metal-organic compounds
The reaction of bis[cyclopentadienyltricarbonylmolybdenum(I)] with dibenzyl trisulfide affords the dinuclear title compound, [MoII2(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.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804009936/bt6453sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804009936/bt6453Isup2.hkl |
CCDC reference: 239113
Computing details top
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.
Crystal data top
[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) Å3 | 0.33 × 0.14 × 0.04 mm |
Z = 4 |
Data collection top
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 top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.025 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.050 | H-atom parameters constrained |
S = 0.90 | w = 1/[σ2(Fo2) + (0.0261P)2] where P = (Fo2 + 2Fc2)/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 (Å2) top
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 (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
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) top
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) |