.7 (3)
C10—Mo2—S2—Mo1	−174.03 (11)	C6—Mo2—C8—C7	36.5 (2)
C9—Mo2—S2—Mo1	−120.84 (10)	S2—Mo2—C8—C7	−59.5 (2)
C6—Mo2—S2—Mo1	−176.99 (10)	S1—Mo2—C8—C7	−128.2 (2)
C8—Mo2—S2—Mo1	−118.54 (7)	C27—Mo2—C8—C9	−78.8 (3)
C7—Mo2—S2—Mo1	−147.10 (9)	C28—Mo2—C8—C9	34.1 (2)
S1—Mo2—S2—Mo1	−35.22 (2)	C10—Mo2—C8—C9	−38.55 (18)
C25—Mo1—C1—C5	−84.2 (3)	C6—Mo2—C8—C9	−81.1 (2)
C26—Mo1—C1—C5	−174.38 (16)	C7—Mo2—C8—C9	−117.7 (3)
C3—Mo1—C1—C5	−79.08 (18)	S2—Mo2—C8—C9	−177.18 (15)
C4—Mo1—C1—C5	−37.08 (16)	S1—Mo2—C8—C9	114.17 (16)
C2—Mo1—C1—C5	−117.1 (2)	C7—C8—C9—C10	0.8 (3)
S2—Mo1—C1—C5	39.68 (17)	Mo2—C8—C9—C10	64.18 (19)
S1—Mo1—C1—C5	104.39 (16)	C7—C8—C9—Mo2	−63.3 (2)
C25—Mo1—C1—C2	32.9 (3)	C27—Mo2—C9—C8	140.36 (18)
C26—Mo1—C1—C2	−57.28 (19)	C28—Mo2—C9—C8	−151.74 (18)
C3—Mo1—C1—C2	38.02 (17)	C10—Mo2—C9—C8	115.2 (3)
C4—Mo1—C1—C2	80.01 (18)	C6—Mo2—C9—C8	76.4 (2)
C5—Mo1—C1—C2	117.1 (2)	C7—Mo2—C9—C8	35.60 (18)
S2—Mo1—C1—C2	156.78 (15)	S2—Mo2—C9—C8	4.0 (2)
S1—Mo1—C1—C2	−138.51 (17)	S1—Mo2—C9—C8	−68.61 (17)
C5—C1—C2—C3	−0.8 (3)	C27—Mo2—C9—C10	25.2 (3)
Mo1—C1—C2—C3	−63.98 (18)	C28—Mo2—C9—C10	93.1 (2)
C5—C1—C2—Mo1	63.15 (17)	C6—Mo2—C9—C10	−38.7 (2)
C25—Mo1—C2—C1	−161.29 (17)	C8—Mo2—C9—C10	−115.2 (3)
C26—Mo1—C2—C1	128.82 (18)	C7—Mo2—C9—C10	−79.6 (2)
C3—Mo1—C2—C1	−115.4 (2)	S2—Mo2—C9—C10	−111.2 (2)
C4—Mo1—C2—C1	−77.57 (18)	S1—Mo2—C9—C10	176.21 (19)
C5—Mo1—C2—C1	−36.22 (15)	C8—C9—C10—C6	−1.2 (3)
S2—Mo1—C2—C1	−40.0 (3)	Mo2—C9—C10—C6	66.6 (2)
S1—Mo1—C2—C1	45.18 (18)	C8—C9—C10—Mo2	−67.80 (19)
C25—Mo1—C2—C3	−45.9 (2)	C7—C6—C10—C9	1.2 (3)
C26—Mo1—C2—C3	−115.74 (18)	Mo2—C6—C10—C9	−66.4 (2)
C4—Mo1—C2—C3	37.87 (17)	C7—C6—C10—Mo2	67.5 (2)
C5—Mo1—C2—C3	79.22 (18)	C27—Mo2—C10—C9	−161.3 (2)
C1—Mo1—C2—C3	115.4 (2)	C28—Mo2—C10—C9	−89.1 (2)
S2—Mo1—C2—C3	75.5 (2)	C6—Mo2—C10—C9	113.8 (3)
S1—Mo1—C2—C3	160.62 (16)	C8—Mo2—C10—C9	37.08 (17)
C1—C2—C3—C4	0.9 (3)	C7—Mo2—C10—C9	76.8 (2)
Mo1—C2—C3—C4	−65.51 (18)	S2—Mo2—C10—C9	108.86 (19)
C1—C2—C3—Mo1	66.44 (18)	S1—Mo2—C10—C9	−5.5 (3)
C25—Mo1—C3—C4	−104.72 (19)	C27—Mo2—C10—C6	84.8 (2)
C26—Mo1—C3—C4	−175.41 (17)	C28—Mo2—C10—C6	157.1 (2)
C2—Mo1—C3—C4	115.2 (3)	C9—Mo2—C10—C6	−113.8 (3)
C5—Mo1—C3—C4	37.62 (16)	C8—Mo2—C10—C6	−76.7 (2)
C1—Mo1—C3—C4	78.00 (18)	C7—Mo2—C10—C6	−37.05 (19)
S2—Mo1—C3—C4	−23.2 (2)	S2—Mo2—C10—C6	−5.0 (3)
S1—Mo1—C3—C4	83.8 (2)	S1—Mo2—C10—C6	−119.3 (2)
C25—Mo1—C3—C2	140.12 (19)	Mo1—S1—C11—C12	−69.63 (19)
C26—Mo1—C3—C2	69.43 (19)	Mo2—S1—C11—C12	177.90 (15)
C4—Mo1—C3—C2	−115.2 (3)	S1—C11—C12—C13	102.8 (2)
C5—Mo1—C3—C2	−77.54 (18)	S1—C11—C12—C17	−76.7 (3)
C1—Mo1—C3—C2	−37.16 (16)	C17—C12—C13—C14	1.4 (4)
S2—Mo1—C3—C2	−138.33 (15)	C11—C12—C13—C14	−178.1 (2)
S1—Mo1—C3—C2	−31.3 (2)	C12—C13—C14—C15	−0.1 (4)
C2—C3—C4—C5	−0.7 (3)	C13—C14—C15—C16	−1.0 (5)
Mo1—C3—C4—C5	−66.50 (18)	C14—C15—C16—C17	0.7 (5)
C2—C3—C4—Mo1	65.84 (18)	C15—C16—C17—C12	0.6 (5)
C25—Mo1—C4—C3	78.14 (19)	C13—C12—C17—C16	−1.6 (4)
C26—Mo1—C4—C3	7.0 (3)	C11—C12—C17—C16	177.9 (3)
C2—Mo1—C4—C3	−37.87 (17)	Mo1—S2—C18—C19	178.92 (15)
C5—Mo1—C4—C3	−115.0 (2)	Mo2—S2—C18—C19	−69.88 (19)
C1—Mo1—C4—C3	−78.80 (19)	S2—C18—C19—C24	114.4 (2)
S2—Mo1—C4—C3	161.68 (17)	S2—C18—C19—C20	−64.4 (3)
S1—Mo1—C4—C3	−131.13 (16)	C24—C19—C20—C21	−0.2 (4)
C25—Mo1—C4—C5	−166.86 (17)	C18—C19—C20—C21	178.7 (2)
C26—Mo1—C4—C5	122.03 (19)	C19—C20—C21—C22	−0.6 (4)
C3—Mo1—C4—C5	115.0 (2)	C20—C21—C22—C23	1.0 (4)
C2—Mo1—C4—C5	77.13 (18)	C21—C22—C23—C24	−0.6 (4)
C1—Mo1—C4—C5	36.20 (15)	C22—C23—C24—C19	−0.3 (4)
S2—Mo1—C4—C5	−83.31 (16)	C20—C19—C24—C23	0.7 (4)
S1—Mo1—C4—C5	−16.1 (2)	C18—C19—C24—C23	−178.2 (2)