Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680601676X/bh2016sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680601676X/bh2016Isup2.hkl |
CCDC reference: 610693
Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2001); software used to prepare material for publication: SHELXTL.
[Mo2Fe(C5H6O2)S(CO)7] | F(000) = 1376 |
Mr = 702.12 | Dx = 2.057 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 7955 reflections |
a = 10.123 (2) Å | θ = 2.3–27.9° |
b = 18.835 (4) Å | µ = 1.87 mm−1 |
c = 12.326 (2) Å | T = 298 K |
β = 105.255 (2)° | Block, nut brown |
V = 2267.3 (8) Å3 | 0.46 × 0.25 × 0.18 mm |
Z = 4 |
Bruker SMART CCD area-detector diffractometer | 3990 independent reflections |
Radiation source: fine-focus sealed tube | 3673 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.019 |
φ and ω scans | θmax = 25.0°, θmin = 2.4° |
Absorption correction: multi-scan (SADABS; Bruker, 1999) | h = −11→12 |
Tmin = 0.481, Tmax = 0.730 | k = −18→22 |
9389 measured reflections | l = −14→14 |
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)] = 0.020 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.051 | H-atom parameters constrained |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0277P)2 + 0.523P] where P = (Fo2 + 2Fc2)/3 |
3990 reflections | (Δ/σ)max = 0.001 |
316 parameters | Δρmax = 0.31 e Å−3 |
0 restraints | Δρmin = −0.44 e Å−3 |
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. |
x | y | z | Uiso*/Ueq | ||
Mo1 | 0.198018 (18) | 0.066396 (10) | 0.808949 (15) | 0.02581 (6) | |
Mo2 | 0.36978 (2) | 0.167578 (10) | 0.705359 (15) | 0.02920 (7) | |
Fe1 | 0.27556 (3) | 0.204015 (16) | 0.89249 (3) | 0.02952 (9) | |
C1 | 0.1570 (3) | −0.04013 (13) | 0.8927 (2) | 0.0467 (6) | |
H1 | 0.1331 | −0.0444 | 0.9645 | 0.056* | |
C2 | 0.0631 (3) | −0.03346 (13) | 0.7860 (3) | 0.0482 (7) | |
H2 | −0.0368 | −0.0340 | 0.7711 | 0.058* | |
C3 | 0.1373 (3) | −0.03494 (12) | 0.7036 (2) | 0.0396 (6) | |
H3 | 0.0975 | −0.0368 | 0.6220 | 0.047* | |
C4 | 0.2784 (2) | −0.04253 (11) | 0.7597 (2) | 0.0341 (5) | |
C5 | 0.2890 (3) | −0.04548 (12) | 0.8779 (2) | 0.0371 (5) | |
H5 | 0.3733 | −0.0535 | 0.9376 | 0.044* | |
C6 | 0.3933 (3) | −0.05241 (12) | 0.7071 (2) | 0.0385 (6) | |
C7 | 0.5348 (2) | −0.05304 (14) | 0.7855 (2) | 0.0427 (6) | |
H7A | 0.5448 | −0.0956 | 0.8313 | 0.051* | |
H7B | 0.5437 | −0.0126 | 0.8356 | 0.051* | |
C8 | 0.6512 (3) | −0.05072 (15) | 0.7287 (2) | 0.0507 (7) | |
H8A | 0.6420 | −0.0904 | 0.6770 | 0.061* | |
H8B | 0.7377 | −0.0559 | 0.7852 | 0.061* | |
C9 | 0.6529 (3) | 0.01835 (15) | 0.6645 (2) | 0.0494 (7) | |
H9A | 0.7264 | 0.0165 | 0.6275 | 0.059* | |
H9B | 0.5673 | 0.0230 | 0.6068 | 0.059* | |
C10 | 0.6724 (3) | 0.08232 (15) | 0.7398 (2) | 0.0444 (6) | |
C11 | 0.5968 (2) | 0.14800 (14) | 0.6966 (2) | 0.0398 (6) | |
C12 | 0.5160 (3) | 0.16159 (14) | 0.5855 (2) | 0.0431 (6) | |
H12 | 0.5052 | 0.1296 | 0.5211 | 0.052* | |
C13 | 0.4644 (3) | 0.23075 (15) | 0.5817 (2) | 0.0522 (7) | |
H13 | 0.4127 | 0.2554 | 0.5139 | 0.063* | |
C14 | 0.5134 (3) | 0.26180 (15) | 0.6894 (3) | 0.0538 (8) | |
H14 | 0.5018 | 0.3115 | 0.7088 | 0.065* | |
C15 | 0.5936 (3) | 0.21123 (15) | 0.7598 (2) | 0.0467 (7) | |
H15 | 0.6470 | 0.2195 | 0.8375 | 0.056* | |
C16 | 0.2567 (2) | 0.10170 (13) | 0.5952 (2) | 0.0354 (5) | |
C17 | 0.2170 (3) | 0.23603 (13) | 0.6599 (2) | 0.0376 (5) | |
C18 | 0.3869 (3) | 0.27831 (14) | 0.9036 (2) | 0.0407 (6) | |
C19 | 0.2879 (2) | 0.20486 (12) | 1.0400 (2) | 0.0342 (5) | |
C20 | 0.1169 (3) | 0.25126 (13) | 0.85199 (19) | 0.0387 (6) | |
C21 | 0.1159 (2) | 0.10142 (14) | 0.9265 (2) | 0.0393 (6) | |
C22 | 0.0369 (3) | 0.11478 (13) | 0.7046 (2) | 0.0377 (5) | |
O1 | −0.05892 (19) | 0.13846 (11) | 0.64734 (17) | 0.0600 (5) | |
O2 | 0.0565 (2) | 0.10900 (12) | 0.99371 (17) | 0.0608 (6) | |
O3 | 0.29490 (19) | 0.20823 (11) | 1.13300 (14) | 0.0512 (5) | |
O4 | 0.0152 (2) | 0.28026 (12) | 0.83064 (16) | 0.0610 (6) | |
O5 | 0.4598 (2) | 0.32524 (10) | 0.91462 (17) | 0.0605 (5) | |
O6 | 0.1986 (2) | 0.07030 (10) | 0.51683 (15) | 0.0492 (5) | |
O7 | 0.1384 (2) | 0.27906 (11) | 0.62103 (16) | 0.0561 (5) | |
O8 | 0.3708 (2) | −0.06235 (10) | 0.60666 (15) | 0.0550 (5) | |
O9 | 0.7491 (2) | 0.08158 (12) | 0.83411 (18) | 0.0652 (6) | |
S1 | 0.41632 (5) | 0.11653 (3) | 0.88772 (4) | 0.02867 (12) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Mo1 | 0.02571 (11) | 0.02420 (11) | 0.02933 (11) | −0.00145 (7) | 0.01044 (8) | 0.00229 (7) |
Mo2 | 0.03311 (12) | 0.02721 (12) | 0.03088 (11) | −0.00187 (8) | 0.01477 (9) | 0.00357 (8) |
Fe1 | 0.03423 (18) | 0.02609 (17) | 0.02862 (16) | 0.00174 (13) | 0.00894 (14) | −0.00113 (13) |
C1 | 0.0546 (17) | 0.0338 (14) | 0.0598 (16) | −0.0038 (12) | 0.0293 (14) | 0.0138 (13) |
C2 | 0.0356 (14) | 0.0302 (14) | 0.081 (2) | −0.0104 (11) | 0.0188 (14) | 0.0048 (13) |
C3 | 0.0410 (14) | 0.0246 (12) | 0.0485 (14) | −0.0044 (10) | 0.0038 (11) | −0.0047 (11) |
C4 | 0.0401 (14) | 0.0199 (11) | 0.0425 (13) | −0.0022 (9) | 0.0114 (11) | 0.0004 (10) |
C5 | 0.0450 (14) | 0.0251 (12) | 0.0418 (13) | 0.0002 (10) | 0.0126 (11) | 0.0093 (10) |
C6 | 0.0464 (15) | 0.0255 (12) | 0.0448 (15) | 0.0073 (10) | 0.0143 (12) | 0.0006 (10) |
C7 | 0.0399 (14) | 0.0441 (15) | 0.0468 (14) | 0.0113 (11) | 0.0161 (12) | 0.0104 (12) |
C8 | 0.0430 (15) | 0.0541 (17) | 0.0595 (17) | 0.0144 (13) | 0.0215 (14) | 0.0081 (14) |
C9 | 0.0491 (16) | 0.0557 (17) | 0.0519 (15) | 0.0108 (13) | 0.0282 (13) | 0.0077 (13) |
C10 | 0.0306 (13) | 0.0580 (17) | 0.0472 (15) | −0.0010 (12) | 0.0150 (12) | 0.0087 (13) |
C11 | 0.0339 (13) | 0.0477 (15) | 0.0440 (14) | −0.0072 (11) | 0.0213 (11) | 0.0040 (12) |
C12 | 0.0454 (15) | 0.0516 (16) | 0.0412 (13) | −0.0006 (12) | 0.0273 (12) | 0.0107 (12) |
C13 | 0.0543 (17) | 0.0535 (17) | 0.0587 (17) | 0.0008 (14) | 0.0324 (14) | 0.0234 (14) |
C14 | 0.0614 (18) | 0.0355 (15) | 0.079 (2) | −0.0109 (13) | 0.0437 (16) | 0.0063 (14) |
C15 | 0.0421 (15) | 0.0495 (16) | 0.0540 (15) | −0.0195 (12) | 0.0220 (13) | −0.0040 (13) |
C16 | 0.0423 (14) | 0.0320 (13) | 0.0357 (13) | 0.0035 (11) | 0.0171 (11) | 0.0046 (11) |
C17 | 0.0450 (14) | 0.0339 (13) | 0.0354 (12) | −0.0017 (11) | 0.0136 (11) | 0.0022 (11) |
C18 | 0.0542 (16) | 0.0334 (14) | 0.0336 (12) | 0.0006 (12) | 0.0099 (11) | 0.0008 (11) |
C19 | 0.0333 (13) | 0.0314 (13) | 0.0375 (13) | 0.0045 (10) | 0.0086 (10) | −0.0013 (10) |
C20 | 0.0465 (15) | 0.0394 (14) | 0.0293 (12) | 0.0071 (12) | 0.0083 (11) | −0.0031 (10) |
C21 | 0.0363 (13) | 0.0420 (14) | 0.0426 (13) | −0.0061 (11) | 0.0155 (11) | −0.0020 (12) |
C22 | 0.0354 (13) | 0.0392 (14) | 0.0398 (13) | −0.0018 (11) | 0.0123 (11) | 0.0035 (11) |
O1 | 0.0417 (11) | 0.0685 (14) | 0.0624 (12) | 0.0081 (10) | 0.0009 (10) | 0.0191 (11) |
O2 | 0.0636 (13) | 0.0705 (14) | 0.0629 (12) | −0.0207 (10) | 0.0425 (11) | −0.0171 (11) |
O3 | 0.0525 (11) | 0.0683 (13) | 0.0326 (10) | 0.0095 (10) | 0.0110 (8) | −0.0040 (9) |
O4 | 0.0565 (13) | 0.0712 (14) | 0.0501 (11) | 0.0290 (11) | 0.0049 (10) | −0.0043 (10) |
O5 | 0.0807 (15) | 0.0393 (11) | 0.0587 (12) | −0.0230 (11) | 0.0137 (11) | −0.0023 (9) |
O6 | 0.0585 (12) | 0.0499 (11) | 0.0381 (10) | −0.0003 (9) | 0.0110 (9) | −0.0088 (9) |
O7 | 0.0653 (13) | 0.0497 (12) | 0.0511 (11) | 0.0180 (10) | 0.0117 (10) | 0.0149 (10) |
O8 | 0.0634 (13) | 0.0626 (13) | 0.0400 (10) | 0.0168 (10) | 0.0151 (9) | −0.0082 (9) |
O9 | 0.0509 (12) | 0.0806 (16) | 0.0563 (13) | 0.0004 (11) | 0.0001 (10) | 0.0082 (11) |
S1 | 0.0267 (3) | 0.0282 (3) | 0.0315 (3) | 0.0000 (2) | 0.0082 (2) | 0.0034 (2) |
Mo1—C21 | 1.965 (2) | C4—C6 | 1.485 (3) |
Mo1—C22 | 2.010 (3) | C5—H5 | 0.9800 |
Mo1—C2 | 2.297 (2) | C6—O8 | 1.213 (3) |
Mo1—C3 | 2.300 (2) | C6—C7 | 1.503 (4) |
Mo1—C1 | 2.343 (2) | C7—C8 | 1.522 (4) |
Mo1—C4 | 2.345 (2) | C7—H7A | 0.9700 |
Mo1—S1 | 2.3640 (7) | C7—H7B | 0.9700 |
Mo1—C5 | 2.366 (2) | C8—C9 | 1.525 (4) |
Mo1—Fe1 | 2.8231 (6) | C8—H8A | 0.9700 |
Mo1—Mo2 | 3.0747 (4) | C8—H8B | 0.9700 |
Mo2—C16 | 1.969 (3) | C9—C10 | 1.502 (4) |
Mo2—C17 | 1.978 (3) | C9—H9A | 0.9700 |
Mo2—C13 | 2.329 (2) | C9—H9B | 0.9700 |
Mo2—C14 | 2.335 (3) | C10—O9 | 1.216 (3) |
Mo2—C15 | 2.337 (3) | C10—C11 | 1.478 (4) |
Mo2—C12 | 2.353 (2) | C11—C12 | 1.420 (4) |
Mo2—C11 | 2.358 (2) | C11—C15 | 1.428 (4) |
Mo2—S1 | 2.3753 (7) | C12—C13 | 1.400 (4) |
Mo2—Fe1 | 2.8034 (6) | C12—H12 | 0.9800 |
Fe1—C18 | 1.779 (3) | C13—C14 | 1.416 (4) |
Fe1—C20 | 1.788 (3) | C13—H13 | 0.9800 |
Fe1—C19 | 1.790 (2) | C14—C15 | 1.396 (4) |
Fe1—S1 | 2.1893 (7) | C14—H14 | 0.9800 |
C1—C5 | 1.399 (4) | C15—H15 | 0.9800 |
C1—C2 | 1.411 (4) | C16—O6 | 1.153 (3) |
C1—H1 | 0.9800 | C17—O7 | 1.149 (3) |
C2—C3 | 1.413 (4) | C18—O5 | 1.136 (3) |
C2—H2 | 0.9800 | C19—O3 | 1.131 (3) |
C3—C4 | 1.421 (3) | C20—O4 | 1.134 (3) |
C3—H3 | 0.9800 | C21—O2 | 1.153 (3) |
C4—C5 | 1.433 (3) | C22—O1 | 1.131 (3) |
C21—Mo1—C22 | 83.68 (10) | C18—Fe1—Mo1 | 149.30 (8) |
C21—Mo1—C2 | 90.72 (10) | C20—Fe1—Mo1 | 102.24 (8) |
C22—Mo1—C2 | 86.37 (10) | C19—Fe1—Mo1 | 108.49 (8) |
C21—Mo1—C3 | 126.38 (10) | S1—Fe1—Mo1 | 54.52 (2) |
C22—Mo1—C3 | 87.92 (9) | Mo2—Fe1—Mo1 | 66.249 (10) |
C2—Mo1—C3 | 35.81 (9) | C5—C1—C2 | 108.5 (2) |
C21—Mo1—C1 | 78.70 (10) | C5—C1—Mo1 | 73.64 (13) |
C22—Mo1—C1 | 117.53 (10) | C2—C1—Mo1 | 70.54 (14) |
C2—Mo1—C1 | 35.39 (10) | C5—C1—H1 | 125.7 |
C3—Mo1—C1 | 59.08 (10) | C2—C1—H1 | 125.7 |
C21—Mo1—C4 | 136.67 (9) | Mo1—C1—H1 | 125.7 |
C22—Mo1—C4 | 120.64 (9) | C1—C2—C3 | 108.3 (2) |
C2—Mo1—C4 | 59.16 (9) | C1—C2—Mo1 | 74.07 (14) |
C3—Mo1—C4 | 35.62 (8) | C3—C2—Mo1 | 72.18 (13) |
C1—Mo1—C4 | 58.57 (9) | C1—C2—H2 | 125.6 |
C21—Mo1—S1 | 95.41 (7) | C3—C2—H2 | 125.6 |
C22—Mo1—S1 | 126.51 (7) | Mo1—C2—H2 | 125.6 |
C2—Mo1—S1 | 146.99 (7) | C2—C3—C4 | 107.9 (2) |
C3—Mo1—S1 | 130.21 (6) | C2—C3—Mo1 | 72.01 (14) |
C1—Mo1—S1 | 114.58 (7) | C4—C3—Mo1 | 73.92 (13) |
C4—Mo1—S1 | 96.04 (6) | C2—C3—H3 | 125.8 |
C21—Mo1—C5 | 103.54 (10) | C4—C3—H3 | 125.8 |
C22—Mo1—C5 | 143.84 (9) | Mo1—C3—H3 | 125.8 |
C2—Mo1—C5 | 58.53 (9) | C3—C4—C5 | 107.2 (2) |
C3—Mo1—C5 | 59.00 (9) | C3—C4—C6 | 127.0 (2) |
C1—Mo1—C5 | 34.56 (9) | C5—C4—C6 | 125.6 (2) |
C4—Mo1—C5 | 35.42 (8) | C3—C4—Mo1 | 70.45 (13) |
S1—Mo1—C5 | 88.54 (6) | C5—C4—Mo1 | 73.10 (13) |
C21—Mo1—Fe1 | 63.50 (7) | C6—C4—Mo1 | 125.99 (15) |
C22—Mo1—Fe1 | 85.29 (7) | C1—C5—C4 | 108.1 (2) |
C2—Mo1—Fe1 | 153.61 (7) | C1—C5—Mo1 | 71.80 (14) |
C3—Mo1—Fe1 | 167.28 (6) | C4—C5—Mo1 | 71.47 (13) |
C1—Mo1—Fe1 | 133.63 (7) | C1—C5—H5 | 125.9 |
C4—Mo1—Fe1 | 144.64 (6) | C4—C5—H5 | 125.9 |
S1—Mo1—Fe1 | 48.952 (15) | Mo1—C5—H5 | 125.9 |
C5—Mo1—Fe1 | 129.93 (6) | O8—C6—C4 | 120.5 (2) |
C21—Mo1—Mo2 | 119.57 (7) | O8—C6—C7 | 123.1 (2) |
C22—Mo1—Mo2 | 84.58 (7) | C4—C6—C7 | 116.3 (2) |
C2—Mo1—Mo2 | 147.02 (7) | C6—C7—C8 | 115.2 (2) |
C3—Mo1—Mo2 | 112.10 (7) | C6—C7—H7A | 108.5 |
C1—Mo1—Mo2 | 154.01 (7) | C8—C7—H7A | 108.5 |
C4—Mo1—Mo2 | 99.34 (6) | C6—C7—H7B | 108.5 |
S1—Mo1—Mo2 | 49.712 (16) | C8—C7—H7B | 108.5 |
C5—Mo1—Mo2 | 119.47 (6) | H7A—C7—H7B | 107.5 |
Fe1—Mo1—Mo2 | 56.568 (12) | C7—C8—C9 | 112.3 (2) |
C16—Mo2—C17 | 86.92 (10) | C7—C8—H8A | 109.1 |
C16—Mo2—C13 | 97.79 (10) | C9—C8—H8A | 109.1 |
C17—Mo2—C13 | 84.69 (10) | C7—C8—H8B | 109.1 |
C16—Mo2—C14 | 133.09 (10) | C9—C8—H8B | 109.1 |
C17—Mo2—C14 | 86.47 (10) | H8A—C8—H8B | 107.9 |
C13—Mo2—C14 | 35.34 (10) | C10—C9—C8 | 112.4 (2) |
C16—Mo2—C15 | 139.80 (9) | C10—C9—H9A | 109.1 |
C17—Mo2—C15 | 118.60 (10) | C8—C9—H9A | 109.1 |
C13—Mo2—C15 | 58.21 (10) | C10—C9—H9B | 109.1 |
C14—Mo2—C15 | 34.76 (10) | C8—C9—H9B | 109.1 |
C16—Mo2—C12 | 83.38 (10) | H9A—C9—H9B | 107.9 |
C17—Mo2—C12 | 115.33 (9) | O9—C10—C11 | 119.6 (3) |
C13—Mo2—C12 | 34.78 (9) | O9—C10—C9 | 121.9 (3) |
C14—Mo2—C12 | 58.34 (10) | C11—C10—C9 | 118.5 (2) |
C15—Mo2—C12 | 58.29 (9) | C12—C11—C15 | 106.6 (2) |
C16—Mo2—C11 | 105.46 (9) | C12—C11—C10 | 127.6 (2) |
C17—Mo2—C11 | 141.99 (9) | C15—C11—C10 | 125.8 (2) |
C13—Mo2—C11 | 58.41 (9) | C12—C11—Mo2 | 72.27 (14) |
C14—Mo2—C11 | 58.61 (10) | C15—C11—Mo2 | 71.49 (14) |
C15—Mo2—C11 | 35.42 (9) | C10—C11—Mo2 | 122.18 (16) |
C12—Mo2—C11 | 35.10 (9) | C13—C12—C11 | 108.4 (3) |
C16—Mo2—S1 | 109.39 (7) | C13—C12—Mo2 | 71.67 (14) |
C17—Mo2—S1 | 118.51 (7) | C11—C12—Mo2 | 72.63 (13) |
C13—Mo2—S1 | 144.36 (8) | C13—C12—H12 | 125.7 |
C14—Mo2—S1 | 114.48 (8) | C11—C12—H12 | 125.7 |
C15—Mo2—S1 | 86.27 (7) | Mo2—C12—H12 | 125.7 |
C12—Mo2—S1 | 125.01 (7) | C12—C13—C14 | 108.5 (3) |
C11—Mo2—S1 | 91.56 (6) | C12—C13—Mo2 | 73.54 (14) |
C16—Mo2—Fe1 | 117.37 (7) | C14—C13—Mo2 | 72.56 (14) |
C17—Mo2—Fe1 | 70.33 (7) | C12—C13—H13 | 125.5 |
C13—Mo2—Fe1 | 134.50 (8) | C14—C13—H13 | 125.5 |
C14—Mo2—Fe1 | 103.72 (7) | Mo2—C13—H13 | 125.5 |
C15—Mo2—Fe1 | 101.06 (7) | C15—C14—C13 | 107.7 (3) |
C12—Mo2—Fe1 | 159.17 (7) | C15—C14—Mo2 | 72.69 (14) |
C11—Mo2—Fe1 | 128.52 (6) | C13—C14—Mo2 | 72.10 (15) |
S1—Mo2—Fe1 | 49.166 (18) | C15—C14—H14 | 126.0 |
C16—Mo2—Mo1 | 66.79 (7) | C13—C14—H14 | 126.0 |
C17—Mo2—Mo1 | 92.07 (7) | Mo2—C14—H14 | 126.0 |
C13—Mo2—Mo1 | 164.44 (8) | C14—C15—C11 | 108.8 (3) |
C14—Mo2—Mo1 | 159.83 (8) | C14—C15—Mo2 | 72.55 (16) |
C15—Mo2—Mo1 | 135.27 (7) | C11—C15—Mo2 | 73.09 (14) |
C12—Mo2—Mo1 | 138.50 (7) | C14—C15—H15 | 125.4 |
C11—Mo2—Mo1 | 125.91 (6) | C11—C15—H15 | 125.4 |
S1—Mo2—Mo1 | 49.391 (15) | Mo2—C15—H15 | 125.4 |
Fe1—Mo2—Mo1 | 57.183 (12) | O6—C16—Mo2 | 167.6 (2) |
C18—Fe1—C20 | 97.72 (12) | O7—C17—Mo2 | 169.2 (2) |
C18—Fe1—C19 | 92.37 (11) | O5—C18—Fe1 | 177.6 (2) |
C20—Fe1—C19 | 95.55 (10) | O3—C19—Fe1 | 177.3 (2) |
C18—Fe1—S1 | 100.98 (9) | O4—C20—Fe1 | 176.9 (2) |
C20—Fe1—S1 | 155.50 (8) | O2—C21—Mo1 | 166.7 (2) |
C19—Fe1—S1 | 99.33 (7) | O1—C22—Mo1 | 175.5 (2) |
C18—Fe1—Mo2 | 84.84 (8) | Fe1—S1—Mo1 | 76.53 (2) |
C20—Fe1—Mo2 | 111.53 (7) | Fe1—S1—Mo2 | 75.66 (2) |
C19—Fe1—Mo2 | 152.91 (7) | Mo1—S1—Mo2 | 80.897 (19) |
S1—Fe1—Mo2 | 55.174 (16) | ||
C21—Mo1—Mo2—C16 | −142.30 (11) | C22—Mo1—C4—C5 | −141.82 (14) |
C22—Mo1—Mo2—C16 | −62.73 (10) | C2—Mo1—C4—C5 | −77.90 (16) |
C2—Mo1—Mo2—C16 | 12.01 (15) | C3—Mo1—C4—C5 | −115.9 (2) |
C3—Mo1—Mo2—C16 | 22.80 (10) | C1—Mo1—C4—C5 | −36.30 (14) |
C1—Mo1—Mo2—C16 | 87.15 (18) | S1—Mo1—C4—C5 | 78.88 (13) |
C4—Mo1—Mo2—C16 | 57.49 (10) | Fe1—Mo1—C4—C5 | 86.12 (16) |
S1—Mo1—Mo2—C16 | 147.51 (8) | Mo2—Mo1—C4—C5 | 128.97 (13) |
C5—Mo1—Mo2—C16 | 88.66 (10) | C21—Mo1—C4—C6 | −147.64 (19) |
Fe1—Mo1—Mo2—C16 | −150.65 (8) | C22—Mo1—C4—C6 | 96.1 (2) |
C21—Mo1—Mo2—C17 | −56.55 (11) | C2—Mo1—C4—C6 | 160.1 (2) |
C22—Mo1—Mo2—C17 | 23.03 (10) | C3—Mo1—C4—C6 | 122.1 (3) |
C2—Mo1—Mo2—C17 | 97.76 (15) | C1—Mo1—C4—C6 | −158.3 (2) |
C3—Mo1—Mo2—C17 | 108.56 (10) | S1—Mo1—C4—C6 | −43.2 (2) |
C1—Mo1—Mo2—C17 | 172.90 (18) | C5—Mo1—C4—C6 | −122.0 (3) |
C4—Mo1—Mo2—C17 | 143.24 (9) | Fe1—Mo1—C4—C6 | −35.9 (3) |
S1—Mo1—Mo2—C17 | −126.74 (7) | Mo2—Mo1—C4—C6 | 6.9 (2) |
C5—Mo1—Mo2—C17 | 174.41 (10) | C2—C1—C5—C4 | −0.3 (3) |
Fe1—Mo1—Mo2—C17 | −64.90 (7) | Mo1—C1—C5—C4 | −62.66 (16) |
C21—Mo1—Mo2—C13 | −134.1 (3) | C2—C1—C5—Mo1 | 62.34 (17) |
C22—Mo1—Mo2—C13 | −54.5 (3) | C3—C4—C5—C1 | 0.3 (3) |
C2—Mo1—Mo2—C13 | 20.2 (3) | C6—C4—C5—C1 | −174.6 (2) |
C3—Mo1—Mo2—C13 | 31.0 (3) | Mo1—C4—C5—C1 | 62.87 (17) |
C1—Mo1—Mo2—C13 | 95.3 (3) | C3—C4—C5—Mo1 | −62.59 (16) |
C4—Mo1—Mo2—C13 | 65.7 (3) | C6—C4—C5—Mo1 | 122.5 (2) |
S1—Mo1—Mo2—C13 | 155.7 (3) | C21—Mo1—C5—C1 | 45.18 (18) |
C5—Mo1—Mo2—C13 | 96.9 (3) | C22—Mo1—C5—C1 | −52.7 (2) |
Fe1—Mo1—Mo2—C13 | −142.5 (3) | C2—Mo1—C5—C1 | −37.22 (16) |
C21—Mo1—Mo2—C14 | 28.9 (2) | C3—Mo1—C5—C1 | −79.37 (17) |
C22—Mo1—Mo2—C14 | 108.4 (2) | C4—Mo1—C5—C1 | −117.1 (2) |
C2—Mo1—Mo2—C14 | −176.8 (3) | S1—Mo1—C5—C1 | 140.39 (16) |
C3—Mo1—Mo2—C14 | −166.0 (2) | Fe1—Mo1—C5—C1 | 111.79 (15) |
C1—Mo1—Mo2—C14 | −101.7 (3) | Mo2—Mo1—C5—C1 | −178.84 (14) |
C4—Mo1—Mo2—C14 | −131.4 (2) | C21—Mo1—C5—C4 | 162.24 (14) |
S1—Mo1—Mo2—C14 | −41.3 (2) | C22—Mo1—C5—C4 | 64.3 (2) |
C5—Mo1—Mo2—C14 | −100.2 (2) | C2—Mo1—C5—C4 | 79.84 (16) |
Fe1—Mo1—Mo2—C14 | 20.5 (2) | C3—Mo1—C5—C4 | 37.69 (14) |
C21—Mo1—Mo2—C15 | 79.28 (13) | C1—Mo1—C5—C4 | 117.1 (2) |
C22—Mo1—Mo2—C15 | 158.85 (12) | S1—Mo1—C5—C4 | −102.55 (13) |
C2—Mo1—Mo2—C15 | −126.41 (16) | Fe1—Mo1—C5—C4 | −131.15 (12) |
C3—Mo1—Mo2—C15 | −115.61 (12) | Mo2—Mo1—C5—C4 | −61.78 (15) |
C1—Mo1—Mo2—C15 | −51.27 (19) | C3—C4—C6—O8 | −7.9 (4) |
C4—Mo1—Mo2—C15 | −80.93 (11) | C5—C4—C6—O8 | 166.0 (2) |
S1—Mo1—Mo2—C15 | 9.09 (10) | Mo1—C4—C6—O8 | −99.6 (3) |
C5—Mo1—Mo2—C15 | −49.76 (12) | C3—C4—C6—C7 | 175.1 (2) |
Fe1—Mo1—Mo2—C15 | 70.93 (10) | C5—C4—C6—C7 | −11.0 (3) |
C21—Mo1—Mo2—C12 | 170.06 (13) | Mo1—C4—C6—C7 | 83.4 (2) |
C22—Mo1—Mo2—C12 | −110.36 (12) | O8—C6—C7—C8 | 13.0 (4) |
C2—Mo1—Mo2—C12 | −35.62 (16) | C4—C6—C7—C8 | −170.2 (2) |
C3—Mo1—Mo2—C12 | −24.83 (12) | C6—C7—C8—C9 | 64.3 (3) |
C1—Mo1—Mo2—C12 | 39.52 (19) | C7—C8—C9—C10 | 61.0 (3) |
C4—Mo1—Mo2—C12 | 9.85 (11) | C8—C9—C10—O9 | 38.4 (3) |
S1—Mo1—Mo2—C12 | 99.87 (10) | C8—C9—C10—C11 | −142.4 (2) |
C5—Mo1—Mo2—C12 | 41.02 (12) | O9—C10—C11—C12 | 172.0 (2) |
Fe1—Mo1—Mo2—C12 | 161.71 (10) | C9—C10—C11—C12 | −7.2 (4) |
C21—Mo1—Mo2—C11 | 124.96 (11) | O9—C10—C11—C15 | −6.7 (4) |
C22—Mo1—Mo2—C11 | −155.46 (10) | C9—C10—C11—C15 | 174.0 (2) |
C2—Mo1—Mo2—C11 | −80.72 (15) | O9—C10—C11—Mo2 | −96.2 (3) |
C3—Mo1—Mo2—C11 | −69.93 (10) | C9—C10—C11—Mo2 | 84.5 (3) |
C1—Mo1—Mo2—C11 | −5.58 (18) | C16—Mo2—C11—C12 | 53.01 (17) |
C4—Mo1—Mo2—C11 | −35.25 (10) | C17—Mo2—C11—C12 | −52.3 (2) |
S1—Mo1—Mo2—C11 | 54.77 (8) | C13—Mo2—C11—C12 | −36.70 (16) |
C5—Mo1—Mo2—C11 | −4.08 (10) | C14—Mo2—C11—C12 | −78.40 (17) |
Fe1—Mo1—Mo2—C11 | 116.61 (8) | C15—Mo2—C11—C12 | −115.0 (2) |
C21—Mo1—Mo2—S1 | 70.19 (9) | S1—Mo2—C11—C12 | 163.63 (15) |
C22—Mo1—Mo2—S1 | 149.77 (7) | Fe1—Mo2—C11—C12 | −160.90 (12) |
C2—Mo1—Mo2—S1 | −135.50 (13) | Mo1—Mo2—C11—C12 | 125.28 (14) |
C3—Mo1—Mo2—S1 | −124.70 (7) | C16—Mo2—C11—C15 | 168.04 (15) |
C1—Mo1—Mo2—S1 | −60.36 (16) | C17—Mo2—C11—C15 | 62.8 (2) |
C4—Mo1—Mo2—S1 | −90.02 (6) | C13—Mo2—C11—C15 | 78.33 (17) |
C5—Mo1—Mo2—S1 | −58.85 (7) | C14—Mo2—C11—C15 | 36.63 (16) |
Fe1—Mo1—Mo2—S1 | 61.84 (2) | C12—Mo2—C11—C15 | 115.0 (2) |
C21—Mo1—Mo2—Fe1 | 8.35 (8) | S1—Mo2—C11—C15 | −81.34 (15) |
C22—Mo1—Mo2—Fe1 | 87.93 (7) | Fe1—Mo2—C11—C15 | −45.87 (17) |
C2—Mo1—Mo2—Fe1 | 162.67 (13) | Mo1—Mo2—C11—C15 | −119.68 (14) |
C3—Mo1—Mo2—Fe1 | 173.46 (7) | C16—Mo2—C11—C10 | −70.8 (2) |
C1—Mo1—Mo2—Fe1 | −122.19 (16) | C17—Mo2—C11—C10 | −176.04 (19) |
C4—Mo1—Mo2—Fe1 | −151.86 (6) | C13—Mo2—C11—C10 | −160.5 (2) |
S1—Mo1—Mo2—Fe1 | −61.84 (2) | C14—Mo2—C11—C10 | 157.8 (2) |
C5—Mo1—Mo2—Fe1 | −120.69 (7) | C15—Mo2—C11—C10 | 121.2 (3) |
C16—Mo2—Fe1—C18 | −160.12 (11) | C12—Mo2—C11—C10 | −123.8 (3) |
C17—Mo2—Fe1—C18 | −84.56 (11) | S1—Mo2—C11—C10 | 39.8 (2) |
C13—Mo2—Fe1—C18 | −23.85 (13) | Fe1—Mo2—C11—C10 | 75.3 (2) |
C14—Mo2—Fe1—C18 | −3.45 (11) | Mo1—Mo2—C11—C10 | 1.5 (2) |
C15—Mo2—Fe1—C18 | 32.07 (11) | C15—C11—C12—C13 | −0.5 (3) |
C12—Mo2—Fe1—C18 | 25.2 (2) | C10—C11—C12—C13 | −179.5 (2) |
C11—Mo2—Fe1—C18 | 57.15 (11) | Mo2—C11—C12—C13 | 63.19 (18) |
S1—Mo2—Fe1—C18 | 107.20 (8) | C15—C11—C12—Mo2 | −63.70 (16) |
Mo1—Mo2—Fe1—C18 | 169.40 (8) | C10—C11—C12—Mo2 | 117.4 (2) |
C16—Mo2—Fe1—C20 | −63.84 (12) | C16—Mo2—C12—C13 | 113.97 (19) |
C17—Mo2—Fe1—C20 | 11.72 (12) | C17—Mo2—C12—C13 | 30.6 (2) |
C13—Mo2—Fe1—C20 | 72.43 (14) | C14—Mo2—C12—C13 | −37.61 (18) |
C14—Mo2—Fe1—C20 | 92.82 (12) | C15—Mo2—C12—C13 | −78.71 (19) |
C15—Mo2—Fe1—C20 | 128.34 (12) | C11—Mo2—C12—C13 | −116.8 (2) |
C12—Mo2—Fe1—C20 | 121.5 (2) | S1—Mo2—C12—C13 | −136.96 (16) |
C11—Mo2—Fe1—C20 | 153.42 (12) | Fe1—Mo2—C12—C13 | −70.8 (3) |
S1—Mo2—Fe1—C20 | −156.52 (9) | Mo1—Mo2—C12—C13 | 157.10 (14) |
Mo1—Mo2—Fe1—C20 | −94.32 (9) | C16—Mo2—C12—C11 | −129.20 (16) |
C16—Mo2—Fe1—C19 | 114.78 (18) | C17—Mo2—C12—C11 | 147.40 (15) |
C17—Mo2—Fe1—C19 | −169.66 (18) | C13—Mo2—C12—C11 | 116.8 (2) |
C13—Mo2—Fe1—C19 | −108.9 (2) | C14—Mo2—C12—C11 | 79.23 (17) |
C14—Mo2—Fe1—C19 | −88.55 (19) | C15—Mo2—C12—C11 | 38.12 (15) |
C15—Mo2—Fe1—C19 | −53.04 (18) | S1—Mo2—C12—C11 | −20.12 (18) |
C12—Mo2—Fe1—C19 | −59.9 (2) | Fe1—Mo2—C12—C11 | 46.1 (3) |
C11—Mo2—Fe1—C19 | −27.96 (19) | Mo1—Mo2—C12—C11 | −86.07 (17) |
S1—Mo2—Fe1—C19 | 22.10 (17) | C11—C12—C13—C14 | 0.8 (3) |
Mo1—Mo2—Fe1—C19 | 84.30 (17) | Mo2—C12—C13—C14 | 64.63 (18) |
C16—Mo2—Fe1—S1 | 92.68 (8) | C11—C12—C13—Mo2 | −63.81 (17) |
C17—Mo2—Fe1—S1 | 168.24 (8) | C16—Mo2—C13—C12 | −66.36 (19) |
C13—Mo2—Fe1—S1 | −131.05 (11) | C17—Mo2—C13—C12 | −152.51 (19) |
C14—Mo2—Fe1—S1 | −110.65 (8) | C14—Mo2—C13—C12 | 116.1 (3) |
C15—Mo2—Fe1—S1 | −75.14 (8) | C15—Mo2—C13—C12 | 78.94 (18) |
C12—Mo2—Fe1—S1 | −82.00 (18) | C11—Mo2—C13—C12 | 37.04 (16) |
C11—Mo2—Fe1—S1 | −50.05 (8) | S1—Mo2—C13—C12 | 73.6 (2) |
Mo1—Mo2—Fe1—S1 | 62.20 (2) | Fe1—Mo2—C13—C12 | 151.92 (13) |
C16—Mo2—Fe1—Mo1 | 30.48 (8) | Mo1—Mo2—C13—C12 | −74.0 (3) |
C17—Mo2—Fe1—Mo1 | 106.04 (8) | C16—Mo2—C13—C14 | 177.54 (17) |
C13—Mo2—Fe1—Mo1 | 166.75 (10) | C17—Mo2—C13—C14 | 91.39 (18) |
C14—Mo2—Fe1—Mo1 | −172.86 (8) | C15—Mo2—C13—C14 | −37.16 (17) |
C15—Mo2—Fe1—Mo1 | −137.34 (7) | C12—Mo2—C13—C14 | −116.1 (3) |
C12—Mo2—Fe1—Mo1 | −144.21 (18) | C11—Mo2—C13—C14 | −79.06 (18) |
C11—Mo2—Fe1—Mo1 | −112.26 (8) | S1—Mo2—C13—C14 | −42.5 (2) |
S1—Mo2—Fe1—Mo1 | −62.20 (2) | Fe1—Mo2—C13—C14 | 35.8 (2) |
C21—Mo1—Fe1—C18 | 167.10 (18) | Mo1—Mo2—C13—C14 | 169.9 (2) |
C22—Mo1—Fe1—C18 | −107.62 (17) | C12—C13—C14—C15 | −0.8 (3) |
C2—Mo1—Fe1—C18 | −179.6 (2) | Mo2—C13—C14—C15 | 64.46 (18) |
C3—Mo1—Fe1—C18 | −49.7 (3) | C12—C13—C14—Mo2 | −65.27 (18) |
C1—Mo1—Fe1—C18 | 128.16 (18) | C16—Mo2—C14—C15 | −119.11 (18) |
C4—Mo1—Fe1—C18 | 32.51 (19) | C17—Mo2—C14—C15 | 158.44 (17) |
S1—Mo1—Fe1—C18 | 42.07 (16) | C13—Mo2—C14—C15 | −115.8 (2) |
C5—Mo1—Fe1—C18 | 81.46 (17) | C12—Mo2—C14—C15 | −78.77 (17) |
Mo2—Mo1—Fe1—C18 | −21.02 (16) | C11—Mo2—C14—C15 | −37.34 (15) |
C21—Mo1—Fe1—C20 | −63.53 (11) | S1—Mo2—C14—C15 | 38.61 (18) |
C22—Mo1—Fe1—C20 | 21.75 (10) | Fe1—Mo2—C14—C15 | 89.68 (16) |
C2—Mo1—Fe1—C20 | −50.25 (18) | Mo1—Mo2—C14—C15 | 72.0 (3) |
C3—Mo1—Fe1—C20 | 79.7 (3) | C16—Mo2—C14—C13 | −3.3 (2) |
C1—Mo1—Fe1—C20 | −102.46 (12) | C17—Mo2—C14—C13 | −85.79 (17) |
C4—Mo1—Fe1—C20 | 161.88 (13) | C15—Mo2—C14—C13 | 115.8 (2) |
S1—Mo1—Fe1—C20 | 171.45 (8) | C12—Mo2—C14—C13 | 37.00 (16) |
C5—Mo1—Fe1—C20 | −149.17 (11) | C11—Mo2—C14—C13 | 78.44 (17) |
Mo2—Mo1—Fe1—C20 | 108.35 (8) | S1—Mo2—C14—C13 | 154.38 (15) |
C21—Mo1—Fe1—C19 | 36.65 (11) | Fe1—Mo2—C14—C13 | −154.55 (15) |
C22—Mo1—Fe1—C19 | 121.93 (10) | Mo1—Mo2—C14—C13 | −172.19 (16) |
C2—Mo1—Fe1—C19 | 49.94 (18) | C13—C14—C15—C11 | 0.5 (3) |
C3—Mo1—Fe1—C19 | 179.9 (3) | Mo2—C14—C15—C11 | 64.56 (17) |
C1—Mo1—Fe1—C19 | −2.28 (12) | C13—C14—C15—Mo2 | −64.08 (18) |
C4—Mo1—Fe1—C19 | −97.93 (13) | C12—C11—C15—C14 | 0.0 (3) |
S1—Mo1—Fe1—C19 | −88.37 (8) | C10—C11—C15—C14 | 179.0 (2) |
C5—Mo1—Fe1—C19 | −48.98 (11) | Mo2—C11—C15—C14 | −64.21 (18) |
Mo2—Mo1—Fe1—C19 | −151.46 (8) | C12—C11—C15—Mo2 | 64.23 (16) |
C21—Mo1—Fe1—S1 | 125.02 (9) | C10—C11—C15—Mo2 | −116.8 (2) |
C22—Mo1—Fe1—S1 | −149.70 (7) | C16—Mo2—C15—C14 | 98.7 (2) |
C2—Mo1—Fe1—S1 | 138.31 (16) | C17—Mo2—C15—C14 | −24.7 (2) |
C3—Mo1—Fe1—S1 | −91.7 (3) | C13—Mo2—C15—C14 | 37.79 (17) |
C1—Mo1—Fe1—S1 | 86.09 (10) | C12—Mo2—C15—C14 | 78.95 (18) |
C4—Mo1—Fe1—S1 | −9.56 (10) | C11—Mo2—C15—C14 | 116.7 (2) |
C5—Mo1—Fe1—S1 | 39.39 (8) | S1—Mo2—C15—C14 | −145.31 (16) |
Mo2—Mo1—Fe1—S1 | −63.09 (2) | Fe1—Mo2—C15—C14 | −98.19 (16) |
C21—Mo1—Fe1—Mo2 | −171.89 (8) | Mo1—Mo2—C15—C14 | −152.22 (14) |
C22—Mo1—Fe1—Mo2 | −86.61 (7) | C16—Mo2—C15—C11 | −18.0 (2) |
C2—Mo1—Fe1—Mo2 | −158.60 (16) | C17—Mo2—C15—C11 | −141.41 (15) |
C3—Mo1—Fe1—Mo2 | −28.6 (3) | C13—Mo2—C15—C11 | −78.93 (17) |
C1—Mo1—Fe1—Mo2 | 149.18 (9) | C14—Mo2—C15—C11 | −116.7 (2) |
C4—Mo1—Fe1—Mo2 | 53.53 (10) | C12—Mo2—C15—C11 | −37.77 (14) |
S1—Mo1—Fe1—Mo2 | 63.09 (2) | S1—Mo2—C15—C11 | 97.97 (14) |
C5—Mo1—Fe1—Mo2 | 102.48 (8) | Fe1—Mo2—C15—C11 | 145.10 (13) |
C21—Mo1—C1—C5 | −135.31 (17) | Mo1—Mo2—C15—C11 | 91.07 (15) |
C22—Mo1—C1—C5 | 148.02 (15) | C17—Mo2—C16—O6 | 79.6 (10) |
C2—Mo1—C1—C5 | 117.0 (2) | C13—Mo2—C16—O6 | −4.6 (10) |
C3—Mo1—C1—C5 | 79.12 (16) | C14—Mo2—C16—O6 | −2.7 (10) |
C4—Mo1—C1—C5 | 37.23 (15) | C15—Mo2—C16—O6 | −53.2 (10) |
S1—Mo1—C1—C5 | −44.49 (17) | C12—Mo2—C16—O6 | −36.3 (10) |
Fe1—Mo1—C1—C5 | −100.32 (15) | C11—Mo2—C16—O6 | −63.9 (10) |
Mo2—Mo1—C1—C5 | 2.3 (3) | S1—Mo2—C16—O6 | −161.2 (10) |
C21—Mo1—C1—C2 | 107.66 (17) | Fe1—Mo2—C16—O6 | 145.6 (10) |
C22—Mo1—C1—C2 | 31.00 (19) | Mo1—Mo2—C16—O6 | 173.2 (10) |
C3—Mo1—C1—C2 | −37.90 (16) | C16—Mo2—C17—O7 | −88.8 (12) |
C4—Mo1—C1—C2 | −79.80 (17) | C13—Mo2—C17—O7 | 9.3 (12) |
S1—Mo1—C1—C2 | −161.51 (14) | C14—Mo2—C17—O7 | 44.7 (12) |
C5—Mo1—C1—C2 | −117.0 (2) | C15—Mo2—C17—O7 | 58.5 (12) |
Fe1—Mo1—C1—C2 | 142.66 (14) | C12—Mo2—C17—O7 | −7.6 (12) |
Mo2—Mo1—C1—C2 | −114.71 (18) | C11—Mo2—C17—O7 | 22.6 (12) |
C5—C1—C2—C3 | 0.2 (3) | S1—Mo2—C17—O7 | 160.8 (11) |
Mo1—C1—C2—C3 | 64.57 (17) | Fe1—Mo2—C17—O7 | 150.7 (12) |
C5—C1—C2—Mo1 | −64.33 (18) | Mo1—Mo2—C17—O7 | −155.4 (12) |
C21—Mo1—C2—C1 | −69.14 (17) | C22—Mo1—C21—O2 | 95.5 (10) |
C22—Mo1—C2—C1 | −152.77 (17) | C2—Mo1—C21—O2 | 9.2 (10) |
C3—Mo1—C2—C1 | 115.8 (2) | C3—Mo1—C21—O2 | 12.8 (10) |
C4—Mo1—C2—C1 | 77.98 (16) | C1—Mo1—C21—O2 | −24.3 (10) |
S1—Mo1—C2—C1 | 32.0 (2) | C4—Mo1—C21—O2 | −33.6 (11) |
C5—Mo1—C2—C1 | 36.34 (15) | S1—Mo1—C21—O2 | −138.3 (10) |
Fe1—Mo1—C2—C1 | −81.0 (2) | C5—Mo1—C21—O2 | −48.5 (10) |
Mo2—Mo1—C2—C1 | 133.01 (15) | Fe1—Mo1—C21—O2 | −176.6 (10) |
C21—Mo1—C2—C3 | 175.10 (16) | C18—Fe1—S1—Mo1 | −159.60 (8) |
C22—Mo1—C2—C3 | 91.48 (16) | C20—Fe1—S1—Mo1 | −20.5 (2) |
C1—Mo1—C2—C3 | −115.8 (2) | C19—Fe1—S1—Mo1 | 106.12 (8) |
C4—Mo1—C2—C3 | −37.77 (14) | Mo2—Fe1—S1—Mo1 | −83.877 (17) |
S1—Mo1—C2—C3 | −83.8 (2) | C18—Fe1—S1—Mo2 | −75.73 (8) |
C5—Mo1—C2—C3 | −79.42 (16) | C20—Fe1—S1—Mo2 | 63.4 (2) |
Fe1—Mo1—C2—C3 | 163.24 (12) | C19—Fe1—S1—Mo2 | −170.00 (8) |
Mo2—Mo1—C2—C3 | 17.3 (2) | Mo1—Fe1—S1—Mo2 | 83.877 (17) |
C1—C2—C3—C4 | −0.1 (3) | C21—Mo1—S1—Fe1 | −47.41 (8) |
Mo1—C2—C3—C4 | 65.74 (16) | C22—Mo1—S1—Fe1 | 38.73 (9) |
C1—C2—C3—Mo1 | −65.80 (18) | C2—Mo1—S1—Fe1 | −147.13 (14) |
C21—Mo1—C3—C2 | −6.1 (2) | C3—Mo1—S1—Fe1 | 163.25 (8) |
C22—Mo1—C3—C2 | −86.67 (16) | C1—Mo1—S1—Fe1 | −127.44 (8) |
C1—Mo1—C3—C2 | 37.45 (15) | C4—Mo1—S1—Fe1 | 174.45 (6) |
C4—Mo1—C3—C2 | 115.5 (2) | C5—Mo1—S1—Fe1 | −150.87 (6) |
S1—Mo1—C3—C2 | 134.83 (14) | Mo2—Mo1—S1—Fe1 | 77.317 (19) |
C5—Mo1—C3—C2 | 77.98 (16) | C21—Mo1—S1—Mo2 | −124.72 (8) |
Fe1—Mo1—C3—C2 | −144.4 (2) | C22—Mo1—S1—Mo2 | −38.59 (9) |
Mo2—Mo1—C3—C2 | −169.97 (14) | C2—Mo1—S1—Mo2 | 135.55 (14) |
C21—Mo1—C3—C4 | −121.54 (15) | C3—Mo1—S1—Mo2 | 85.93 (9) |
C22—Mo1—C3—C4 | 157.87 (15) | C1—Mo1—S1—Mo2 | 155.24 (8) |
C2—Mo1—C3—C4 | −115.5 (2) | C4—Mo1—S1—Mo2 | 97.14 (6) |
C1—Mo1—C3—C4 | −78.01 (15) | C5—Mo1—S1—Mo2 | 131.81 (6) |
S1—Mo1—C3—C4 | 19.37 (17) | Fe1—Mo1—S1—Mo2 | −77.317 (19) |
C5—Mo1—C3—C4 | −37.48 (14) | C16—Mo2—S1—Fe1 | −109.87 (7) |
Fe1—Mo1—C3—C4 | 100.2 (3) | C17—Mo2—S1—Fe1 | −12.62 (8) |
Mo2—Mo1—C3—C4 | 74.57 (14) | C13—Mo2—S1—Fe1 | 112.61 (13) |
C2—C3—C4—C5 | −0.1 (3) | C14—Mo2—S1—Fe1 | 87.20 (8) |
Mo1—C3—C4—C5 | 64.34 (16) | C15—Mo2—S1—Fe1 | 108.08 (7) |
C2—C3—C4—C6 | 174.6 (2) | C12—Mo2—S1—Fe1 | 154.54 (8) |
Mo1—C3—C4—C6 | −120.9 (2) | C11—Mo2—S1—Fe1 | 143.13 (6) |
C2—C3—C4—Mo1 | −64.47 (17) | Mo1—Mo2—S1—Fe1 | −78.31 (2) |
C21—Mo1—C4—C3 | 90.26 (18) | C16—Mo2—S1—Mo1 | −31.56 (7) |
C22—Mo1—C4—C3 | −25.95 (18) | C17—Mo2—S1—Mo1 | 65.70 (8) |
C2—Mo1—C4—C3 | 37.97 (15) | C13—Mo2—S1—Mo1 | −169.08 (13) |
C1—Mo1—C4—C3 | 79.57 (16) | C14—Mo2—S1—Mo1 | 165.51 (8) |
S1—Mo1—C4—C3 | −165.25 (13) | C15—Mo2—S1—Mo1 | −173.61 (7) |
C5—Mo1—C4—C3 | 115.9 (2) | C12—Mo2—S1—Mo1 | −127.15 (8) |
Fe1—Mo1—C4—C3 | −158.01 (12) | C11—Mo2—S1—Mo1 | −138.56 (6) |
Mo2—Mo1—C4—C3 | −115.16 (14) | Fe1—Mo2—S1—Mo1 | 78.31 (2) |
C21—Mo1—C4—C5 | −25.6 (2) |