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metal-organic compounds
The reaction of bis[cyclopentadienyltricarbonylmolybdenum(I)] with dibenzyl trisulfide affords the title compound, [Mo2S(C5H5)2(C7H7S)2(CO)2], as one of the products. Three independent molecules exist in the asymmetric unit of the triclinic unit cell; one is related to another by a false inversion center and is related to the third by a false translation. In each dinuclear entity, each Mo atom is bonded to a cyclopentadienyl anion and a carbon monoxide molecule; the phenylmethanethiolate groups bridge a pair of Mo atoms, as does the sulfide atom.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804009948/bt6454sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804009948/bt6454Isup2.hkl |
CCDC reference: 239114
Key indicators
- Single-crystal X-ray study
- T = 223 K
- Mean (C-C) = 0.010 Å
- R factor = 0.066
- wR factor = 0.216
- Data-to-parameter ratio = 22.2
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT733_ALERT_1_B Torsion Calc 117.2(5), Rep 117.20(10) ...... 5.00 su-Rat C5A -MO1A-C1A -C2A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -117.2(5), Rep -117.20(10) ...... 5.00 su-Rat C2A -MO1A-C1A -C5A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -116.7(5), Rep -116.70(10) ...... 5.00 su-Rat C3A -MO1A-C2A -C1A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 116.7(5), Rep 116.70(10) ...... 5.00 su-Rat C1A -MO1A-C2A -C3A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -115.7(5), Rep -115.80(10) ...... 5.00 su-Rat C4A -MO1A-C3A -C2A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 37.7(4), Rep 37.70(8) ...... 5.00 su-Rat C5A -MO1A-C3A -C4A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 115.7(5), Rep 115.80(10) ...... 5.00 su-Rat C2A -MO1A-C3A -C4A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 115.6(5), Rep 115.60(10) ...... 5.00 su-Rat C3A -MO1A-C4A -C5A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 37.0(4), Rep 36.97(8) ...... 5.00 su-Rat C1A -MO1A-C4A -C5A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -115.6(5), Rep -115.60(10) ...... 5.00 su-Rat C5A -MO1A-C4A -C3A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -116.5(5), Rep -116.50(10) ...... 5.00 su-Rat C1A -MO1A-C5A -C4A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 116.5(5), Rep 116.50(10) ...... 5.00 su-Rat C4A -MO1A-C5A -C1A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 117.2(5), Rep 117.30(10) ...... 5.00 su-Rat C10A-MO2A-C6A -C7A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -117.2(5), Rep -117.30(10) ...... 5.00 su-Rat C7A -MO2A-C6A -C10A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -116.7(5), Rep -116.70(10) ...... 5.00 su-Rat C8A -MO2A-C7A -C6A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 116.7(5), Rep 116.70(10) ...... 5.00 su-Rat C6A -MO2A-C7A -C8A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 115.8(5), Rep 115.70(10) ...... 5.00 su-Rat C7A -MO2A-C8A -C9A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -115.8(5), Rep -115.70(10) ...... 5.00 su-Rat C9A -MO2A-C8A -C7A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -115.5(5), Rep -115.60(10) ...... 5.00 su-Rat C10A-MO2A-C9A -C8A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 115.5(5), Rep 115.60(10) ...... 5.00 su-Rat C8A -MO2A-C9A -C10A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 116.5(5), Rep 116.50(10) ...... 5.00 su-Rat C9A -MO2A-C10A-C6A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -116.5(5), Rep -116.50(10) ...... 5.00 su-Rat C6A -MO2A-C10A-C9A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 117.0(5), Rep 117.00(10) ...... 5.00 su-Rat C2B -MO1B-C1B -C5B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -117.0(5), Rep -117.00(10) ...... 5.00 su-Rat C5B -MO1B-C1B -C2B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 116.2(5), Rep 116.10(10) ...... 5.00 su-Rat C3B -MO1B-C2B -C1B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -37.9(4), Rep -37.92(8) ...... 5.00 su-Rat C4B -MO1B-C2B -C3B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -116.2(5), Rep -116.10(10) ...... 5.00 su-Rat C1B -MO1B-C2B -C3B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -115.5(5), Rep -115.60(10) ...... 5.00 su-Rat C2B -MO1B-C3B -C4B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 115.5(5), Rep 115.60(10) ...... 5.00 su-Rat C4B -MO1B-C3B -C2B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -116.1(5), Rep -116.00(10) ...... 5.00 su-Rat C3B -MO1B-C4B -C5B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 116.0(5), Rep 116.00(10) ...... 5.00 su-Rat C5B -MO1B-C4B -C3B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -116.9(5), Rep -116.90(10) ...... 5.00 su-Rat C4B -MO1B-C5B -C1B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 116.9(5), Rep 116.90(10) ...... 5.00 su-Rat C1B -MO1B-C5B -C4B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 117.2(5), Rep 117.20(10) ...... 5.00 su-Rat C10B-MO2B-C6B -C7B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -117.2(5), Rep -117.20(10) ...... 5.00 su-Rat C7B -MO2B-C6B -C10B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -116.9(5), Rep -116.90(10) ...... 5.00 su-Rat C8B -MO2B-C7B -C6B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 116.9(5), Rep 116.90(10) ...... 5.00 su-Rat C6B -MO2B-C7B -C8B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 115.8(5), Rep 115.90(10) ...... 5.00 su-Rat C7B -MO2B-C8B -C9B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -115.8(5), Rep -115.90(10) ...... 5.00 su-Rat C9B -MO2B-C8B -C7B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -115.6(5), Rep -115.50(10) ...... 5.00 su-Rat C10B-MO2B-C9B -C8B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 115.6(5), Rep 115.50(10) ...... 5.00 su-Rat C8B -MO2B-C9B -C10B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -116.3(5), Rep -116.20(10) ...... 5.00 su-Rat C6B -MO2B-C10B-C9B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 116.3(5), Rep 116.20(10) ...... 5.00 su-Rat C9B -MO2B-C10B-C6B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -117.3(5), Rep -117.30(10) ...... 5.00 su-Rat C2C -MO1C-C1C -C5C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 117.3(5), Rep 117.30(10) ...... 5.00 su-Rat C5C -MO1C-C1C -C2C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 116.4(5), Rep 116.40(10) ...... 5.00 su-Rat C1C -MO1C-C2C -C3C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -116.4(5), Rep -116.40(10) ...... 5.00 su-Rat C3C -MO1C-C2C -C1C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 115.4(5), Rep 115.50(10) ...... 5.00 su-Rat C2C -MO1C-C3C -C4C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -115.4(5), Rep -115.50(10) ...... 5.00 su-Rat C4C -MO1C-C3C -C2C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 115.8(5), Rep 115.80(10) ...... 5.00 su-Rat C3C -MO1C-C4C -C5C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -115.8(5), Rep -115.80(10) ...... 5.00 su-Rat C5C -MO1C-C4C -C3C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -116.9(5), Rep -116.90(10) ...... 5.00 su-Rat C1C -MO1C-C5C -C4C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 116.9(5), Rep 116.90(10) ...... 5.00 su-Rat C4C -MO1C-C5C -C1C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -117.1(5), Rep -117.10(10) ...... 5.00 su-Rat C7C -MO2C-C6C -C10C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 117.1(5), Rep 117.10(10) ...... 5.00 su-Rat C10C-MO2C-C6C -C7C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 116.4(5), Rep 116.30(10) ...... 5.00 su-Rat C6C -MO2C-C7C -C8C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -116.4(5), Rep -116.30(10) ...... 5.00 su-Rat C8C -MO2C-C7C -C6C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 115.6(5), Rep 115.60(10) ...... 5.00 su-Rat C7C -MO2C-C8C -C9C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -115.6(5), Rep -115.60(10) ...... 5.00 su-Rat C9C -MO2C-C8C -C7C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc -115.9(5), Rep -115.90(10) ...... 5.00 su-Rat C10C-MO2C-C9C -C8C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_B Torsion Calc 115.9(5), Rep 115.90(10) ...... 5.00 su-Rat C8C -MO2C-C9C -C10C 1.555 1.555 1.555 1.555
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.98 PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms ..... 66 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.70 Ratio PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.00 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for O2A - C12A .. 6.56 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Mo2A - C12A .. 8.94 su PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C14C PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 10 PLAT732_ALERT_1_C Angle Calc 35.6(2), Rep 35.65(7) ...... 2.86 su-Rat C4C -MO1C -C5C 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 79.6(4), Rep 79.60(10) ...... 4.00 su-Rat C4A -MO1A-C1A -C2A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 37.4(3), Rep 37.40(10) ...... 3.00 su-Rat C3A -MO1A-C1A -C2A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -37.6(4), Rep -37.60(10) ...... 4.00 su-Rat C4A -MO1A-C1A -C5A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -79.9(4), Rep -79.80(10) ...... 4.00 su-Rat C3A -MO1A-C1A -C5A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 62.3(5), Rep 62.3(2) ...... 2.50 su-Rat C5A -C1A -C2A -MO1A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -78.7(4), Rep -78.70(10) ...... 4.00 su-Rat C4A -MO1A-C2A -C1A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -36.8(4), Rep -36.80(10) ...... 4.00 su-Rat C5A -MO1A-C2A -C1A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 38.0(4), Rep 38.00(10) ...... 4.00 su-Rat C4A -MO1A-C2A -C3A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 79.9(4), Rep 79.90(10) ...... 4.00 su-Rat C5A -MO1A-C2A -C3A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -78.0(4), Rep -78.10(10) ...... 4.00 su-Rat C5A -MO1A-C3A -C2A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -36.9(3), Rep -36.90(10) ...... 3.00 su-Rat C1A -MO1A-C3A -C2A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 78.9(4), Rep 78.90(10) ...... 4.00 su-Rat C1A -MO1A-C3A -C4A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 78.1(4), Rep 78.10(10) ...... 4.00 su-Rat C2A -MO1A-C4A -C5A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -37.6(3), Rep -37.50(10) ...... 3.00 su-Rat C2A -MO1A-C4A -C3A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -78.7(4), Rep -78.70(10) ...... 4.00 su-Rat C1A -MO1A-C4A -C3A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 64.5(5), Rep 64.5(2) ...... 2.50 su-Rat C3A -C4A -C5A -MO1A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -62.6(5), Rep -62.6(2) ...... 2.50 su-Rat C2A -C1A -C5A -MO1A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -38.0(3), Rep -38.00(10) ...... 3.00 su-Rat C3A -MO1A-C5A -C4A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -79.7(3), Rep -79.70(10) ...... 3.00 su-Rat C2A -MO1A-C5A -C4A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 78.5(4), Rep 78.50(10) ...... 4.00 su-Rat C3A -MO1A-C5A -C1A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 36.7(4), Rep 36.70(10) ...... 4.00 su-Rat C2A -MO1A-C5A -C1A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 79.7(4), Rep 79.70(10) ...... 4.00 su-Rat C9A -MO2A-C6A -C7A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 37.3(3), Rep 37.40(10) ...... 3.00 su-Rat C8A -MO2A-C6A -C7A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -37.6(3), Rep -37.60(10) ...... 3.00 su-Rat C9A -MO2A-C6A -C10A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -79.9(3), Rep -79.90(10) ...... 3.00 su-Rat C8A -MO2A-C6A -C10A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -78.7(4), Rep -78.70(10) ...... 4.00 su-Rat C9A -MO2A-C7A -C6A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -36.8(3), Rep -36.80(10) ...... 3.00 su-Rat C10A-MO2A-C7A -C6A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 38.0(3), Rep 38.03(8) ...... 3.75 su-Rat C9A -MO2A-C7A -C8A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 80.0(4), Rep 80.00(10) ...... 4.00 su-Rat C10A-MO2A-C7A -C8A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 37.8(3), Rep 37.70(10) ...... 3.00 su-Rat C10A-MO2A-C8A -C9A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 79.0(4), Rep 78.90(10) ...... 4.00 su-Rat C6A -MO2A-C8A -C9A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -78.0(4), Rep -78.00(10) ...... 4.00 su-Rat C10A-MO2A-C8A -C7A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -36.8(3), Rep -36.80(8) ...... 3.75 su-Rat C6A -MO2A-C8A -C7A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -37.5(3), Rep -37.60(10) ...... 3.00 su-Rat C7A -MO2A-C9A -C8A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -78.6(4), Rep -78.60(10) ...... 4.00 su-Rat C6A -MO2A-C9A -C8A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 78.0(4), Rep 78.00(10) ...... 4.00 su-Rat C7A -MO2A-C9A -C10A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 36.9(3), Rep 37.00(10) ...... 3.00 su-Rat C6A -MO2A-C9A -C10A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 78.4(4), Rep 78.40(10) ...... 4.00 su-Rat C8A -MO2A-C10A-C6A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 36.7(3), Rep 36.70(10) ...... 3.00 su-Rat C7A -MO2A-C10A-C6A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -38.1(3), Rep -38.10(10) ...... 3.00 su-Rat C8A -MO2A-C10A-C9A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -79.8(4), Rep -79.80(10) ...... 4.00 su-Rat C7A -MO2A-C10A-C9A 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 79.3(4), Rep 79.20(10) ...... 4.00 su-Rat C3B -MO1B-C1B -C5B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 37.2(4), Rep 37.10(10) ...... 4.00 su-Rat C4B -MO1B-C1B -C5B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -37.8(3), Rep -37.80(10) ...... 3.00 su-Rat C3B -MO1B-C1B -C2B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -79.9(4), Rep -79.90(10) ...... 4.00 su-Rat C4B -MO1B-C1B -C2B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -63.3(5), Rep -63.2(2) ...... 2.50 su-Rat C5B -C1B -C2B -MO1B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 78.2(4), Rep 78.20(10) ...... 4.00 su-Rat C4B -MO1B-C2B -C1B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 36.7(4), Rep 36.70(10) ...... 4.00 su-Rat C5B -MO1B-C2B -C1B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -79.4(4), Rep -79.40(10) ...... 4.00 su-Rat C5B -MO1B-C2B -C3B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -37.3(4), Rep -37.30(10) ...... 4.00 su-Rat C5B -MO1B-C3B -C4B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -78.3(4), Rep -78.40(10) ...... 4.00 su-Rat C1B -MO1B-C3B -C4B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 78.2(4), Rep 78.30(10) ...... 4.00 su-Rat C5B -MO1B-C3B -C2B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 37.2(3), Rep 37.20(10) ...... 3.00 su-Rat C1B -MO1B-C3B -C2B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -78.2(4), Rep -78.10(10) ...... 4.00 su-Rat C2B -MO1B-C4B -C5B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -36.8(4), Rep -36.80(10) ...... 4.00 su-Rat C1B -MO1B-C4B -C5B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 37.9(3), Rep 37.87(8) ...... 3.75 su-Rat C2B -MO1B-C4B -C3B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 79.3(4), Rep 79.30(10) ...... 4.00 su-Rat C1B -MO1B-C4B -C3B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -79.1(4), Rep -79.10(10) ...... 4.00 su-Rat C3B -MO1B-C5B -C1B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -37.0(4), Rep -37.00(10) ...... 4.00 su-Rat C2B -MO1B-C5B -C1B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 37.8(3), Rep 37.80(10) ...... 3.00 su-Rat C3B -MO1B-C5B -C4B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 79.9(3), Rep 79.90(10) ...... 3.00 su-Rat C2B -MO1B-C5B -C4B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 79.4(3), Rep 79.40(10) ...... 3.00 su-Rat C9B -MO2B-C6B -C7B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 37.2(3), Rep 37.20(10) ...... 3.00 su-Rat C8B -MO2B-C6B -C7B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -37.7(4), Rep -37.70(10) ...... 4.00 su-Rat C9B -MO2B-C6B -C10B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -80.0(4), Rep -80.00(10) ...... 4.00 su-Rat C8B -MO2B-C6B -C10B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -79.0(4), Rep -79.00(10) ...... 4.00 su-Rat C9B -MO2B-C7B -C6B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -36.9(4), Rep -36.90(10) ...... 4.00 su-Rat C10B-MO2B-C7B -C6B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 38.0(3), Rep 37.96(8) ...... 3.75 su-Rat C9B -MO2B-C7B -C8B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 80.0(4), Rep 80.00(10) ...... 4.00 su-Rat C10B-MO2B-C7B -C8B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 63.6(5), Rep 63.6(2) ...... 2.50 su-Rat C6B -C7B -C8B -MO2B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 37.8(3), Rep 37.90(10) ...... 3.00 su-Rat C10B-MO2B-C8B -C9B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 79.1(4), Rep 79.20(10) ...... 4.00 su-Rat C6B -MO2B-C8B -C9B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -78.0(4), Rep -78.00(10) ...... 4.00 su-Rat C10B-MO2B-C8B -C7B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -36.7(4), Rep -36.70(10) ...... 4.00 su-Rat C6B -MO2B-C8B -C7B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -37.5(4), Rep -37.40(10) ...... 4.00 su-Rat C7B -MO2B-C9B -C8B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -78.5(4), Rep -78.40(10) ...... 4.00 su-Rat C6B -MO2B-C9B -C8B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 78.1(4), Rep 78.10(10) ...... 4.00 su-Rat C7B -MO2B-C9B -C10B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 37.1(4), Rep 37.10(10) ...... 4.00 su-Rat C6B -MO2B-C9B -C10B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -38.0(3), Rep -38.02(8) ...... 3.75 su-Rat C8B -MO2B-C10B-C9B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -79.6(4), Rep -79.60(10) ...... 4.00 su-Rat C7B -MO2B-C10B-C9B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 78.3(4), Rep 78.20(10) ...... 4.00 su-Rat C8B -MO2B-C10B-C6B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 36.7(4), Rep 36.70(10) ...... 4.00 su-Rat C7B -MO2B-C10B-C6B 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -79.7(4), Rep -79.70(10) ...... 4.00 su-Rat C3C -MO1C-C1C -C5C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -37.3(3), Rep -37.30(10) ...... 3.00 su-Rat C4C -MO1C-C1C -C5C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 37.7(3), Rep 37.70(10) ...... 3.00 su-Rat C3C -MO1C-C1C -C2C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 80.1(4), Rep 80.10(10) ...... 4.00 su-Rat C4C -MO1C-C1C -C2C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 62.5(5), Rep 62.5(2) ...... 2.50 su-Rat C5C -C1C -C2C -MO1C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 38.2(3), Rep 38.12(8) ...... 3.75 su-Rat C4C -MO1C-C2C -C3C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 79.8(4), Rep 79.80(10) ...... 4.00 su-Rat C5C -MO1C-C2C -C3C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -78.3(4), Rep -78.30(10) ...... 4.00 su-Rat C4C -MO1C-C2C -C1C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -36.6(4), Rep -36.60(10) ...... 4.00 su-Rat C5C -MO1C-C2C -C1C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 37.4(3), Rep 37.50(10) ...... 3.00 su-Rat C5C -MO1C-C3C -C4C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 78.5(4), Rep 78.50(10) ...... 4.00 su-Rat C1C -MO1C-C3C -C4C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -78.0(4), Rep -78.00(10) ...... 4.00 su-Rat C5C -MO1C-C3C -C2C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -37.0(3), Rep -37.00(10) ...... 3.00 su-Rat C1C -MO1C-C3C -C2C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 78.0(4), Rep 77.90(10) ...... 4.00 su-Rat C2C -MO1C-C4C -C5C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 36.8(4), Rep 36.70(10) ...... 4.00 su-Rat C1C -MO1C-C4C -C5C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -37.9(3), Rep -37.90(10) ...... 3.00 su-Rat C2C -MO1C-C4C -C3C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -79.1(4), Rep -79.10(10) ...... 4.00 su-Rat C1C -MO1C-C4C -C3C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -61.9(5), Rep -61.9(2) ...... 2.50 su-Rat C2C -C1C -C5C -MO1C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -38.1(3), Rep -38.10(10) ...... 3.00 su-Rat C3C -MO1C-C5C -C4C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -80.1(3), Rep -80.10(10) ...... 3.00 su-Rat C2C -MO1C-C5C -C4C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 78.8(4), Rep 78.80(10) ...... 4.00 su-Rat C3C -MO1C-C5C -C1C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 36.8(4), Rep 36.80(10) ...... 4.00 su-Rat C2C -MO1C-C5C -C1C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -79.5(3), Rep -79.50(10) ...... 3.00 su-Rat C8C -MO2C-C6C -C10C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -37.3(3), Rep -37.30(10) ...... 3.00 su-Rat C9C -MO2C-C6C -C10C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 37.7(4), Rep 37.70(10) ...... 4.00 su-Rat C8C -MO2C-C6C -C7C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 79.9(4), Rep 79.90(10) ...... 4.00 su-Rat C9C -MO2C-C6C -C7C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 38.0(3), Rep 38.00(10) ...... 3.00 su-Rat C9C -MO2C-C7C -C8C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 79.6(4), Rep 79.60(10) ...... 4.00 su-Rat C10C-MO2C-C7C -C8C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -78.4(4), Rep -78.40(10) ...... 4.00 su-Rat C9C -MO2C-C7C -C6C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -36.8(4), Rep -36.70(10) ...... 4.00 su-Rat C10C-MO2C-C7C -C6C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 37.4(4), Rep 37.40(10) ...... 4.00 su-Rat C10C-MO2C-C8C -C9C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 78.6(4), Rep 78.50(10) ...... 4.00 su-Rat C6C -MO2C-C8C -C9C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -78.2(4), Rep -78.20(10) ...... 4.00 su-Rat C10C-MO2C-C8C -C7C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -37.1(4), Rep -37.10(10) ...... 4.00 su-Rat C6C -MO2C-C8C -C7C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -37.8(3), Rep -37.79(8) ...... 3.75 su-Rat C7C -MO2C-C9C -C8C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -79.1(4), Rep -79.10(10) ...... 4.00 su-Rat C6C -MO2C-C9C -C8C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 78.1(4), Rep 78.10(10) ...... 4.00 su-Rat C7C -MO2C-C9C -C10C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 36.8(3), Rep 36.80(10) ...... 3.00 su-Rat C6C -MO2C-C9C -C10C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 78.9(3), Rep 78.90(10) ...... 3.00 su-Rat C8C -MO2C-C10C-C6C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 116.8(4), Rep 116.80(10) ...... 4.00 su-Rat C9C -MO2C-C10C-C6C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc 36.9(3), Rep 36.89(8) ...... 3.75 su-Rat C7C -MO2C-C10C-C6C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -37.9(4), Rep -37.90(10) ...... 4.00 su-Rat C8C -MO2C-C10C-C9C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -79.9(4), Rep -79.90(10) ...... 4.00 su-Rat C7C -MO2C-C10C-C9C 1.555 1.555 1.555 1.555 PLAT733_ALERT_1_C Torsion Calc -116.8(4), Rep -116.80(10) ...... 4.00 su-Rat C6C -MO2C-C10C-C9C 1.555 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 61 ALERT level B = Potentially serious problem 137 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 190 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
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
[Mo2S(C5H5)2(C7H7S)2(CO)2] | Z = 6 |
Mr = 656.51 | F(000) = 1968 |
Triclinic, P1 | Dx = 1.752 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 11.325 (1) Å | Cell parameters from 6754 reflections |
b = 16.104 (1) Å | θ = 2.6–29.2° |
c = 22.723 (1) Å | µ = 1.28 mm−1 |
α = 74.15 (1)° | T = 223 K |
β = 86.10 (1)° | Block, red |
γ = 69.52 (1)° | 0.38 × 0.30 × 0.28 mm |
V = 3732.9 (4) Å3 |
Data collection top
Bruker CCD area-detector diffractometer | 17028 independent reflections |
Radiation source: fine-focus sealed tube | 11206 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.041 |
φ and ω scans | θmax = 27.5°, θmin = 0.9° |
Absorption correction: multi-scan (SADABS; Bruker, 2001) | h = −14→14 |
Tmin = 0.680, Tmax = 0.715 | k = −20→19 |
36947 measured reflections | l = −29→29 |
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)] = 0.066 | Hydrogen site location: constr |
wR(F2) = 0.216 | H-atom parameters constrained |
S = 1.07 | w = 1/[σ2(Fo2) + (0.0898P)2 + 20.1592P] where P = (Fo2 + 2Fc2)/3 |
17028 reflections | (Δ/σ)max = 0.001 |
766 parameters | Δρmax = 2.42 e Å−3 |
0 restraints | Δρmin = −1.69 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Mo1a | 0.53892 (6) | 0.96419 (4) | 0.64569 (3) | 0.02444 (16) | |
Mo2a | 0.73997 (6) | 0.80042 (4) | 0.69011 (3) | 0.02453 (16) | |
S1a | 0.74491 (18) | 0.92114 (13) | 0.59766 (9) | 0.0301 (4) | |
S2a | 0.53179 (18) | 0.84187 (13) | 0.73647 (9) | 0.0303 (4) | |
S3a | 0.57644 (18) | 0.82215 (13) | 0.61690 (9) | 0.0321 (4) | |
O1a | 0.6306 (5) | 1.0594 (4) | 0.7272 (3) | 0.0398 (14) | |
O2a | 0.8447 (5) | 0.8905 (4) | 0.7700 (3) | 0.0409 (14) | |
C1a | 0.3606 (6) | 1.0162 (4) | 0.5797 (3) | 0.043 (2) | |
H1a | 0.3419 | 0.9782 | 0.5596 | 0.052* | |
C2a | 0.4350 (5) | 1.0724 (4) | 0.5567 (2) | 0.039 (2) | |
H2a | 0.4741 | 1.0782 | 0.5187 | 0.047* | |
C3a | 0.4399 (5) | 1.1183 (4) | 0.6012 (3) | 0.0372 (19) | |
H3a | 0.4828 | 1.1598 | 0.5978 | 0.045* | |
C4a | 0.3686 (6) | 1.0904 (4) | 0.6517 (2) | 0.043 (2) | |
H4a | 0.3560 | 1.1103 | 0.6876 | 0.052* | |
C5a | 0.3196 (5) | 1.0273 (4) | 0.6384 (3) | 0.043 (2) | |
H5a | 0.2689 | 0.9981 | 0.6640 | 0.051* | |
C6a | 0.8157 (5) | 0.6523 (4) | 0.6736 (3) | 0.042 (2) | |
H6a | 0.7761 | 0.6353 | 0.6462 | 0.050* | |
C7a | 0.7901 (5) | 0.6430 (4) | 0.7367 (3) | 0.040 (2) | |
H7a | 0.7306 | 0.6187 | 0.7583 | 0.048* | |
C8a | 0.8701 (5) | 0.6769 (4) | 0.7613 (2) | 0.0364 (19) | |
H8a | 0.8729 | 0.6790 | 0.8021 | 0.044* | |
C9a | 0.9452 (5) | 0.7072 (4) | 0.7135 (3) | 0.041 (2) | |
H9a | 1.0064 | 0.7328 | 0.7171 | 0.049* | |
C10a | 0.9115 (5) | 0.6920 (4) | 0.6593 (2) | 0.0388 (19) | |
H10a | 0.9466 | 0.7058 | 0.6207 | 0.047* | |
C11a | 0.6018 (7) | 1.0190 (5) | 0.6977 (3) | 0.0293 (16) | |
C12a | 0.7997 (7) | 0.8612 (6) | 0.7398 (4) | 0.037 (2) | |
C13a | 0.8439 (8) | 0.9858 (5) | 0.6085 (4) | 0.0386 (19) | |
H13a | 0.8264 | 1.0421 | 0.5749 | 0.046* | |
H13b | 0.8227 | 1.0036 | 0.6469 | 0.046* | |
C14a | 0.9820 (4) | 0.9289 (4) | 0.6102 (3) | 0.042 (2) | |
C15a | 1.0347 (6) | 0.8969 (5) | 0.5601 (3) | 0.057 (3) | |
H15a | 0.9843 | 0.9109 | 0.5251 | 0.068* | |
C16a | 1.1620 (6) | 0.8442 (5) | 0.5618 (4) | 0.075 (4) | |
H16a | 1.1976 | 0.8225 | 0.5279 | 0.090* | |
C17a | 1.2365 (4) | 0.8235 (4) | 0.6136 (4) | 0.081 (4) | |
H17a | 1.3225 | 0.7879 | 0.6147 | 0.097* | |
C18a | 1.1838 (6) | 0.8556 (5) | 0.6637 (3) | 0.077 (4) | |
H18a | 1.2342 | 0.8416 | 0.6987 | 0.092* | |
C19a | 1.0566 (6) | 0.9083 (5) | 0.6620 (3) | 0.059 (3) | |
H19a | 1.0209 | 0.9300 | 0.6959 | 0.071* | |
C20a | 0.5336 (7) | 0.8746 (6) | 0.8076 (4) | 0.0384 (19) | |
H20a | 0.5460 | 0.8205 | 0.8424 | 0.046* | |
H20b | 0.6050 | 0.8957 | 0.8076 | 0.046* | |
C21a | 0.4128 (4) | 0.9501 (4) | 0.8153 (3) | 0.0372 (19) | |
C22a | 0.2969 (5) | 0.9403 (4) | 0.8106 (3) | 0.053 (2) | |
H22a | 0.2932 | 0.8881 | 0.8010 | 0.063* | |
C23a | 0.1864 (4) | 1.0078 (5) | 0.8200 (3) | 0.069 (3) | |
H23a | 0.1080 | 1.0012 | 0.8168 | 0.083* | |
C24a | 0.1918 (5) | 1.0851 (4) | 0.8342 (3) | 0.067 (3) | |
H24a | 0.1171 | 1.1308 | 0.8406 | 0.081* | |
C25a | 0.3077 (7) | 1.0949 (4) | 0.8390 (3) | 0.070 (3) | |
H25a | 0.3114 | 1.1472 | 0.8486 | 0.084* | |
C26a | 0.4182 (5) | 1.0274 (4) | 0.8295 (3) | 0.051 (2) | |
H26a | 0.4966 | 1.0340 | 0.8328 | 0.061* | |
Mo1b | 0.74637 (6) | 0.29966 (4) | 0.70268 (3) | 0.02452 (16) | |
Mo2b | 0.55033 (6) | 0.46500 (4) | 0.65326 (3) | 0.02402 (15) | |
S1b | 0.53165 (18) | 0.34340 (14) | 0.74194 (9) | 0.0307 (4) | |
S2b | 0.76386 (17) | 0.42332 (13) | 0.61384 (8) | 0.0260 (4) | |
S3b | 0.70134 (18) | 0.44135 (14) | 0.73314 (9) | 0.0307 (4) | |
O1b | 0.6758 (6) | 0.2076 (4) | 0.6127 (3) | 0.0442 (15) | |
O2b | 0.4618 (5) | 0.3783 (4) | 0.5645 (3) | 0.0392 (13) | |
C1b | 0.9153 (6) | 0.2517 (4) | 0.7735 (3) | 0.049 (2) | |
H1b | 0.9329 | 0.2925 | 0.7914 | 0.059* | |
C2b | 0.8333 (5) | 0.2016 (4) | 0.7966 (2) | 0.045 (2) | |
H2b | 0.7869 | 0.2035 | 0.8325 | 0.054* | |
C3b | 0.8334 (5) | 0.1484 (4) | 0.7560 (3) | 0.042 (2) | |
H3b | 0.7872 | 0.1087 | 0.7603 | 0.051* | |
C4b | 0.9156 (6) | 0.1655 (4) | 0.7079 (2) | 0.043 (2) | |
H4b | 0.9334 | 0.1392 | 0.6747 | 0.052* | |
C5b | 0.9663 (5) | 0.2294 (4) | 0.7187 (3) | 0.053 (3) | |
H5b | 1.0234 | 0.2528 | 0.6939 | 0.063* | |
C6b | 0.4698 (6) | 0.6116 (4) | 0.6718 (3) | 0.049 (2) | |
H6b | 0.5033 | 0.6266 | 0.7026 | 0.059* | |
C7b | 0.3702 (6) | 0.5756 (4) | 0.6786 (2) | 0.052 (3) | |
H7b | 0.3263 | 0.5626 | 0.7146 | 0.062* | |
C8b | 0.3486 (5) | 0.5626 (4) | 0.6214 (3) | 0.0365 (19) | |
H8b | 0.2879 | 0.5396 | 0.6130 | 0.044* | |
C9b | 0.4347 (5) | 0.5907 (4) | 0.57936 (19) | 0.0374 (19) | |
H9b | 0.4411 | 0.5894 | 0.5381 | 0.045* | |
C10b | 0.5096 (5) | 0.6209 (4) | 0.6105 (3) | 0.040 (2) | |
H10b | 0.5743 | 0.6432 | 0.5935 | 0.049* | |
C11b | 0.6948 (7) | 0.2448 (5) | 0.6455 (4) | 0.0294 (16) | |
C12b | 0.4992 (7) | 0.4075 (5) | 0.5982 (3) | 0.0294 (16) | |
C13b | 0.4390 (7) | 0.2787 (6) | 0.7244 (4) | 0.0373 (19) | |
H13c | 0.4747 | 0.2556 | 0.6891 | 0.045* | |
H13d | 0.4459 | 0.2256 | 0.7594 | 0.045* | |
C14b | 0.3007 (4) | 0.3366 (4) | 0.7105 (2) | 0.0330 (17) | |
C15b | 0.2312 (5) | 0.3849 (5) | 0.7509 (2) | 0.053 (2) | |
H15b | 0.2705 | 0.3838 | 0.7864 | 0.063* | |
C16b | 0.1036 (5) | 0.4349 (5) | 0.7389 (3) | 0.068 (3) | |
H16b | 0.0565 | 0.4676 | 0.7662 | 0.082* | |
C17b | 0.0454 (4) | 0.4366 (4) | 0.6864 (3) | 0.059 (3) | |
H17b | −0.0409 | 0.4704 | 0.6783 | 0.070* | |
C18b | 0.1149 (5) | 0.3882 (4) | 0.6460 (2) | 0.050 (2) | |
H18b | 0.0756 | 0.3894 | 0.6105 | 0.060* | |
C19b | 0.2426 (5) | 0.3383 (4) | 0.6581 (2) | 0.040 (2) | |
H19b | 0.2896 | 0.3056 | 0.6307 | 0.048* | |
C20b | 0.7692 (7) | 0.3961 (6) | 0.5398 (3) | 0.0314 (17) | |
H20c | 0.7236 | 0.3535 | 0.5424 | 0.038* | |
H20d | 0.7272 | 0.4525 | 0.5080 | 0.038* | |
C21b | 0.9030 (4) | 0.3533 (4) | 0.5225 (2) | 0.0344 (18) | |
C22b | 0.9672 (6) | 0.4096 (3) | 0.4893 (3) | 0.045 (2) | |
H22b | 0.9252 | 0.4734 | 0.4755 | 0.055* | |
C23b | 1.0934 (5) | 0.3715 (5) | 0.4765 (3) | 0.060 (3) | |
H23b | 1.1368 | 0.4095 | 0.4541 | 0.072* | |
C24b | 1.1555 (4) | 0.2771 (5) | 0.4970 (3) | 0.066 (3) | |
H24b | 1.2408 | 0.2513 | 0.4883 | 0.079* | |
C25b | 1.0913 (6) | 0.2208 (4) | 0.5302 (3) | 0.070 (4) | |
H25b | 1.1332 | 0.1569 | 0.5440 | 0.084* | |
C26b | 0.9650 (6) | 0.2589 (3) | 0.5430 (3) | 0.048 (2) | |
H26b | 0.9216 | 0.2208 | 0.5654 | 0.058* | |
Mo1c | 0.89757 (6) | 0.33012 (4) | 0.97753 (3) | 0.02518 (16) | |
Mo2c | 1.09516 (6) | 0.16574 (4) | 1.02534 (3) | 0.02443 (15) | |
S1c | 1.10856 (18) | 0.28576 (14) | 0.93402 (9) | 0.0309 (4) | |
S2c | 0.88315 (17) | 0.20891 (13) | 1.06769 (9) | 0.0303 (4) | |
S3c | 0.93975 (19) | 0.18798 (14) | 0.94807 (9) | 0.0336 (4) | |
O1c | 0.9808 (5) | 0.4266 (4) | 1.0611 (3) | 0.0401 (14) | |
O2c | 1.1896 (5) | 0.2559 (4) | 1.1088 (3) | 0.0406 (14) | |
C1c | 0.7257 (6) | 0.3791 (4) | 0.9078 (3) | 0.048 (2) | |
H1c | 0.7092 | 0.3400 | 0.8880 | 0.058* | |
C2c | 0.8032 (5) | 0.4333 (4) | 0.8861 (2) | 0.040 (2) | |
H2c | 0.8470 | 0.4363 | 0.8494 | 0.049* | |
C3c | 0.8029 (5) | 0.4821 (4) | 0.9296 (3) | 0.042 (2) | |
H3c | 0.8465 | 0.5231 | 0.9268 | 0.050* | |
C4c | 0.7252 (5) | 0.4580 (4) | 0.9782 (2) | 0.041 (2) | |
H4c | 0.7083 | 0.4803 | 1.0132 | 0.049* | |
C5c | 0.6775 (5) | 0.3944 (4) | 0.9648 (3) | 0.047 (2) | |
H5c | 0.6235 | 0.3672 | 0.9893 | 0.056* | |
C6c | 1.1729 (6) | 0.0187 (4) | 1.0078 (2) | 0.047 (2) | |
H6c | 1.1369 | 0.0032 | 0.9781 | 0.057* | |
C7c | 1.1375 (5) | 0.0099 (4) | 1.0697 (3) | 0.043 (2) | |
H7c | 1.0740 | −0.0126 | 1.0883 | 0.052* | |
C8c | 1.2149 (6) | 0.0409 (4) | 1.09871 (19) | 0.0371 (19) | |
H8c | 1.2116 | 0.0426 | 1.1398 | 0.044* | |
C9c | 1.2981 (5) | 0.0689 (4) | 1.0547 (3) | 0.042 (2) | |
H9c | 1.3596 | 0.0924 | 1.0615 | 0.050* | |
C10c | 1.2722 (6) | 0.0552 (4) | 0.9985 (2) | 0.044 (2) | |
H10c | 1.3135 | 0.0681 | 0.9616 | 0.053* | |
C11c | 0.9563 (7) | 0.3888 (5) | 1.0316 (3) | 0.0316 (17) | |
C12c | 1.1503 (7) | 0.2284 (5) | 1.0774 (3) | 0.0273 (16) | |
C13c | 1.2054 (7) | 0.3493 (6) | 0.9481 (4) | 0.0384 (19) | |
H13e | 1.1921 | 0.4046 | 0.9139 | 0.046* | |
H13f | 1.1777 | 0.3692 | 0.9853 | 0.046* | |
C14c | 1.3434 (4) | 0.2938 (4) | 0.9550 (3) | 0.0334 (17) | |
C15c | 1.4046 (6) | 0.2611 (5) | 0.9065 (2) | 0.058 (3) | |
H15c | 1.3596 | 0.2745 | 0.8698 | 0.069* | |
C16c | 1.5322 (6) | 0.2086 (5) | 0.9122 (3) | 0.073 (3) | |
H16c | 1.5736 | 0.1865 | 0.8794 | 0.088* | |
C17c | 1.5987 (4) | 0.1888 (4) | 0.9664 (4) | 0.066 (3) | |
H17c | 1.6850 | 0.1533 | 0.9703 | 0.079* | |
C18c | 1.5375 (5) | 0.2216 (5) | 1.0150 (3) | 0.070 (3) | |
H18c | 1.5825 | 0.2082 | 1.0517 | 0.084* | |
C19c | 1.4099 (6) | 0.2740 (5) | 1.0092 (2) | 0.056 (3) | |
H19c | 1.3685 | 0.2962 | 1.0421 | 0.067* | |
C20c | 0.8813 (7) | 0.2412 (6) | 1.1400 (4) | 0.0367 (19) | |
H20e | 0.8906 | 0.1872 | 1.1746 | 0.044* | |
H20f | 0.9531 | 0.2612 | 1.1416 | 0.044* | |
C21c | 0.7609 (4) | 0.3173 (4) | 1.1457 (3) | 0.0359 (18) | |
C22c | 0.6440 (5) | 0.3089 (4) | 1.1410 (3) | 0.063 (3) | |
H22c | 0.6392 | 0.2556 | 1.1335 | 0.076* | |
C23c | 0.5343 (4) | 0.3795 (6) | 1.1472 (4) | 0.081 (4) | |
H23c | 0.4553 | 0.3739 | 1.1440 | 0.097* | |
C24c | 0.5414 (6) | 0.4584 (5) | 1.1582 (3) | 0.071 (4) | |
H24c | 0.4672 | 0.5061 | 1.1625 | 0.086* | |
C25c | 0.6582 (7) | 0.4668 (4) | 1.1630 (3) | 0.065 (3) | |
H25c | 0.6630 | 0.5201 | 1.1704 | 0.079* | |
C26c | 0.7680 (5) | 0.3962 (4) | 1.1567 (3) | 0.052 (2) | |
H26c | 0.8470 | 0.4018 | 1.1599 | 0.063* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Mo1a | 0.0214 (3) | 0.0203 (3) | 0.0297 (3) | −0.0040 (2) | −0.0026 (2) | −0.0070 (3) |
Mo2a | 0.0218 (3) | 0.0201 (3) | 0.0301 (3) | −0.0035 (2) | −0.0025 (2) | −0.0083 (3) |
S1a | 0.0268 (9) | 0.0283 (10) | 0.0335 (10) | −0.0075 (8) | 0.0020 (7) | −0.0083 (8) |
S2a | 0.0243 (9) | 0.0263 (10) | 0.0367 (10) | −0.0067 (8) | 0.0017 (8) | −0.0055 (8) |
S3a | 0.0290 (10) | 0.0249 (10) | 0.0440 (11) | −0.0055 (8) | −0.0075 (8) | −0.0144 (8) |
O1a | 0.040 (3) | 0.035 (3) | 0.050 (3) | −0.013 (3) | 0.000 (3) | −0.020 (3) |
O2a | 0.040 (3) | 0.038 (3) | 0.049 (3) | −0.011 (3) | −0.008 (3) | −0.021 (3) |
C1a | 0.036 (5) | 0.034 (5) | 0.057 (6) | −0.002 (4) | −0.023 (4) | −0.013 (4) |
C2a | 0.040 (5) | 0.027 (4) | 0.038 (4) | 0.001 (4) | −0.005 (4) | −0.002 (3) |
C3a | 0.041 (5) | 0.023 (4) | 0.040 (4) | −0.003 (4) | −0.009 (4) | −0.006 (3) |
C4a | 0.043 (5) | 0.028 (4) | 0.040 (5) | 0.008 (4) | −0.005 (4) | −0.005 (4) |
C5a | 0.023 (4) | 0.038 (5) | 0.059 (6) | −0.003 (4) | −0.012 (4) | −0.006 (4) |
C6a | 0.040 (5) | 0.031 (5) | 0.054 (5) | −0.002 (4) | −0.007 (4) | −0.022 (4) |
C7a | 0.037 (5) | 0.018 (4) | 0.061 (6) | −0.006 (3) | −0.004 (4) | −0.006 (4) |
C8a | 0.038 (5) | 0.022 (4) | 0.040 (4) | 0.001 (3) | −0.006 (4) | −0.007 (3) |
C9a | 0.024 (4) | 0.034 (5) | 0.056 (5) | 0.003 (3) | −0.010 (4) | −0.013 (4) |
C10a | 0.033 (4) | 0.027 (4) | 0.048 (5) | 0.003 (3) | −0.001 (4) | −0.012 (4) |
C11a | 0.028 (4) | 0.019 (4) | 0.038 (4) | −0.009 (3) | 0.002 (3) | −0.001 (3) |
C12a | 0.025 (4) | 0.041 (5) | 0.031 (4) | −0.002 (4) | 0.003 (3) | 0.003 (4) |
C13a | 0.037 (5) | 0.021 (4) | 0.059 (5) | −0.012 (4) | 0.006 (4) | −0.011 (4) |
C14a | 0.027 (4) | 0.026 (4) | 0.068 (6) | −0.012 (3) | 0.006 (4) | −0.004 (4) |
C15a | 0.029 (5) | 0.056 (6) | 0.079 (7) | −0.007 (4) | 0.013 (5) | −0.020 (5) |
C16a | 0.042 (6) | 0.049 (7) | 0.122 (11) | −0.004 (5) | 0.025 (7) | −0.024 (7) |
C17a | 0.028 (5) | 0.029 (5) | 0.164 (14) | −0.003 (4) | 0.009 (7) | −0.002 (7) |
C18a | 0.042 (6) | 0.060 (8) | 0.123 (11) | −0.026 (6) | −0.020 (7) | 0.000 (7) |
C19a | 0.042 (6) | 0.052 (6) | 0.091 (8) | −0.027 (5) | −0.007 (5) | −0.014 (6) |
C20a | 0.030 (4) | 0.041 (5) | 0.033 (4) | −0.004 (4) | 0.004 (3) | −0.004 (4) |
C21a | 0.031 (4) | 0.042 (5) | 0.026 (4) | −0.003 (4) | 0.001 (3) | −0.003 (3) |
C22a | 0.035 (5) | 0.059 (7) | 0.061 (6) | −0.013 (5) | 0.007 (4) | −0.016 (5) |
C23a | 0.033 (5) | 0.085 (9) | 0.073 (7) | 0.002 (5) | 0.003 (5) | −0.025 (7) |
C24a | 0.059 (7) | 0.060 (7) | 0.045 (6) | 0.022 (6) | 0.002 (5) | −0.009 (5) |
C25a | 0.089 (9) | 0.053 (7) | 0.050 (6) | 0.002 (6) | 0.007 (6) | −0.019 (5) |
C26a | 0.062 (6) | 0.044 (6) | 0.044 (5) | −0.014 (5) | 0.012 (4) | −0.018 (4) |
Mo1b | 0.0206 (3) | 0.0218 (3) | 0.0290 (3) | −0.0050 (3) | −0.0052 (2) | −0.0050 (3) |
Mo2b | 0.0219 (3) | 0.0221 (3) | 0.0264 (3) | −0.0047 (2) | −0.0041 (2) | −0.0063 (2) |
S1b | 0.0258 (9) | 0.0295 (10) | 0.0327 (10) | −0.0071 (8) | −0.0009 (7) | −0.0047 (8) |
S2b | 0.0241 (9) | 0.0269 (10) | 0.0286 (9) | −0.0089 (7) | −0.0035 (7) | −0.0089 (7) |
S3b | 0.0280 (10) | 0.0319 (11) | 0.0334 (10) | −0.0067 (8) | −0.0073 (8) | −0.0131 (8) |
O1b | 0.048 (4) | 0.032 (3) | 0.055 (4) | −0.008 (3) | −0.008 (3) | −0.020 (3) |
O2b | 0.035 (3) | 0.045 (4) | 0.045 (3) | −0.018 (3) | −0.004 (3) | −0.019 (3) |
C1b | 0.041 (5) | 0.030 (5) | 0.071 (6) | 0.001 (4) | −0.030 (5) | −0.016 (4) |
C2b | 0.033 (5) | 0.048 (6) | 0.040 (5) | −0.004 (4) | −0.014 (4) | 0.000 (4) |
C3b | 0.040 (5) | 0.021 (4) | 0.057 (5) | −0.005 (4) | −0.019 (4) | 0.001 (4) |
C4b | 0.038 (5) | 0.034 (5) | 0.047 (5) | 0.004 (4) | −0.011 (4) | −0.012 (4) |
C5b | 0.023 (4) | 0.040 (5) | 0.066 (6) | 0.002 (4) | −0.011 (4) | 0.018 (5) |
C6b | 0.055 (6) | 0.020 (4) | 0.067 (6) | 0.005 (4) | −0.028 (5) | −0.021 (4) |
C7b | 0.054 (6) | 0.039 (5) | 0.034 (5) | 0.015 (4) | 0.006 (4) | −0.005 (4) |
C8b | 0.025 (4) | 0.028 (4) | 0.053 (5) | −0.002 (3) | −0.005 (4) | −0.012 (4) |
C9b | 0.031 (4) | 0.032 (5) | 0.039 (4) | −0.001 (3) | −0.012 (3) | −0.004 (4) |
C10b | 0.029 (4) | 0.025 (4) | 0.064 (6) | −0.005 (3) | −0.009 (4) | −0.010 (4) |
C11b | 0.028 (4) | 0.017 (4) | 0.040 (4) | −0.003 (3) | −0.004 (3) | −0.007 (3) |
C12b | 0.022 (4) | 0.031 (4) | 0.035 (4) | −0.008 (3) | 0.001 (3) | −0.010 (3) |
C13b | 0.027 (4) | 0.031 (4) | 0.053 (5) | −0.011 (3) | 0.000 (4) | −0.007 (4) |
C14b | 0.029 (4) | 0.022 (4) | 0.046 (5) | −0.007 (3) | −0.001 (3) | −0.007 (3) |
C15b | 0.035 (5) | 0.063 (7) | 0.057 (6) | −0.009 (5) | −0.006 (4) | −0.020 (5) |
C16b | 0.033 (5) | 0.081 (8) | 0.099 (9) | −0.008 (5) | 0.011 (5) | −0.054 (7) |
C17b | 0.024 (5) | 0.037 (5) | 0.104 (9) | −0.001 (4) | −0.010 (5) | −0.012 (5) |
C18b | 0.031 (5) | 0.046 (6) | 0.070 (6) | −0.011 (4) | −0.016 (4) | −0.010 (5) |
C19b | 0.038 (5) | 0.037 (5) | 0.049 (5) | −0.017 (4) | 0.002 (4) | −0.011 (4) |
C20b | 0.029 (4) | 0.037 (5) | 0.031 (4) | −0.010 (3) | −0.002 (3) | −0.014 (3) |
C21b | 0.040 (5) | 0.039 (5) | 0.023 (4) | −0.012 (4) | −0.003 (3) | −0.009 (3) |
C22b | 0.051 (6) | 0.050 (6) | 0.041 (5) | −0.017 (5) | 0.012 (4) | −0.024 (4) |
C23b | 0.052 (6) | 0.090 (9) | 0.058 (6) | −0.035 (6) | 0.020 (5) | −0.039 (6) |
C24b | 0.038 (6) | 0.102 (10) | 0.050 (6) | −0.004 (6) | 0.005 (5) | −0.035 (6) |
C25b | 0.058 (7) | 0.059 (7) | 0.050 (6) | 0.030 (6) | −0.017 (5) | −0.008 (5) |
C26b | 0.051 (6) | 0.039 (5) | 0.043 (5) | −0.002 (4) | −0.003 (4) | −0.009 (4) |
Mo1c | 0.0200 (3) | 0.0237 (3) | 0.0286 (3) | −0.0026 (3) | −0.0037 (2) | −0.0071 (3) |
Mo2c | 0.0209 (3) | 0.0226 (3) | 0.0266 (3) | −0.0022 (3) | −0.0024 (2) | −0.0077 (3) |
S1c | 0.0259 (9) | 0.0308 (10) | 0.0302 (9) | −0.0052 (8) | 0.0011 (7) | −0.0051 (8) |
S2c | 0.0236 (9) | 0.0296 (10) | 0.0345 (10) | −0.0061 (8) | 0.0006 (7) | −0.0072 (8) |
S3c | 0.0301 (10) | 0.0305 (11) | 0.0394 (11) | −0.0029 (8) | −0.0094 (8) | −0.0154 (9) |
O1c | 0.042 (3) | 0.039 (3) | 0.046 (3) | −0.015 (3) | −0.003 (3) | −0.020 (3) |
O2c | 0.034 (3) | 0.044 (4) | 0.041 (3) | −0.006 (3) | −0.004 (3) | −0.018 (3) |
C1c | 0.032 (5) | 0.040 (5) | 0.068 (6) | 0.000 (4) | −0.026 (4) | −0.014 (5) |
C2c | 0.041 (5) | 0.034 (5) | 0.032 (4) | 0.000 (4) | −0.011 (4) | 0.000 (4) |
C3c | 0.029 (4) | 0.029 (5) | 0.058 (6) | −0.003 (4) | −0.016 (4) | −0.001 (4) |
C4c | 0.031 (4) | 0.027 (4) | 0.054 (5) | 0.007 (3) | −0.010 (4) | −0.013 (4) |
C5c | 0.020 (4) | 0.035 (5) | 0.071 (6) | −0.003 (4) | −0.014 (4) | 0.003 (4) |
C6c | 0.052 (6) | 0.027 (5) | 0.051 (5) | 0.010 (4) | −0.017 (4) | −0.018 (4) |
C7c | 0.039 (5) | 0.025 (4) | 0.056 (5) | −0.001 (4) | −0.003 (4) | −0.007 (4) |
C8c | 0.042 (5) | 0.027 (4) | 0.032 (4) | 0.002 (4) | −0.008 (3) | −0.006 (3) |
C9c | 0.031 (4) | 0.034 (5) | 0.047 (5) | 0.007 (4) | −0.010 (4) | −0.009 (4) |
C10c | 0.044 (5) | 0.025 (4) | 0.044 (5) | 0.012 (4) | 0.005 (4) | −0.010 (4) |
C11c | 0.021 (4) | 0.031 (4) | 0.033 (4) | 0.000 (3) | −0.004 (3) | −0.005 (3) |
C12c | 0.031 (4) | 0.019 (4) | 0.033 (4) | −0.006 (3) | 0.001 (3) | −0.012 (3) |
C13c | 0.025 (4) | 0.043 (5) | 0.043 (5) | −0.010 (4) | 0.005 (3) | −0.009 (4) |
C14c | 0.025 (4) | 0.025 (4) | 0.047 (5) | −0.007 (3) | 0.003 (3) | −0.007 (3) |
C15c | 0.040 (5) | 0.065 (7) | 0.059 (6) | −0.006 (5) | 0.008 (5) | −0.021 (5) |
C16c | 0.043 (6) | 0.073 (8) | 0.105 (10) | −0.008 (6) | 0.024 (6) | −0.047 (7) |
C17c | 0.025 (5) | 0.030 (5) | 0.127 (11) | −0.004 (4) | −0.002 (6) | −0.003 (6) |
C18c | 0.035 (5) | 0.084 (9) | 0.081 (8) | −0.028 (6) | −0.014 (5) | 0.006 (7) |
C19c | 0.041 (5) | 0.078 (8) | 0.054 (6) | −0.025 (5) | 0.000 (4) | −0.018 (5) |
C20c | 0.028 (4) | 0.041 (5) | 0.035 (4) | −0.005 (4) | 0.000 (3) | −0.010 (4) |
C21c | 0.028 (4) | 0.043 (5) | 0.029 (4) | −0.006 (4) | 0.004 (3) | −0.008 (4) |
C22c | 0.031 (5) | 0.068 (7) | 0.086 (8) | −0.004 (5) | 0.009 (5) | −0.031 (6) |
C23c | 0.029 (5) | 0.105 (11) | 0.092 (9) | 0.003 (6) | 0.007 (5) | −0.036 (8) |
C24c | 0.061 (7) | 0.074 (8) | 0.041 (5) | 0.028 (6) | −0.006 (5) | −0.020 (5) |
C25c | 0.092 (9) | 0.048 (6) | 0.050 (6) | −0.012 (6) | 0.013 (6) | −0.021 (5) |
C26c | 0.059 (6) | 0.057 (6) | 0.049 (5) | −0.021 (5) | 0.017 (5) | −0.028 (5) |
Geometric parameters (Å, º) top
Mo1a—C1a | 2.360 (5) | C7b—C8b | 1.4200 |
Mo1a—C2a | 2.339 (5) | C7b—H7b | 0.9400 |
Mo1a—C3a | 2.297 (5) | C8b—C9b | 1.4200 |
Mo1a—C4a | 2.290 (5) | C8b—H8b | 0.9400 |
Mo1a—C5a | 2.330 (5) | C9b—C10b | 1.4200 |
Mo1a—C11a | 1.952 (8) | C9b—H9b | 0.9400 |
Mo1a—S1a | 2.460 (2) | C10b—H10b | 0.9400 |
Mo1a—S2a | 2.452 (2) | C13b—C14b | 1.519 (8) |
Mo1a—S3a | 2.437 (2) | C13b—H13c | 0.9800 |
Mo2a—C12a | 1.965 (9) | C13b—H13d | 0.9800 |
Mo2a—C6a | 2.361 (5) | C14b—C15b | 1.3900 |
Mo2a—C7a | 2.340 (5) | C14b—C19b | 1.3900 |
Mo2a—C8a | 2.294 (5) | C15b—C16b | 1.3900 |
Mo2a—C9a | 2.286 (5) | C15b—H15b | 0.9400 |
Mo2a—C10a | 2.329 (5) | C16b—C17b | 1.3900 |
Mo2a—S1a | 2.454 (2) | C16b—H16b | 0.9400 |
Mo2a—S2a | 2.462 (2) | C17b—C18b | 1.3900 |
Mo2a—S3a | 2.443 (2) | C17b—H17b | 0.9400 |
S1a—C13a | 1.842 (8) | C18b—C19b | 1.3900 |
S2a—C20a | 1.834 (8) | C18b—H18b | 0.9400 |
O1a—C11a | 1.181 (9) | C19b—H19b | 0.9400 |
O2a—C12a | 1.160 (10) | C20b—C21b | 1.503 (8) |
C1a—C2a | 1.4200 | C20b—H20c | 0.9800 |
C1a—C5a | 1.4200 | C20b—H20d | 0.9800 |
C1a—H1a | 0.9400 | C21b—C22b | 1.3900 |
C2a—C3a | 1.4200 | C21b—C26b | 1.3900 |
C2a—H2a | 0.9400 | C22b—C23b | 1.3900 |
C3a—C4a | 1.4200 | C22b—H22b | 0.9400 |
C3a—H3a | 0.9400 | C23b—C24b | 1.3900 |
C4a—C5a | 1.4200 | C23b—H23b | 0.9400 |
C4a—H4a | 0.9400 | C24b—C25b | 1.3900 |
C5a—H5a | 0.9400 | C24b—H24b | 0.9400 |
C6a—C7a | 1.4200 | C25b—C26b | 1.3900 |
C6a—C10a | 1.4200 | C25b—H25b | 0.9400 |
C6a—H6a | 0.9400 | C26b—H26b | 0.9400 |
C7a—C8a | 1.4200 | Mo1c—C1c | 2.362 (5) |
C7a—H7a | 0.9400 | Mo1c—C2c | 2.322 (5) |
C8a—C9a | 1.4200 | Mo1c—C3c | 2.278 (6) |
C8a—H8a | 0.9400 | Mo1c—C4c | 2.292 (5) |
C9a—C10a | 1.4200 | Mo1c—C5c | 2.344 (5) |
C9a—H9a | 0.9400 | Mo1c—C11c | 2.007 (8) |
C10a—H10a | 0.9400 | Mo1c—S1c | 2.463 (2) |
C13a—C14a | 1.508 (9) | Mo1c—S2c | 2.455 (2) |
C13a—H13a | 0.9800 | Mo1c—S3c | 2.438 (2) |
C13a—H13b | 0.9800 | Mo2c—C6c | 2.356 (6) |
C14a—C15a | 1.3900 | Mo2c—C7c | 2.322 (6) |
C14a—C19a | 1.3900 | Mo2c—C8c | 2.287 (5) |
C15a—C16a | 1.3900 | Mo2c—C9c | 2.300 (6) |
C15a—H15a | 0.9400 | Mo2c—C10c | 2.343 (5) |
C16a—C17a | 1.3900 | Mo2c—C12c | 2.001 (7) |
C16a—H16a | 0.9400 | Mo2c—S1c | 2.457 (2) |
C17a—C18a | 1.3900 | Mo2c—S2c | 2.461 (2) |
C17a—H17a | 0.9400 | Mo2c—S3c | 2.438 (2) |
C18a—C19a | 1.3900 | S1c—C13c | 1.835 (9) |
C18a—H18a | 0.9400 | S2c—C20c | 1.849 (8) |
C19a—H19a | 0.9400 | O1c—C11c | 1.124 (9) |
C20a—C21a | 1.517 (8) | O2c—C12c | 1.120 (9) |
C20a—H20a | 0.9800 | C1c—C5c | 1.4200 |
C20a—H20b | 0.9800 | C1c—C2c | 1.4200 |
C21a—C22a | 1.3900 | C1c—H1c | 0.9400 |
C21a—C26a | 1.3900 | C2c—C3c | 1.4200 |
C22a—C23a | 1.3900 | C2c—H2c | 0.9400 |
C22a—H22a | 0.9400 | C3c—C4c | 1.4200 |
C23a—C24a | 1.3900 | C3c—H3c | 0.9400 |
C23a—H23a | 0.9400 | C4c—C5c | 1.4200 |
C24a—C25a | 1.3900 | C4c—H4c | 0.9400 |
C24a—H24a | 0.9400 | C5c—H5c | 0.9400 |
C25a—C26a | 1.3900 | C6c—C10c | 1.4200 |
C25a—H25a | 0.9400 | C6c—C7c | 1.4200 |
C26a—H26a | 0.9400 | C6c—H6c | 0.9400 |
Mo1b—C1b | 2.357 (6) | C7c—C8c | 1.4200 |
Mo1b—C2b | 2.318 (6) | C7c—H7c | 0.9400 |
Mo1b—C3b | 2.291 (6) | C8c—C9c | 1.4200 |
Mo1b—C4b | 2.313 (6) | C8c—H8c | 0.9400 |
Mo1b—C5b | 2.354 (6) | C9c—C10c | 1.4200 |
Mo1b—C11b | 1.975 (8) | C9c—H9c | 0.9400 |
Mo1b—S1b | 2.461 (2) | C10c—H10c | 0.9400 |
Mo1b—S2b | 2.471 (2) | C13c—C14c | 1.498 (9) |
Mo1b—S3b | 2.439 (2) | C13c—H13e | 0.9800 |
Mo2b—C6b | 2.360 (5) | C13c—H13f | 0.9800 |
Mo2b—C7b | 2.350 (6) | C14c—C15c | 1.3900 |
Mo2b—C8b | 2.303 (5) | C14c—C19c | 1.3900 |
Mo2b—C9b | 2.284 (5) | C15c—C16c | 1.3900 |
Mo2b—C10b | 2.320 (6) | C15c—H15c | 0.9400 |
Mo2b—C12b | 1.967 (8) | C16c—C17c | 1.3900 |
Mo2b—S1b | 2.453 (2) | C16c—H16c | 0.9400 |
Mo2b—S2b | 2.449 (2) | C17c—C18c | 1.3900 |
Mo2b—S3b | 2.440 (2) | C17c—H17c | 0.9400 |
S1b—C13b | 1.841 (8) | C18c—C19c | 1.3900 |
S2b—C20b | 1.844 (7) | C18c—H18c | 0.9400 |
O1b—C11b | 1.147 (9) | C19c—H19c | 0.9400 |
O2b—C12b | 1.169 (9) | C20c—C21c | 1.507 (8) |
C1b—C5b | 1.4200 | C20c—H20e | 0.9800 |
C1b—C2b | 1.4200 | C20c—H20f | 0.9800 |
C1b—H1b | 0.9400 | C21c—C22c | 1.3900 |
C2b—C3b | 1.4200 | C21c—C26c | 1.3900 |
C2b—H2b | 0.9400 | C22c—C23c | 1.3900 |
C3b—C4b | 1.4200 | C22c—H22c | 0.9400 |
C3b—H3b | 0.9400 | C23c—C24c | 1.3900 |
C4b—C5b | 1.4200 | C23c—H23c | 0.9400 |
C4b—H4b | 0.9400 | C24c—C25c | 1.3900 |
C5b—H5b | 0.9400 | C24c—H24c | 0.9400 |
C6b—C7b | 1.4200 | C25c—C26c | 1.3900 |
C6b—C10b | 1.4200 | C25c—H25c | 0.9400 |
C6b—H6b | 0.9400 | C26c—H26c | 0.9400 |
C1a—Mo1a—C2a | 35.2 (1) | C2b—C3b—H3b | 126.0 |
C1a—Mo1a—C3a | 59.1 (1) | Mo1b—C3b—H3b | 119.8 |
C1a—Mo1a—C4a | 59.2 (1) | C5b—C4b—C3b | 108.0 |
C1a—Mo1a—C5a | 35.3 (1) | C5b—C4b—Mo1b | 73.9 (2) |
C1a—Mo1a—C11a | 134.3 (2) | C3b—C4b—Mo1b | 71.2 (2) |
C1a—Mo1a—S1a | 115.9 (2) | C5b—C4b—H4b | 126.0 |
C1a—Mo1a—S2a | 112.4 (2) | C3b—C4b—H4b | 126.0 |
C1a—Mo1a—S3a | 82.2 (1) | Mo1b—C4b—H4b | 120.7 |
C2a—Mo1a—C3a | 35.7 (1) | C1b—C5b—C4b | 108.0 |
C2a—Mo1a—C4a | 59.5 (1) | C1b—C5b—Mo1b | 72.6 (2) |
C2a—Mo1a—C5a | 59.0 (1) | C4b—C5b—Mo1b | 70.7 (2) |
C2a—Mo1a—C11a | 112.4 (3) | C1b—C5b—H5b | 126.0 |
C2a—Mo1a—S1a | 94.1 (1) | C4b—C5b—H5b | 126.0 |
C2a—Mo1a—S2a | 147.4 (2) | Mo1b—C5b—H5b | 122.4 |
C2a—Mo1a—S3a | 100.3 (1) | C7b—C6b—C10b | 108.0 |
C3a—Mo1a—C4a | 36.1 (1) | C7b—C6b—Mo2b | 72.1 (2) |
C3a—Mo1a—C5a | 59.6 (1) | C10b—C6b—Mo2b | 70.8 (2) |
C3a—Mo1a—C11a | 78.6 (2) | C7b—C6b—H6b | 126.0 |
C3a—Mo1a—S1a | 106.1 (2) | C10b—C6b—H6b | 126.0 |
C3a—Mo1a—S2a | 141.2 (2) | Mo2b—C6b—H6b | 122.8 |
C3a—Mo1a—S3a | 135.9 (1) | C6b—C7b—C8b | 108.0 |
C4a—Mo1a—C5a | 35.8 (1) | C6b—C7b—Mo2b | 72.8 (2) |
C4a—Mo1a—C11a | 76.6 (3) | C8b—C7b—Mo2b | 70.5 (2) |
C4a—Mo1a—S1a | 141.3 (2) | C6b—C7b—H7b | 126.0 |
C4a—Mo1a—S2a | 105.4 (1) | C8b—C7b—H7b | 126.0 |
C4a—Mo1a—S3a | 136.9 (2) | Mo2b—C7b—H7b | 122.4 |
C5a—Mo1a—C11a | 109.3 (3) | C9b—C8b—C7b | 108.0 |
C5a—Mo1a—S1a | 150.8 (2) | C9b—C8b—Mo2b | 71.2 (2) |
C5a—Mo1a—S2a | 91.5 (1) | C7b—C8b—Mo2b | 74.0 (2) |
C5a—Mo1a—S3a | 101.3 (2) | C9b—C8b—H8b | 126.0 |
C11a—Mo1a—S1a | 90.5 (2) | C7b—C8b—H8b | 126.0 |
C11a—Mo1a—S2a | 89.0 (2) | Mo2b—C8b—H8b | 120.5 |
C11a—Mo1a—S3a | 143.5 (2) | C8b—C9b—C10b | 108.0 |
S1a—Mo1a—S2a | 110.7 (1) | C8b—C9b—Mo2b | 72.7 (2) |
S1a—Mo1a—S3a | 70.6 (1) | C10b—C9b—Mo2b | 73.4 (2) |
S2a—Mo1a—S3a | 70.2 (1) | C8b—C9b—H9b | 126.0 |
C6a—Mo2a—C7a | 35.2 (1) | C10b—C9b—H9b | 126.0 |
C6a—Mo2a—C8a | 59.1 (1) | Mo2b—C9b—H9b | 119.7 |
C6a—Mo2a—C9a | 59.2 (1) | C9b—C10b—C6b | 108.0 |
C6a—Mo2a—C10a | 35.2 (1) | C9b—C10b—Mo2b | 70.7 (2) |
C6a—Mo2a—C12a | 134.2 (3) | C6b—C10b—Mo2b | 73.9 (2) |
C6a—Mo2a—S1a | 112.5 (2) | C9b—C10b—H10b | 126.0 |
C6a—Mo2a—S2a | 115.2 (2) | C6b—C10b—H10b | 126.0 |
C6a—Mo2a—S3a | 81.5 (1) | Mo2b—C10b—H10b | 121.2 |
C7a—Mo2a—C8a | 35.7 (1) | O1b—C11b—Mo1b | 173.8 (7) |
C7a—Mo2a—C9a | 59.5 (1) | O2b—C12b—Mo2b | 175.6 (7) |
C7a—Mo2a—C10a | 59.0 (1) | C14b—C13b—S1b | 112.7 (5) |
C7a—Mo2a—C12a | 111.9 (3) | C14b—C13b—H13c | 109.0 |
C7a—Mo2a—S1a | 147.5 (1) | S1b—C13b—H13c | 109.0 |
C7a—Mo2a—S2a | 93.6 (1) | C14b—C13b—H13d | 109.0 |
C7a—Mo2a—S3a | 99.4 (2) | S1b—C13b—H13d | 109.0 |
C8a—Mo2a—C9a | 36.1 (1) | H13c—C13b—H13d | 107.8 |
C8a—Mo2a—C10a | 59.6 (1) | C15b—C14b—C19b | 120.0 |
C8a—Mo2a—C12a | 78.2 (3) | C15b—C14b—C13b | 120.5 (5) |
C8a—Mo2a—S1a | 141.8 (2) | C19b—C14b—C13b | 119.5 (5) |
C8a—Mo2a—S2a | 105.9 (1) | C16b—C15b—C14b | 120.0 |
C8a—Mo2a—S3a | 135.0 (2) | C16b—C15b—H15b | 120.0 |
C9a—Mo2a—C10a | 35.8 (2) | C14b—C15b—H15b | 120.0 |
C9a—Mo2a—C12a | 76.8 (3) | C15b—C16b—C17b | 120.0 |
C9a—Mo2a—S1a | 105.9 (2) | C15b—C16b—H16b | 120.0 |
C9a—Mo2a—S2a | 141.3 (2) | C17b—C16b—H16b | 120.0 |
C9a—Mo2a—S3a | 136.5 (1) | C18b—C17b—C16b | 120.0 |
C10a—Mo2a—C12a | 109.7 (3) | C18b—C17b—H17b | 120.0 |
C10a—Mo2a—S1a | 91.8 (1) | C16b—C17b—H17b | 120.0 |
C10a—Mo2a—S2a | 150.1 (2) | C17b—C18b—C19b | 120.0 |
C10a—Mo2a—S3a | 101.0 (2) | C17b—C18b—H18b | 120.0 |
C12a—Mo2a—S1a | 90.1 (2) | C19b—C18b—H18b | 120.0 |
C12a—Mo2a—S2a | 90.5 (2) | C18b—C19b—C14b | 120.0 |
C12a—Mo2a—S3a | 144.2 (2) | C18b—C19b—H19b | 120.0 |
S1a—Mo2a—S3a | 70.59 (7) | C14b—C19b—H19b | 120.0 |
S1a—Mo2a—S2a | 110.55 (7) | C21b—C20b—S2b | 111.0 (5) |
S2a—Mo2a—S3a | 69.99 (7) | C21b—C20b—H20c | 109.4 |
C13a—S1a—Mo2a | 112.5 (3) | S2b—C20b—H20c | 109.4 |
C13a—S1a—Mo1a | 113.4 (3) | C21b—C20b—H20d | 109.4 |
Mo2a—S1a—Mo1a | 69.35 (5) | S2b—C20b—H20d | 109.4 |
C20a—S2a—Mo1a | 112.0 (3) | H20c—C20b—H20d | 108.0 |
C20a—S2a—Mo2a | 113.0 (3) | C22b—C21b—C26b | 120.0 |
Mo1a—S2a—Mo2a | 69.36 (5) | C22b—C21b—C20b | 119.4 (5) |
Mo1a—S3a—Mo2a | 69.90 (5) | C26b—C21b—C20b | 120.5 (5) |
C2a—C1a—C5a | 108.0 | C21b—C22b—C23b | 120.0 |
C2a—C1a—Mo1a | 71.6 (2) | C21b—C22b—H22b | 120.0 |
C5a—C1a—Mo1a | 71.2 (2) | C23b—C22b—H22b | 120.0 |
C2a—C1a—H1a | 126.0 | C24b—C23b—C22b | 120.0 |
C5a—C1a—H1a | 126.0 | C24b—C23b—H23b | 120.0 |
Mo1a—C1a—H1a | 122.8 | C22b—C23b—H23b | 120.0 |
C1a—C2a—C3a | 108.0 | C25b—C24b—C23b | 120.0 |
C1a—C2a—Mo1a | 73.2 (2) | C25b—C24b—H24b | 120.0 |
C3a—C2a—Mo1a | 70.5 (2) | C23b—C24b—H24b | 120.0 |
C1a—C2a—H2a | 126.0 | C24b—C25b—C26b | 120.0 |
C3a—C2a—H2a | 126.0 | C24b—C25b—H25b | 120.0 |
Mo1a—C2a—H2a | 122.0 | C26b—C25b—H25b | 120.0 |
C2a—C3a—C4a | 108.0 | C25b—C26b—C21b | 120.0 |
C2a—C3a—Mo1a | 73.8 (2) | C25b—C26b—H26b | 120.0 |
C4a—C3a—Mo1a | 71.7 (2) | C21b—C26b—H26b | 120.0 |
C2a—C3a—H3a | 126.0 | C1c—Mo1c—C2c | 35.3 (1) |
C4a—C3a—H3a | 126.0 | C1c—Mo1c—C3c | 59.3 (1) |
Mo1a—C3a—H3a | 120.2 | C1c—Mo1c—C4c | 59.1 (1) |
C5a—C4a—C3a | 108.0 | C1c—Mo1c—C5c | 35.1 (1) |
C5a—C4a—Mo1a | 73.6 (2) | C1c—Mo1c—C11c | 134.6 (2) |
C3a—C4a—Mo1a | 72.2 (2) | C1c—Mo1c—S1c | 115.8 (2) |
C5a—C4a—H4a | 126.0 | C1c—Mo1c—S2c | 111.8 (2) |
C3a—C4a—H4a | 126.0 | C1c—Mo1c—S3c | 81.0 (1) |
Mo1a—C4a—H4a | 120.0 | C2c—Mo1c—C3c | 36.0 (1) |
C4a—C5a—C1a | 108.0 | C2c—Mo1c—C4c | 59.7 (1) |
C4a—C5a—Mo1a | 70.6 (2) | C2c—Mo1c—C5c | 59.0 (1) |
C1a—C5a—Mo1a | 73.5 (2) | C2c—Mo1c—C11c | 113.0 (3) |
C4a—C5a—H5a | 126.0 | C2c—Mo1c—S1c | 93.4 (1) |
C1a—C5a—H5a | 126.0 | C2c—Mo1c—S2c | 147.0 (2) |
Mo1a—C5a—H5a | 121.6 | C3c—Mo1c—S2c | 142.3 (2) |
C7a—C6a—C10a | 108.0 | C2c—Mo1c—S3c | 98.3 (2) |
C7a—C6a—Mo2a | 71.6 (2) | C3c—Mo1c—C4c | 36.2 (1) |
C10a—C6a—Mo2a | 71.1 (2) | C3c—Mo1c—C5c | 59.6 (1) |
C7a—C6a—H6a | 126.0 | C3c—Mo1c—C11c | 78.9 (3) |
C10a—C6a—H6a | 126.0 | C3c—Mo1c—S1c | 105.2 (2) |
Mo2a—C6a—H6a | 122.9 | C3c—Mo1c—S2c | 142.3 (2) |
C6a—C7a—C8a | 108.0 | C3c—Mo1c—S3c | 134.2 (2) |
C6a—C7a—Mo2a | 73.2 (2) | C4c—Mo1c—C5c | 35.65 (7) |
C8a—C7a—Mo2a | 70.4 (2) | C4c—Mo1c—C11c | 77.0 (2) |
C6a—C7a—H7a | 126.0 | C4c—Mo1c—S1c | 140.7 (2) |
C8a—C7a—H7a | 126.0 | C4c—Mo1c—S2c | 106.3 (2) |
Mo2a—C7a—H7a | 122.1 | C4c—Mo1c—S3c | 136.4 (2) |
C9a—C8a—C7a | 108.0 | C5c—Mo1c—C11c | 109.4 (3) |
C9a—C8a—Mo2a | 71.7 (2) | C5c—Mo1c—S1c | 150.4 (2) |
C7a—C8a—Mo2a | 74.0 (2) | C5c—Mo1c—S2c | 91.7 (1) |
C9a—C8a—H8a | 126.0 | C5c—Mo1c—S3c | 101.1 (2) |
C7a—C8a—H8a | 126.0 | C11c—Mo1c—S1c | 90.2 (2) |
Mo2a—C8a—H8a | 120.2 | C11c—Mo1c—S2c | 89.9 (2) |
C8a—C9a—C10a | 108.0 | C11c—Mo1c—S3c | 144.3 (2) |
C8a—C9a—Mo2a | 72.2 (2) | S1c—Mo1c—S3c | 70.4 (1) |
C10a—C9a—Mo2a | 73.7 (2) | S1c—Mo1c—S2c | 110.7 (1) |
C8a—C9a—H9a | 126.0 | S2c—Mo1c—S3c | 70.8 (1) |
C10a—C9a—H9a | 126.0 | C6c—Mo2c—C7c | 35.3 (1) |
Mo2a—C9a—H9a | 119.9 | C6c—Mo2c—C8c | 59.3 (1) |
C6a—C10a—C9a | 108.0 | C6c—Mo2c—C9c | 59.1 (1) |
C6a—C10a—Mo2a | 73.6 (2) | C6c—Mo2c—C10c | 35.2 (1) |
C9a—C10a—Mo2a | 70.5 (2) | C6c—Mo2c—C12c | 135.1 (2) |
C6a—C10a—H10a | 126.0 | C6c—Mo2c—S1c | 111.7 (2) |
C9a—C10a—H10a | 126.0 | C6c—Mo2c—S2c | 115.7 (2) |
Mo2a—C10a—H10a | 121.6 | C6c—Mo2c—S3c | 80.9 (1) |
O1a—C11a—Mo1a | 173.8 (6) | C7c—Mo2c—C8c | 35.9 (1) |
O2a—C12a—Mo2a | 174.0 (7) | C7c—Mo2c—C9c | 59.6 (1) |
C14a—C13a—S1a | 111.1 (5) | C7c—Mo2c—C10c | 59.0 (1) |
C14a—C13a—H13a | 109.4 | C7c—Mo2c—C12c | 113.8 (3) |
S1a—C13a—H13a | 109.4 | C7c—Mo2c—S1c | 147.0 (2) |
C14a—C13a—H13b | 109.4 | C7c—Mo2c—S2c | 93.0 (1) |
S1a—C13a—H13b | 109.4 | C7c—Mo2c—S3c | 98.0 (2) |
H13a—C13a—H13b | 108.0 | C8c—Mo2c—C9c | 36.1 (1) |
C15a—C14a—C19a | 120.0 | C8c—Mo2c—C10c | 59.5 (1) |
C15a—C14a—C13a | 120.0 (5) | C8c—Mo2c—C12c | 79.7 (2) |
C19a—C14a—C13a | 120.0 (5) | C8c—Mo2c—S1c | 143.0 (2) |
C14a—C15a—C16a | 120.0 | C8c—Mo2c—S2c | 104.7 (2) |
C14a—C15a—H15a | 120.0 | C8c—Mo2c—S3c | 133.8 (2) |
C16a—C15a—H15a | 120.0 | C9c—Mo2c—C10c | 35.6 (1) |
C17a—C16a—C15a | 120.0 | C9c—Mo2c—C12c | 77.3 (2) |
C17a—C16a—H16a | 120.0 | C9c—Mo2c—S1c | 107.1 (2) |
C15a—C16a—H16a | 120.0 | C9c—Mo2c—S2c | 140.0 (2) |
C18a—C17a—C16a | 120.0 | C9c—Mo2c—S3c | 136.5 (2) |
C18a—C17a—H17a | 120.0 | C10c—Mo2c—C12c | 109.4 (3) |
C16a—C17a—H17a | 120.0 | C10c—Mo2c—S1c | 92.1 (1) |
C19a—C18a—C17a | 120.0 | C10c—Mo2c—S2c | 150.3 (2) |
C19a—C18a—H18a | 120.0 | C10c—Mo2c—S3c | 101.3 (2) |
C17a—C18a—H18a | 120.0 | C12c—Mo2c—S1c | 89.5 (2) |
C18a—C19a—C14a | 120.0 | C12c—Mo2c—S2c | 90.2 (2) |
C18a—C19a—H19a | 120.0 | C12c—Mo2c—S3c | 143.9 (2) |
C14a—C19a—H19a | 120.0 | S1c—Mo2c—S2c | 110.7 (1) |
C21a—C20a—S2a | 112.5 (5) | S1c—Mo2c—S3c | 70.5 (1) |
C21a—C20a—H20a | 109.1 | S2c—Mo2c—S3c | 70.7 (1) |
S2a—C20a—H20a | 109.1 | C13c—S1c—Mo2c | 112.4 (3) |
C21a—C20a—H20b | 109.1 | C13c—S1c—Mo1c | 113.4 (3) |
S2a—C20a—H20b | 109.1 | Mo2c—S1c—Mo1c | 69.22 (6) |
H20a—C20a—H20b | 107.8 | C20c—S2c—Mo1c | 112.4 (3) |
C22a—C21a—C26a | 120.0 | C20c—S2c—Mo2c | 112.3 (3) |
C22a—C21a—C20a | 120.0 (5) | Mo1c—S2c—Mo2c | 69.28 (6) |
C26a—C21a—C20a | 120.0 (5) | Mo2c—S3c—Mo1c | 69.94 (6) |
C23a—C22a—C21a | 120.0 | C5c—C1c—C2c | 108.0 |
C23a—C22a—H22a | 120.0 | C5c—C1c—Mo1c | 71.8 (2) |
C21a—C22a—H22a | 120.0 | C2c—C1c—Mo1c | 70.8 (2) |
C22a—C23a—C24a | 120.0 | C5c—C1c—H1c | 126.0 |
C22a—C23a—H23a | 120.0 | C2c—C1c—H1c | 126.0 |
C24a—C23a—H23a | 120.0 | Mo1c—C1c—H1c | 123.1 |
C23a—C24a—C25a | 120.0 | C3c—C2c—C1c | 108.0 |
C23a—C24a—H24a | 120.0 | C3c—C2c—Mo1c | 70.4 (2) |
C25a—C24a—H24a | 120.0 | C1c—C2c—Mo1c | 73.9 (2) |
C26a—C25a—C24a | 120.0 | C3c—C2c—H2c | 126.0 |
C26a—C25a—H25a | 120.0 | C1c—C2c—H2c | 126.0 |
C24a—C25a—H25a | 120.0 | Mo1c—C2c—H2c | 121.5 |
C25a—C26a—C21a | 120.0 | C4c—C3c—C2c | 108.0 |
C25a—C26a—H26a | 120.0 | C4c—C3c—Mo1c | 72.4 (2) |
C21a—C26a—H26a | 120.0 | C2c—C3c—Mo1c | 73.7 (2) |
C1b—Mo1b—C2b | 35.4 (1) | C4c—C3c—H3c | 126.0 |
C1b—Mo1b—C3b | 59.2 (1) | C2c—C3c—H3c | 126.0 |
C1b—Mo1b—C4b | 58.9 (1) | Mo1c—C3c—H3c | 119.7 |
C1b—Mo1b—C5b | 35.1 (1) | C5c—C4c—C3c | 108.0 |
C1b—Mo1b—C11b | 135.3 (2) | C5c—C4c—Mo1c | 74.2 (2) |
C1b—Mo1b—S1b | 117.3 (2) | C3c—C4c—Mo1c | 71.4 (2) |
C1b—Mo1b—S2b | 110.8 (2) | C5c—C4c—H4c | 126.0 |
C1b—Mo1b—S3b | 80.7 (1) | C3c—C4c—H4c | 126.0 |
C2b—Mo1b—C3b | 35.9 (1) | Mo1c—C4c—H4c | 120.3 |
C2b—Mo1b—C4b | 59.5 (1) | C4c—C5c—C1c | 108.0 |
C2b—Mo1b—C5b | 58.9 (1) | C4c—C5c—Mo1c | 70.2 (2) |
C2b—Mo1b—C11b | 116.8 (3) | C1c—C5c—Mo1c | 73.1 (2) |
C2b—Mo1b—S1b | 92.8 (1) | C4c—C5c—H5c | 126.0 |
C2b—Mo1b—S2b | 146.1 (2) | C1c—C5c—H5c | 126.0 |
C2b—Mo1b—S3b | 95.6 (2) | Mo1c—C5c—H5c | 122.4 |
C3b—Mo1b—C4b | 35.9 (1) | C10c—C6c—C7c | 108.0 |
C3b—Mo1b—C5b | 59.3 (1) | C10c—C6c—Mo2c | 71.9 (2) |
C3b—Mo1b—C11b | 82.0 (3) | C7c—C6c—Mo2c | 71.0 (2) |
C3b—Mo1b—S1b | 102.5 (2) | C10c—C6c—H6c | 126.0 |
C3b—Mo1b—S2b | 146.2 (2) | C7c—C6c—H6c | 126.0 |
C3b—Mo1b—S3b | 131.5 (2) | Mo2c—C6c—H6c | 122.7 |
C4b—Mo1b—C5b | 35.4 (1) | C8c—C7c—C6c | 108.0 |
C4b—Mo1b—C11b | 76.7 (2) | C8c—C7c—Mo2c | 70.7 (2) |
C4b—Mo1b—S1b | 137.2 (2) | C6c—C7c—Mo2c | 73.7 (2) |
C4b—Mo1b—S2b | 110.3 (2) | C8c—C7c—H7c | 126.0 |
C4b—Mo1b—S3b | 137.5 (2) | C6c—C7c—H7c | 126.0 |
C5b—Mo1b—C11b | 107.4 (3) | Mo2c—C7c—H7c | 121.3 |
C5b—Mo1b—S1b | 151.0 (2) | C9c—C8c—C7c | 108.0 |
C5b—Mo1b—S2b | 93.5 (1) | C9c—C8c—Mo2c | 72.5 (2) |
C5b—Mo1b—S3b | 103.0 (2) | C7c—C8c—Mo2c | 73.4 (2) |
C11b—Mo1b—S1b | 90.5 (2) | C9c—C8c—H8c | 126.0 |
C11b—Mo1b—S2b | 88.5 (2) | C7c—C8c—H8c | 126.0 |
C11b—Mo1b—S3b | 143.7 (2) | Mo2c—C8c—H8c | 119.9 |
S1b—Mo1b—S2b | 110.0 (1) | C8c—C9c—C10c | 108.0 |
S1b—Mo1b—S3b | 71.1 (1) | C8c—C9c—Mo2c | 71.4 (2) |
S2b—Mo1b—S3b | 70.1 (1) | C10c—C9c—Mo2c | 73.8 (2) |
C6b—Mo2b—C7b | 35.1 (1) | C8c—C9c—H9c | 126.0 |
C6b—Mo2b—C8b | 59.0 (1) | C10c—C9c—H9c | 126.0 |
C6b—Mo2b—C9b | 59.3 (1) | Mo2c—C9c—H9c | 120.5 |
C6b—Mo2b—C10b | 35.3 (1) | C6c—C10c—C9c | 108.0 |
C6b—Mo2b—C12b | 134.0 (2) | C6c—C10c—Mo2c | 72.9 (2) |
C6b—Mo2b—S1b | 112.2 (2) | C9c—C10c—Mo2c | 70.6 (2) |
C6b—Mo2b—S2b | 115.5 (2) | C6c—C10c—H10c | 126.0 |
C6b—Mo2b—S3b | 81.0 (1) | C9c—C10c—H10c | 126.0 |
C7b—Mo2b—C8b | 35.5 (1) | Mo2c—C10c—H10c | 122.2 |
C7b—Mo2b—C9b | 59.4 (1) | O1c—C11c—Mo1c | 174.9 (7) |
C7b—Mo2b—C10b | 58.9 (1) | O2c—C12c—Mo2c | 173.6 (7) |
C7b—Mo2b—C12b | 108.8 (3) | C14c—C13c—S1c | 113.1 (6) |
C7b—Mo2b—S1b | 92.4 (1) | C14c—C13c—H13e | 109.0 |
C7b—Mo2b—S2b | 149.9 (2) | S1c—C13c—H13e | 109.0 |
C7b—Mo2b—S3b | 101.5 (2) | C14c—C13c—H13f | 109.0 |
C8b—Mo2b—C9b | 36.1 (1) | S1c—C13c—H13f | 109.0 |
C8b—Mo2b—C10b | 59.6 (1) | H13e—C13c—H13f | 107.8 |
C8b—Mo2b—C12b | 76.4 (2) | C15c—C14c—C19c | 120.0 |
C8b—Mo2b—S1b | 107.0 (1) | C15c—C14c—C13c | 119.1 (5) |
C8b—Mo2b—S2b | 139.6 (2) | C19c—C14c—C13c | 120.9 (5) |
C8b—Mo2b—S3b | 136.6 (2) | C16c—C15c—C14c | 120.0 |
C9b—Mo2b—C10b | 35.9 (1) | C16c—C15c—H15c | 120.0 |
C9b—Mo2b—C12b | 78.3 (3) | C14c—C15c—H15c | 120.0 |
C9b—Mo2b—S1b | 142.9 (2) | C15c—C16c—C17c | 120.0 |
C9b—Mo2b—S2b | 104.3 (1) | C15c—C16c—H16c | 120.0 |
C9b—Mo2b—S3b | 133.7 (2) | C17c—C16c—H16c | 120.0 |
C10b—Mo2b—C12b | 112.4 (3) | C18c—C17c—C16c | 120.0 |
C10b—Mo2b—S1b | 147.4 (2) | C18c—C17c—H17c | 120.0 |
C10b—Mo2b—S2b | 92.7 (1) | C16c—C17c—H17c | 120.0 |
C10b—Mo2b—S3b | 97.8 (2) | C17c—C18c—C19c | 120.0 |
C12b—Mo2b—S1b | 90.3 (2) | C17c—C18c—H18c | 120.0 |
C12b—Mo2b—S2b | 90.2 (2) | C19c—C18c—H18c | 120.0 |
C12b—Mo2b—S3b | 145.1 (2) | C18c—C19c—C14c | 120.0 |
S1b—Mo2b—S2b | 111.02 (7) | C18c—C19c—H19c | 120.0 |
S1b—Mo2b—S3b | 71.23 (7) | C14c—C19c—H19c | 120.0 |
S2b—Mo2b—S3b | 70.49 (6) | C21c—C20c—S2c | 111.9 (5) |
C13b—S1b—Mo2b | 112.9 (3) | C21c—C20c—H20e | 109.2 |
C13b—S1b—Mo1b | 112.9 (3) | S2c—C20c—H20e | 109.2 |
Mo2b—S1b—Mo1b | 69.53 (6) | C21c—C20c—H20f | 109.2 |
C20b—S2b—Mo2b | 112.1 (2) | S2c—C20c—H20f | 109.2 |
C20b—S2b—Mo1b | 113.9 (3) | H20e—C20c—H20f | 107.9 |
Mo2b—S2b—Mo1b | 69.42 (5) | C22c—C21c—C26c | 120.0 |
Mo1b—S3b—Mo2b | 70.10 (5) | C22c—C21c—C20c | 121.0 (5) |
C5b—C1b—C2b | 108.0 | C26c—C21c—C20c | 119.0 (5) |
C5b—C1b—Mo1b | 72.3 (2) | C21c—C22c—C23c | 120.0 |
C2b—C1b—Mo1b | 70.8 (2) | C21c—C22c—H22c | 120.0 |
C5b—C1b—H1b | 126.0 | C23c—C22c—H22c | 120.0 |
C2b—C1b—H1b | 126.0 | C22c—C23c—C24c | 120.0 |
Mo1b—C1b—H1b | 122.5 | C22c—C23c—H23c | 120.0 |
C1b—C2b—C3b | 108.0 | C24c—C23c—H23c | 120.0 |
C1b—C2b—Mo1b | 73.8 (2) | C25c—C24c—C23c | 120.0 |
C3b—C2b—Mo1b | 71.0 (2) | C25c—C24c—H24c | 120.0 |
C1b—C2b—H2b | 126.0 | C23c—C24c—H24c | 120.0 |
C3b—C2b—H2b | 126.0 | C24c—C25c—C26c | 120.0 |
Mo1b—C2b—H2b | 120.9 | C24c—C25c—H25c | 120.0 |
C4b—C3b—C2b | 108.0 | C26c—C25c—H25c | 120.0 |
C4b—C3b—Mo1b | 72.9 (2) | C25c—C26c—C21c | 120.0 |
C2b—C3b—Mo1b | 73.1 (2) | C25c—C26c—H26c | 120.0 |
C4b—C3b—H3b | 126.0 | C21c—C26c—H26c | 120.0 |
C12a—Mo2a—S1a—C13a | 18.6 (4) | C2b—C3b—C4b—Mo1b | −65.2 (2) |
C9a—Mo2a—S1a—C13a | −57.7 (3) | C11b—Mo1b—C4b—C5b | 149.3 (3) |
C8a—Mo2a—S1a—C13a | −52.2 (4) | C3b—Mo1b—C4b—C5b | −116.0 (1) |
C10a—Mo2a—S1a—C13a | −91.1 (3) | C2b—Mo1b—C4b—C5b | −78.1 (1) |
C7a—Mo2a—S1a—C13a | −115.5 (4) | C1b—Mo1b—C4b—C5b | −36.8 (1) |
C6a—Mo2a—S1a—C13a | −120.4 (3) | S3b—Mo1b—C4b—C5b | −16.5 (3) |
S3a—Mo2a—S1a—C13a | 167.9 (3) | S1b—Mo1b—C4b—C5b | −134.7 (3) |
S2a—Mo2a—S1a—C13a | 109.2 (3) | S2b—Mo1b—C4b—C5b | 65.9 (2) |
C12a—Mo2a—S1a—Mo1a | −89.1 (2) | C11b—Mo1b—C4b—C3b | −94.7 (3) |
C9a—Mo2a—S1a—Mo1a | −165.4 (1) | C2b—Mo1b—C4b—C3b | 37.87 (8) |
C8a—Mo2a—S1a—Mo1a | −159.9 (2) | C5b—Mo1b—C4b—C3b | 116.0 (1) |
C10a—Mo2a—S1a—Mo1a | 161.2 (2) | C1b—Mo1b—C4b—C3b | 79.3 (1) |
C7a—Mo2a—S1a—Mo1a | 136.8 (3) | S3b—Mo1b—C4b—C3b | 99.6 (3) |
C6a—Mo2a—S1a—Mo1a | 131.9 (1) | S1b—Mo1b—C4b—C3b | −18.7 (3) |
S3a—Mo2a—S1a—Mo1a | 60.2 (1) | S2b—Mo1b—C4b—C3b | −178.1 (2) |
S2a—Mo2a—S1a—Mo1a | 1.5 (1) | Mo1b—C1b—C5b—C4b | −62.2 (2) |
C11a—Mo1a—S1a—C13a | −18.7 (4) | C2b—C1b—C5b—Mo1b | 62.2 (2) |
C4a—Mo1a—S1a—C13a | 50.3 (4) | Mo1b—C4b—C5b—C1b | 63.4 (2) |
C3a—Mo1a—S1a—C13a | 59.5 (3) | C3b—C4b—C5b—Mo1b | −63.4 (2) |
C5a—Mo1a—S1a—C13a | 115.1 (4) | C11b—Mo1b—C5b—C1b | −148.3 (3) |
C2a—Mo1a—S1a—C13a | 93.7 (3) | C3b—Mo1b—C5b—C1b | −79.1 (1) |
C1a—Mo1a—S1a—C13a | 122.5 (3) | C4b—Mo1b—C5b—C1b | −116.9 (1) |
S3a—Mo1a—S1a—C13a | −166.8 (3) | C2b—Mo1b—C5b—C1b | −37.0 (1) |
S2a—Mo1a—S1a—C13a | −107.9 (3) | S3b—Mo1b—C5b—C1b | 51.7 (2) |
C11a—Mo1a—S1a—Mo2a | 87.6 (2) | S1b—Mo1b—C5b—C1b | −22.7 (5) |
C4a—Mo1a—S1a—Mo2a | 156.6 (2) | S2b—Mo1b—C5b—C1b | 122.2 (2) |
C3a—Mo1a—S1a—Mo2a | 165.9 (1) | C11b—Mo1b—C5b—C4b | −31.4 (3) |
C5a—Mo1a—S1a—Mo2a | −138.6 (3) | C3b—Mo1b—C5b—C4b | 37.8 (1) |
C2a—Mo1a—S1a—Mo2a | −159.9 (2) | C2b—Mo1b—C5b—C4b | 79.9 (1) |
C1a—Mo1a—S1a—Mo2a | −131.1 (1) | C1b—Mo1b—C5b—C4b | 116.9 (1) |
S3a—Mo1a—S1a—Mo2a | −60.5 (1) | S3b—Mo1b—C5b—C4b | 168.7 (2) |
S2a—Mo1a—S1a—Mo2a | −1.5 (1) | S1b—Mo1b—C5b—C4b | 94.2 (5) |
C11a—Mo1a—S2a—C20a | 18.7 (4) | S2b—Mo1b—C5b—C4b | −120.9 (2) |
C4a—Mo1a—S2a—C20a | −57.2 (3) | C12b—Mo2b—C6b—C7b | 53.7 (5) |
C3a—Mo1a—S2a—C20a | −51.6 (4) | C9b—Mo2b—C6b—C7b | 79.4 (1) |
C5a—Mo1a—S2a—C20a | −90.6 (3) | C8b—Mo2b—C6b—C7b | 37.2 (1) |
C2a—Mo1a—S2a—C20a | −114.1 (4) | C10b—Mo2b—C6b—C7b | 117.2 (1) |
C1a—Mo1a—S2a—C20a | −119.7 (3) | S3b—Mo2b—C6b—C7b | −125.3 (2) |
S3a—Mo1a—S2a—C20a | 168.0 (3) | S2b—Mo2b—C6b—C7b | 171.5 (2) |
S1a—Mo1a—S2a—C20a | 108.9 (3) | S1b—Mo2b—C6b—C7b | −59.9 (2) |
C11a—Mo1a—S2a—Mo2a | −88.7 (2) | C12b—Mo2b—C6b—C10b | −63.5 (5) |
C4a—Mo1a—S2a—Mo2a | −164.5 (2) | C9b—Mo2b—C6b—C10b | −37.7 (1) |
C3a—Mo1a—S2a—Mo2a | −159.0 (2) | C8b—Mo2b—C6b—C10b | −80.0 (1) |
C5a—Mo1a—S2a—Mo2a | 162.1 (2) | C7b—Mo2b—C6b—C10b | −117.2 (1) |
C2a—Mo1a—S2a—Mo2a | 138.5 (2) | S3b—Mo2b—C6b—C10b | 117.5 (2) |
C1a—Mo1a—S2a—Mo2a | 132.9 (1) | S2b—Mo2b—C6b—C10b | 54.3 (2) |
S3a—Mo1a—S2a—Mo2a | 60.7 (1) | S1b—Mo2b—C6b—C10b | −177.1 (2) |
S1a—Mo1a—S2a—Mo2a | 1.53 (7) | C10b—C6b—C7b—C8b | 0.0 |
C12a—Mo2a—S2a—C20a | −17.2 (4) | Mo2b—C6b—C7b—C8b | −62.1 (2) |
C9a—Mo2a—S2a—C20a | 52.1 (4) | C10b—C6b—C7b—Mo2b | 62.1 (2) |
C8a—Mo2a—S2a—C20a | 60.7 (3) | C12b—Mo2b—C7b—C6b | −142.2 (3) |
C10a—Mo2a—S2a—C20a | 116.6 (4) | C9b—Mo2b—C7b—C6b | −79.0 (1) |
C7a—Mo2a—S2a—C20a | 94.8 (3) | C8b—Mo2b—C7b—C6b | −116.9 (1) |
C6a—Mo2a—S2a—C20a | 123.6 (3) | C10b—Mo2b—C7b—C6b | −36.9 (1) |
S3a—Mo2a—S2a—C20a | −166.5 (3) | S3b—Mo2b—C7b—C6b | 55.3 (2) |
S1a—Mo2a—S2a—C20a | −107.5 (3) | S2b—Mo2b—C7b—C6b | −15.5 (4) |
C12a—Mo2a—S2a—Mo1a | 88.8 (2) | S1b—Mo2b—C7b—C6b | 126.7 (2) |
C9a—Mo2a—S2a—Mo1a | 158.0 (2) | C12b—Mo2b—C7b—C8b | −25.3 (3) |
C8a—Mo2a—S2a—Mo1a | 166.7 (1) | C9b—Mo2b—C7b—C8b | 37.96 (8) |
C10a—Mo2a—S2a—Mo1a | −137.5 (3) | C10b—Mo2b—C7b—C8b | 80.0 (1) |
C7a—Mo2a—S2a—Mo1a | −159.3 (2) | C6b—Mo2b—C7b—C8b | 116.9 (1) |
C6a—Mo2a—S2a—Mo1a | −130.5 (1) | S3b—Mo2b—C7b—C8b | 172.3 (2) |
S3a—Mo2a—S2a—Mo1a | −60.6 (1) | S2b—Mo2b—C7b—C8b | 101.4 (4) |
S1a—Mo2a—S2a—Mo1a | −1.53 (7) | S1b—Mo2b—C7b—C8b | −116.4 (2) |
C11a—Mo1a—S3a—Mo2a | −2.1 (4) | Mo2b—C7b—C8b—C9b | −63.6 (2) |
C4a—Mo1a—S3a—Mo2a | −152.8 (2) | C6b—C7b—C8b—Mo2b | 63.6 (2) |
C3a—Mo1a—S3a—Mo2a | 153.9 (2) | C12b—Mo2b—C8b—C9b | −88.7 (3) |
C5a—Mo1a—S3a—Mo2a | −148.6 (1) | C10b—Mo2b—C8b—C9b | 37.9 (1) |
C2a—Mo1a—S3a—Mo2a | 151.3 (1) | C7b—Mo2b—C8b—C9b | 115.9 (1) |
C1a—Mo1a—S3a—Mo2a | −178.4 (2) | C6b—Mo2b—C8b—C9b | 79.2 (1) |
S2a—Mo1a—S3a—Mo2a | −61.1 (1) | S3b—Mo2b—C8b—C9b | 104.8 (3) |
S1a—Mo1a—S3a—Mo2a | 60.6 (1) | S2b—Mo2b—C8b—C9b | −14.8 (3) |
C12a—Mo2a—S3a—Mo1a | 0.1 (4) | S1b—Mo2b—C8b—C9b | −174.7 (2) |
C9a—Mo2a—S3a—Mo1a | −153.7 (2) | C12b—Mo2b—C8b—C7b | 155.4 (3) |
C8a—Mo2a—S3a—Mo1a | 153.6 (2) | C9b—Mo2b—C8b—C7b | −115.9 (1) |
C10a—Mo2a—S3a—Mo1a | −148.8 (1) | C10b—Mo2b—C8b—C7b | −78.0 (1) |
C7a—Mo2a—S3a—Mo1a | 151.2 (1) | C6b—Mo2b—C8b—C7b | −36.7 (1) |
C6a—Mo2a—S3a—Mo1a | −178.4 (2) | S3b—Mo2b—C8b—C7b | −11.1 (3) |
S1a—Mo2a—S3a—Mo1a | −60.8 (1) | S2b—Mo2b—C8b—C7b | −130.7 (3) |
S2a—Mo2a—S3a—Mo1a | 60.8 (1) | S1b—Mo2b—C8b—C7b | 69.4 (2) |
C11a—Mo1a—C1a—C2a | 62.7 (4) | Mo2b—C8b—C9b—C10b | −65.4 (2) |
C4a—Mo1a—C1a—C2a | 79.6 (1) | C7b—C8b—C9b—Mo2b | 65.4 (2) |
C3a—Mo1a—C1a—C2a | 37.4 (1) | C12b—Mo2b—C9b—C8b | 83.0 (3) |
C5a—Mo1a—C1a—C2a | 117.2 (1) | C10b—Mo2b—C9b—C8b | −115.5 (1) |
S3a—Mo1a—C1a—C2a | −120.5 (2) | C7b—Mo2b—C9b—C8b | −37.4 (1) |
S2a—Mo1a—C1a—C2a | 174.7 (2) | C6b—Mo2b—C9b—C8b | −78.4 (1) |
S1a—Mo1a—C1a—C2a | −56.5 (2) | S3b—Mo2b—C9b—C8b | −113.3 (3) |
C11a—Mo1a—C1a—C5a | −54.5 (4) | S2b—Mo2b—C9b—C8b | 170.2 (2) |
C4a—Mo1a—C1a—C5a | −37.6 (1) | S1b—Mo2b—C9b—C8b | 8.3 (3) |
C3a—Mo1a—C1a—C5a | −79.8 (1) | C12b—Mo2b—C9b—C10b | −161.5 (3) |
C2a—Mo1a—C1a—C5a | −117.2 (1) | C8b—Mo2b—C9b—C10b | 115.5 (1) |
S3a—Mo1a—C1a—C5a | 122.4 (2) | C7b—Mo2b—C9b—C10b | 78.1 (1) |
S2a—Mo1a—C1a—C5a | 57.6 (2) | C6b—Mo2b—C9b—C10b | 37.1 (1) |
S1a—Mo1a—C1a—C5a | −173.7 (2) | S3b—Mo2b—C9b—C10b | 2.2 (3) |
Mo1a—C1a—C2a—C3a | −62.3 (2) | S2b—Mo2b—C9b—C10b | −74.3 (2) |
C5a—C1a—C2a—Mo1a | 62.3 (2) | S1b—Mo2b—C9b—C10b | 123.8 (3) |
C11a—Mo1a—C2a—C1a | −136.5 (3) | Mo2b—C9b—C10b—C6b | −65.0 (2) |
C4a—Mo1a—C2a—C1a | −78.7 (1) | C8b—C9b—C10b—Mo2b | 65.0 (2) |
C3a—Mo1a—C2a—C1a | −116.7 (1) | Mo2b—C6b—C10b—C9b | 62.9 (2) |
C5a—Mo1a—C2a—C1a | −36.8 (1) | C7b—C6b—C10b—Mo2b | −62.9 (2) |
S3a—Mo1a—C2a—C1a | 60.2 (2) | C12b—Mo2b—C10b—C9b | 19.6 (3) |
S2a—Mo1a—C2a—C1a | −9.0 (3) | C8b—Mo2b—C10b—C9b | −38.02 (8) |
S1a—Mo1a—C2a—C1a | 131.2 (2) | C7b—Mo2b—C10b—C9b | −79.6 (1) |
C11a—Mo1a—C2a—C3a | −19.8 (3) | C6b—Mo2b—C10b—C9b | −116.2 (1) |
C4a—Mo1a—C2a—C3a | 38.0 (1) | S3b—Mo2b—C10b—C9b | −178.4 (2) |
C5a—Mo1a—C2a—C3a | 79.9 (1) | S2b—Mo2b—C10b—C9b | 111.0 (2) |
C1a—Mo1a—C2a—C3a | 116.7 (1) | S1b—Mo2b—C10b—C9b | −111.3 (3) |
S3a—Mo1a—C2a—C3a | 176.9 (2) | C12b—Mo2b—C10b—C6b | 135.8 (3) |
S2a—Mo1a—C2a—C3a | 107.7 (3) | C9b—Mo2b—C10b—C6b | 116.2 (1) |
S1a—Mo1a—C2a—C3a | −112.1 (2) | C8b—Mo2b—C10b—C6b | 78.2 (1) |
Mo1a—C2a—C3a—C4a | −64.1 (2) | C7b—Mo2b—C10b—C6b | 36.7 (1) |
C1a—C2a—C3a—Mo1a | 64.1 (2) | S3b—Mo2b—C10b—C6b | −62.1 (2) |
C11a—Mo1a—C3a—C2a | 161.4 (3) | S2b—Mo2b—C10b—C6b | −132.8 (2) |
C4a—Mo1a—C3a—C2a | −115.8 (1) | S1b—Mo2b—C10b—C6b | 5.0 (3) |
C5a—Mo1a—C3a—C2a | −78.1 (1) | Mo2b—S1b—C13b—C14b | −67.5 (6) |
C1a—Mo1a—C3a—C2a | −36.9 (1) | Mo1b—S1b—C13b—C14b | −143.9 (5) |
S3a—Mo1a—C3a—C2a | −4.4 (3) | S1b—C13b—C14b—C15b | −52.4 (7) |
S2a—Mo1a—C3a—C2a | −124.9 (3) | S1b—C13b—C14b—C19b | 129.9 (5) |
S1a—Mo1a—C3a—C2a | 74.1 (2) | C13b—C14b—C15b—C16b | −177.6 (6) |
C11a—Mo1a—C3a—C4a | −82.9 (3) | C13b—C14b—C19b—C18b | 177.6 (6) |
C5a—Mo1a—C3a—C4a | 37.70 (8) | Mo2b—S2b—C20b—C21b | −168.9 (4) |
C2a—Mo1a—C3a—C4a | 115.8 (1) | Mo1b—S2b—C20b—C21b | −92.6 (5) |
C1a—Mo1a—C3a—C4a | 78.9 (1) | S2b—C20b—C21b—C22b | −88.9 (5) |
S3a—Mo1a—C3a—C4a | 111.4 (3) | S2b—C20b—C21b—C26b | 86.9 (6) |
S2a—Mo1a—C3a—C4a | −9.1 (3) | C20b—C21b—C22b—C23b | 175.8 (5) |
S1a—Mo1a—C3a—C4a | −170.1 (2) | C20b—C21b—C26b—C25b | −175.7 (5) |
Mo1a—C3a—C4a—C5a | −65.4 (2) | C12c—Mo2c—S1c—C13c | 18.7 (4) |
C2a—C3a—C4a—Mo1a | 65.4 (2) | C8c—Mo2c—S1c—C13c | −53.4 (4) |
C11a—Mo1a—C4a—C5a | −155.4 (3) | C9c—Mo2c—S1c—C13c | −57.9 (3) |
C3a—Mo1a—C4a—C5a | 115.6 (1) | C7c—Mo2c—S1c—C13c | −118.0 (4) |
C2a—Mo1a—C4a—C5a | 78.1 (1) | C10c—Mo2c—S1c—C13c | −90.7 (3) |
C1a—Mo1a—C4a—C5a | 36.97 (8) | C6c—Mo2c—S1c—C13c | −120.8 (3) |
S3a—Mo1a—C4a—C5a | 7.1 (3) | S3c—Mo2c—S1c—C13c | 168.0 (3) |
S2a—Mo1a—C4a—C5a | −70.3 (2) | S2c—Mo2c—S1c—C13c | 108.7 (3) |
S1a—Mo1a—C4a—C5a | 130.9 (3) | C12c—Mo2c—S1c—Mo1c | −89.0 (2) |
C11a—Mo1a—C4a—C3a | 88.9 (3) | C8c—Mo2c—S1c—Mo1c | −161.0 (2) |
C5a—Mo1a—C4a—C3a | −115.6 (1) | C9c—Mo2c—S1c—Mo1c | −165.5 (1) |
C2a—Mo1a—C4a—C3a | −37.5 (1) | C7c—Mo2c—S1c—Mo1c | 134.4 (3) |
C1a—Mo1a—C4a—C3a | −78.7 (1) | C10c—Mo2c—S1c—Mo1c | 161.6 (2) |
S3a—Mo1a—C4a—C3a | −108.5 (3) | C6c—Mo2c—S1c—Mo1c | 131.6 (2) |
S2a—Mo1a—C4a—C3a | 174.1 (2) | S3c—Mo2c—S1c—Mo1c | 60.4 (1) |
S1a—Mo1a—C4a—C3a | 15.3 (3) | S2c—Mo2c—S1c—Mo1c | 1.01 (7) |
Mo1a—C4a—C5a—C1a | −64.5 (2) | C11c—Mo1c—S1c—C13c | −17.3 (4) |
C3a—C4a—C5a—Mo1a | 64.5 (2) | C3c—Mo1c—S1c—C13c | 61.3 (3) |
Mo1a—C1a—C5a—C4a | 62.6 (2) | C4c—Mo1c—S1c—C13c | 52.2 (4) |
C2a—C1a—C5a—Mo1a | −62.6 (2) | C2c—Mo1c—S1c—C13c | 95.8 (3) |
C11a—Mo1a—C5a—C4a | 25.4 (3) | C5c—Mo1c—S1c—C13c | 115.6 (4) |
C3a—Mo1a—C5a—C4a | −38.0 (1) | C1c—Mo1c—S1c—C13c | 124.2 (3) |
C2a—Mo1a—C5a—C4a | −79.7 (1) | S3c—Mo1c—S1c—C13c | −166.7 (3) |
C1a—Mo1a—C5a—C4a | −116.5 (1) | S2c—Mo1c—S1c—C13c | −107.3 (3) |
S3a—Mo1a—C5a—C4a | −175.0 (2) | C11c—Mo1c—S1c—Mo2c | 88.9 (2) |
S2a—Mo1a—C5a—C4a | 114.8 (2) | C3c—Mo1c—S1c—Mo2c | 167.5 (2) |
S1a—Mo1a—C5a—C4a | −104.8 (4) | C4c—Mo1c—S1c—Mo2c | 158.4 (2) |
C11a—Mo1a—C5a—C1a | 141.8 (3) | C2c—Mo1c—S1c—Mo2c | −158.0 (2) |
C4a—Mo1a—C5a—C1a | 116.5 (1) | C5c—Mo1c—S1c—Mo2c | −138.2 (3) |
C3a—Mo1a—C5a—C1a | 78.5 (1) | C1c—Mo1c—S1c—Mo2c | −129.6 (2) |
C2a—Mo1a—C5a—C1a | 36.7 (1) | S3c—Mo1c—S1c—Mo2c | −60.4 (1) |
S3a—Mo1a—C5a—C1a | −58.6 (2) | S2c—Mo1c—S1c—Mo2c | −1.02 (7) |
S2a—Mo1a—C5a—C1a | −128.7 (2) | C11c—Mo1c—S2c—C20c | 17.3 (3) |
S1a—Mo1a—C5a—C1a | 11.7 (4) | C3c—Mo1c—S2c—C20c | −54.2 (4) |
C12a—Mo2a—C6a—C7a | 61.4 (4) | C4c—Mo1c—S2c—C20c | −59.1 (3) |
C9a—Mo2a—C6a—C7a | 79.7 (1) | C2c—Mo1c—S2c—C20c | −118.2 (4) |
C8a—Mo2a—C6a—C7a | 37.4 (1) | C5c—Mo1c—S2c—C20c | −92.1 (3) |
C10a—Mo2a—C6a—C7a | 117.3 (1) | C1c—Mo1c—S2c—C20c | −121.8 (3) |
S3a—Mo2a—C6a—C7a | −119.8 (2) | S3c—Mo1c—S2c—C20c | 166.7 (3) |
S1a—Mo2a—C6a—C7a | 175.4 (2) | S1c—Mo1c—S2c—C20c | 107.5 (3) |
S2a—Mo2a—C6a—C7a | −56.7 (2) | C11c—Mo1c—S2c—Mo2c | −89.2 (2) |
C12a—Mo2a—C6a—C10a | −55.8 (4) | C3c—Mo1c—S2c—Mo2c | −160.7 (2) |
C9a—Mo2a—C6a—C10a | −37.6 (1) | C4c—Mo1c—S2c—Mo2c | −165.6 (2) |
C8a—Mo2a—C6a—C10a | −79.9 (1) | C2c—Mo1c—S2c—Mo2c | 135.3 (3) |
C7a—Mo2a—C6a—C10a | −117.3 (1) | C5c—Mo1c—S2c—Mo2c | 161.4 (2) |
S3a—Mo2a—C6a—C10a | 122.9 (2) | C1c—Mo1c—S2c—Mo2c | 131.7 (2) |
S1a—Mo2a—C6a—C10a | 58.1 (2) | S3c—Mo1c—S2c—Mo2c | 60.2 (1) |
S2a—Mo2a—C6a—C10a | −174.0 (2) | S1c—Mo1c—S2c—Mo2c | 1.0 (1) |
Mo2a—C6a—C7a—C8a | −62.2 (2) | C12c—Mo2c—S2c—C20c | −18.1 (4) |
C10a—C6a—C7a—Mo2a | 62.2 (2) | C8c—Mo2c—S2c—C20c | 61.3 (3) |
C12a—Mo2a—C7a—C6a | −137.3 (3) | C9c—Mo2c—S2c—C20c | 52.2 (4) |
C9a—Mo2a—C7a—C6a | −78.7 (1) | C7c—Mo2c—S2c—C20c | 95.8 (3) |
C8a—Mo2a—C7a—C6a | −116.7 (1) | C10c—Mo2c—S2c—C20c | 114.4 (4) |
C10a—Mo2a—C7a—C6a | −36.8 (1) | C6c—Mo2c—S2c—C20c | 124.0 (3) |
S3a—Mo2a—C7a—C6a | 60.4 (2) | S3c—Mo2c—S2c—C20c | −166.9 (3) |
S1a—Mo2a—C7a—C6a | −8.0 (4) | S1c—Mo2c—S2c—C20c | −107.6 (3) |
S2a—Mo2a—C7a—C6a | 130.7 (2) | C12c—Mo2c—S2c—Mo1c | 88.5 (2) |
C12a—Mo2a—C7a—C8a | −20.5 (3) | C8c—Mo2c—S2c—Mo1c | 167.9 (2) |
C9a—Mo2a—C7a—C8a | 38.03 (8) | C9c—Mo2c—S2c—Mo1c | 158.8 (2) |
C10a—Mo2a—C7a—C8a | 80.0 (1) | C7c—Mo2c—S2c—Mo1c | −157.7 (2) |
C6a—Mo2a—C7a—C8a | 116.7 (1) | C10c—Mo2c—S2c—Mo1c | −139.0 (3) |
S3a—Mo2a—C7a—C8a | 177.2 (2) | C6c—Mo2c—S2c—Mo1c | −129.4 (1) |
S1a—Mo2a—C7a—C8a | 108.7 (3) | S3c—Mo2c—S2c—Mo1c | −60.3 (1) |
S2a—Mo2a—C7a—C8a | −112.5 (2) | S1c—Mo2c—S2c—Mo1c | −1.02 (7) |
Mo2a—C7a—C8a—C9a | −64.0 (2) | C12c—Mo2c—S3c—Mo1c | −1.0 (4) |
C6a—C7a—C8a—Mo2a | 64.0 (2) | C8c—Mo2c—S3c—Mo1c | 152.6 (2) |
C12a—Mo2a—C8a—C9a | −83.7 (3) | C9c—Mo2c—S3c—Mo1c | −155.5 (2) |
C10a—Mo2a—C8a—C9a | 37.7 (1) | C7c—Mo2c—S3c—Mo1c | 151.0 (1) |
C7a—Mo2a—C8a—C9a | 115.7 (1) | C10c—Mo2c—S3c—Mo1c | −149.2 (1) |
C6a—Mo2a—C8a—C9a | 78.9 (1) | C6c—Mo2c—S3c—Mo1c | −178.0 (2) |
S3a—Mo2a—C8a—C9a | 111.8 (3) | S1c—Mo2c—S3c—Mo1c | −60.9 (1) |
S1a—Mo2a—C8a—C9a | −8.9 (3) | S2c—Mo2c—S3c—Mo1c | 60.6 (1) |
S2a—Mo2a—C8a—C9a | −170.8 (2) | C11c—Mo1c—S3c—Mo2c | 0.0 (4) |
C12a—Mo2a—C8a—C7a | 160.6 (3) | C3c—Mo1c—S3c—Mo2c | 153.2 (2) |
C9a—Mo2a—C8a—C7a | −115.7 (1) | C4c—Mo1c—S3c—Mo2c | −154.5 (2) |
C10a—Mo2a—C8a—C7a | −78.0 (1) | C2c—Mo1c—S3c—Mo2c | 151.4 (1) |
C6a—Mo2a—C8a—C7a | −36.80 (8) | C5c—Mo1c—S3c—Mo2c | −148.7 (1) |
S3a—Mo2a—C8a—C7a | −3.9 (3) | C1c—Mo1c—S3c—Mo2c | −177.7 (2) |
S1a—Mo2a—C8a—C7a | −124.6 (3) | S2c—Mo1c—S3c—Mo2c | −60.8 (1) |
S2a—Mo2a—C8a—C7a | 73.4 (2) | S1c—Mo1c—S3c—Mo2c | 60.7 (1) |
Mo2a—C8a—C9a—C10a | −65.5 (2) | C11c—Mo1c—C1c—C5c | −53.8 (5) |
C7a—C8a—C9a—Mo2a | 65.5 (2) | C3c—Mo1c—C1c—C5c | −79.7 (1) |
C12a—Mo2a—C9a—C8a | 88.1 (3) | C4c—Mo1c—C1c—C5c | −37.3 (1) |
C10a—Mo2a—C9a—C8a | −115.6 (1) | C2c—Mo1c—C1c—C5c | −117.3 (1) |
C7a—Mo2a—C9a—C8a | −37.6 (1) | S3c—Mo1c—C1c—C5c | 124.3 (2) |
C6a—Mo2a—C9a—C8a | −78.6 (1) | S2c—Mo1c—C1c—C5c | 59.3 (2) |
S3a—Mo2a—C9a—C8a | −107.3 (3) | S1c—Mo1c—C1c—C5c | −172.7 (2) |
S1a—Mo2a—C9a—C8a | 174.3 (2) | C11c—Mo1c—C1c—C2c | 63.6 (5) |
S2a—Mo2a—C9a—C8a | 14.2 (3) | C3c—Mo1c—C1c—C2c | 37.7 (1) |
C12a—Mo2a—C9a—C10a | −156.4 (3) | C4c—Mo1c—C1c—C2c | 80.1 (1) |
C8a—Mo2a—C9a—C10a | 115.6 (1) | C5c—Mo1c—C1c—C2c | 117.3 (1) |
C7a—Mo2a—C9a—C10a | 78.0 (1) | S3c—Mo1c—C1c—C2c | −118.4 (2) |
C6a—Mo2a—C9a—C10a | 37.0 (1) | S2c—Mo1c—C1c—C2c | 176.6 (2) |
S3a—Mo2a—C9a—C10a | 8.3 (3) | S1c—Mo1c—C1c—C2c | −55.3 (2) |
S1a—Mo2a—C9a—C10a | −70.1 (2) | Mo1c—C1c—C2c—C3c | −62.5 (2) |
S2a—Mo2a—C9a—C10a | 129.8 (3) | C5c—C1c—C2c—Mo1c | 62.5 (2) |
Mo2a—C6a—C10a—C9a | 62.5 (2) | C11c—Mo1c—C2c—C3c | −19.8 (3) |
C7a—C6a—C10a—Mo2a | −62.5 (2) | C4c—Mo1c—C2c—C3c | 38.12 (8) |
Mo2a—C9a—C10a—C6a | −64.6 (2) | C5c—Mo1c—C2c—C3c | 79.8 (1) |
C8a—C9a—C10a—Mo2a | 64.6 (2) | C1c—Mo1c—C2c—C3c | 116.4 (1) |
C12a—Mo2a—C10a—C6a | 141.0 (3) | S3c—Mo1c—C2c—C3c | 177.8 (2) |
C9a—Mo2a—C10a—C6a | 116.5 (1) | S2c—Mo1c—C2c—C3c | 110.6 (4) |
C8a—Mo2a—C10a—C6a | 78.4 (1) | S1c—Mo1c—C2c—C3c | −111.5 (2) |
C7a—Mo2a—C10a—C6a | 36.7 (1) | C11c—Mo1c—C2c—C1c | −136.2 (3) |
S3a—Mo2a—C10a—C6a | −57.7 (2) | C3c—Mo1c—C2c—C1c | −116.4 (1) |
S1a—Mo2a—C10a—C6a | −128.3 (2) | C4c—Mo1c—C2c—C1c | −78.3 (1) |
S2a—Mo2a—C10a—C6a | 11.0 (4) | C5c—Mo1c—C2c—C1c | −36.6 (1) |
C12a—Mo2a—C10a—C9a | 24.5 (3) | S3c—Mo1c—C2c—C1c | 61.5 (2) |
C8a—Mo2a—C10a—C9a | −38.1 (1) | S2c—Mo1c—C2c—C1c | −5.8 (4) |
C7a—Mo2a—C10a—C9a | −79.8 (1) | S1c—Mo1c—C2c—C1c | 132.1 (2) |
C6a—Mo2a—C10a—C9a | −116.5 (1) | Mo1c—C2c—C3c—C4c | −64.8 (2) |
S3a—Mo2a—C10a—C9a | −174.2 (2) | C1c—C2c—C3c—Mo1c | 64.8 (2) |
S1a—Mo2a—C10a—C9a | 115.2 (2) | C11c—Mo1c—C3c—C4c | −83.1 (3) |
S2a—Mo2a—C10a—C9a | −105.5 (4) | C2c—Mo1c—C3c—C4c | 115.5 (1) |
Mo2a—S1a—C13a—C14a | 73.3 (6) | C5c—Mo1c—C3c—C4c | 37.5 (1) |
Mo1a—S1a—C13a—C14a | 149.6 (5) | C1c—Mo1c—C3c—C4c | 78.5 (1) |
S1a—C13a—C14a—C15a | 60.2 (7) | S3c—Mo1c—C3c—C4c | 112.5 (3) |
S1a—C13a—C14a—C19a | −119.5 (5) | S2c—Mo1c—C3c—C4c | −7.9 (3) |
C13a—C14a—C15a—C16a | −179.7 (6) | S1c—Mo1c—C3c—C4c | −170.2 (2) |
C13a—C14a—C19a—C18a | 179.7 (6) | C11c—Mo1c—C3c—C2c | 161.5 (3) |
Mo1a—S2a—C20a—C21a | 68.9 (6) | C4c—Mo1c—C3c—C2c | −115.5 (1) |
Mo2a—S2a—C20a—C21a | 144.9 (5) | C5c—Mo1c—C3c—C2c | −78.0 (1) |
S2a—C20a—C21a—C22a | 52.4 (7) | C1c—Mo1c—C3c—C2c | −37.0 (1) |
S2a—C20a—C21a—C26a | −130.1 (5) | S3c—Mo1c—C3c—C2c | −3.0 (3) |
C20a—C21a—C22a—C23a | 177.5 (6) | S2c—Mo1c—C3c—C2c | −123.4 (3) |
C20a—C21a—C26a—C25a | −177.5 (6) | S1c—Mo1c—C3c—C2c | 74.3 (2) |
C12b—Mo2b—S1b—C13b | −17.0 (4) | Mo1c—C3c—C4c—C5c | −65.6 (2) |
C9b—Mo2b—S1b—C13b | 53.7 (4) | C2c—C3c—C4c—Mo1c | 65.6 (2) |
C8b—Mo2b—S1b—C13b | 58.9 (3) | C11c—Mo1c—C4c—C5c | −155.3 (3) |
C10b—Mo2b—S1b—C13b | 118.6 (4) | C3c—Mo1c—C4c—C5c | 115.8 (1) |
C7b—Mo2b—S1b—C13b | 91.8 (3) | C2c—Mo1c—C4c—C5c | 77.9 (1) |
C6b—Mo2b—S1b—C13b | 121.7 (3) | C1c—Mo1c—C4c—C5c | 36.7 (1) |
S3b—Mo2b—S1b—C13b | −166.8 (3) | S3c—Mo1c—C4c—C5c | 9.7 (3) |
S2b—Mo2b—S1b—C13b | −107.4 (3) | S2c—Mo1c—C4c—C5c | −69.3 (2) |
C12b—Mo2b—S1b—Mo1b | 90.0 (2) | S1c—Mo1c—C4c—C5c | 130.8 (3) |
C9b—Mo2b—S1b—Mo1b | 160.7 (2) | C11c—Mo1c—C4c—C3c | 89.0 (3) |
C8b—Mo2b—S1b—Mo1b | 165.87 (14) | C2c—Mo1c—C4c—C3c | −37.9 (1) |
C10b—Mo2b—S1b—Mo1b | −134.4 (2) | C5c—Mo1c—C4c—C3c | −115.8 (1) |
C7b—Mo2b—S1b—Mo1b | −161.2 (2) | C1c—Mo1c—C4c—C3c | −79.1 (1) |
C6b—Mo2b—S1b—Mo1b | −131.3 (2) | S3c—Mo1c—C4c—C3c | −106.0 (3) |
S3b—Mo2b—S1b—Mo1b | −59.8 (1) | S2c—Mo1c—C4c—C3c | 175.0 (2) |
S2b—Mo2b—S1b—Mo1b | −0.4 (1) | S1c—Mo1c—C4c—C3c | 15.0 (3) |
C11b—Mo1b—S1b—C13b | 18.8 (4) | Mo1c—C4c—C5c—C1c | −63.8 (2) |
C3b—Mo1b—S1b—C13b | −63.1 (3) | C3c—C4c—C5c—Mo1c | 63.8 (2) |
C4b—Mo1b—S1b—C13b | −52.0 (4) | Mo1c—C1c—C5c—C4c | 61.9 (2) |
C2b—Mo1b—S1b—C13b | −98.0 (3) | C2c—C1c—C5c—Mo1c | −61.9 (2) |
C5b—Mo1b—S1b—C13b | −110.2 (4) | C11c—Mo1c—C5c—C4c | 25.6 (3) |
C1b—Mo1b—S1b—C13b | −124.7 (3) | C3c—Mo1c—C5c—C4c | −38.1 (1) |
S3b—Mo1b—S1b—C13b | 167.0 (3) | C2c—Mo1c—C5c—C4c | −80.1 (1) |
S2b—Mo1b—S1b—C13b | 107.4 (3) | C1c—Mo1c—C5c—C4c | −116.9 (1) |
C11b—Mo1b—S1b—Mo2b | −88.2 (2) | S3c—Mo1c—C5c—C4c | −173.2 (2) |
C3b—Mo1b—S1b—Mo2b | −170.2 (2) | S2c—Mo1c—C5c—C4c | 116.1 (2) |
C4b—Mo1b—S1b—Mo2b | −159.1 (2) | S1c—Mo1c—C5c—C4c | −103.4 (4) |
C2b—Mo1b—S1b—Mo2b | 154.9 (2) | C11c—Mo1c—C5c—C1c | 142.5 (3) |
C5b—Mo1b—S1b—Mo2b | 142.7 (3) | C3c—Mo1c—C5c—C1c | 78.8 (1) |
C1b—Mo1b—S1b—Mo2b | 128.2 (2) | C4c—Mo1c—C5c—C1c | 116.9 (1) |
S3b—Mo1b—S1b—Mo2b | 59.9 (1) | C2c—Mo1c—C5c—C1c | 36.8 (1) |
S2b—Mo1b—S1b—Mo2b | 0.37 (7) | S3c—Mo1c—C5c—C1c | −56.3 (2) |
C12b—Mo2b—S2b—C20b | 18.3 (4) | S2c—Mo1c—C5c—C1c | −127.0 (2) |
C9b—Mo2b—S2b—C20b | −59.7 (3) | S1c—Mo1c—C5c—C1c | 13.5 (4) |
C8b—Mo2b—S2b—C20b | −50.8 (4) | C12c—Mo2c—C6c—C10c | −52.5 (5) |
C10b—Mo2b—S2b—C20b | −94.1 (3) | C8c—Mo2c—C6c—C10c | −79.5 (1) |
C7b—Mo2b—S2b—C20b | −112.3 (4) | C9c—Mo2c—C6c—C10c | −37.3 (1) |
C6b—Mo2b—S2b—C20b | −122.1 (3) | C7c—Mo2c—C6c—C10c | −117.1 (1) |
S3b—Mo2b—S2b—C20b | 168.6 (3) | S3c—Mo2c—C6c—C10c | 124.9 (2) |
S1b—Mo2b—S2b—C20b | 108.7 (3) | S1c—Mo2c—C6c—C10c | 60.2 (2) |
C12b—Mo2b—S2b—Mo1b | −90.0 (2) | S2c—Mo2c—C6c—C10c | −171.8 (2) |
C9b—Mo2b—S2b—Mo1b | −168.0 (1) | C12c—Mo2c—C6c—C7c | 64.6 (5) |
C8b—Mo2b—S2b—Mo1b | −159.1 (2) | C8c—Mo2c—C6c—C7c | 37.7 (1) |
C10b—Mo2b—S2b—Mo1b | 157.6 (2) | C9c—Mo2c—C6c—C7c | 79.9 (1) |
C7b—Mo2b—S2b—Mo1b | 139.4 (3) | C10c—Mo2c—C6c—C7c | 117.1 (1) |
C6b—Mo2b—S2b—Mo1b | 129.6 (1) | S3c—Mo2c—C6c—C7c | −118.0 (2) |
S3b—Mo2b—S2b—Mo1b | 60.3 (1) | S1c—Mo2c—C6c—C7c | 177.4 (2) |
S1b—Mo2b—S2b—Mo1b | 0.38 (7) | S2c—Mo2c—C6c—C7c | −54.7 (2) |
C11b—Mo1b—S2b—C20b | −16.3 (3) | Mo2c—C6c—C7c—C8c | −62.8 (2) |
C3b—Mo1b—S2b—C20b | 57.0 (4) | C10c—C6c—C7c—Mo2c | 62.8 (2) |
C4b—Mo1b—S2b—C20b | 59.0 (3) | C12c—Mo2c—C7c—C8c | −19.5 (3) |
C2b—Mo1b—S2b—C20b | 124.2 (4) | C9c—Mo2c—C7c—C8c | 38.0 (1) |
C5b—Mo1b—S2b—C20b | 91.0 (3) | C10c—Mo2c—C7c—C8c | 79.6 (1) |
C1b—Mo1b—S2b—C20b | 122.4 (3) | C6c—Mo2c—C7c—C8c | 116.3 (1) |
S3b—Mo1b—S2b—C20b | −166.4 (3) | S3c—Mo2c—C7c—C8c | 178.1 (2) |
S1b—Mo1b—S2b—C20b | −106.2 (3) | S1c—Mo2c—C7c—C8c | 111.8 (3) |
C11b—Mo1b—S2b—Mo2b | 89.6 (2) | S2c—Mo2c—C7c—C8c | −111.1 (2) |
C3b—Mo1b—S2b—Mo2b | 162.8 (2) | C12c—Mo2c—C7c—C6c | −135.9 (3) |
C4b—Mo1b—S2b—Mo2b | 164.9 (2) | C8c—Mo2c—C7c—C6c | −116.3 (1) |
C2b—Mo1b—S2b—Mo2b | −130.0 (2) | C9c—Mo2c—C7c—C6c | −78.4 (1) |
C5b—Mo1b—S2b—Mo2b | −163.1 (2) | C10c—Mo2c—C7c—C6c | −36.7 (1) |
C1b—Mo1b—S2b—Mo2b | −131.8 (2) | S3c—Mo2c—C7c—C6c | 61.7 (2) |
S3b—Mo1b—S2b—Mo2b | −60.52 (6) | S1c—Mo2c—C7c—C6c | −4.5 (4) |
S1b—Mo1b—S2b—Mo2b | −0.38 (7) | S2c—Mo2c—C7c—C6c | 132.6 (2) |
C11b—Mo1b—S3b—Mo2b | 3.0 (4) | Mo2c—C7c—C8c—C9c | −64.7 (2) |
C3b—Mo1b—S3b—Mo2b | −150.2 (2) | C6c—C7c—C8c—Mo2c | 64.7 (2) |
C4b—Mo1b—S3b—Mo2b | 159.2 (2) | C12c—Mo2c—C8c—C9c | −82.5 (3) |
C2b—Mo1b—S3b—Mo2b | −151.2 (1) | C7c—Mo2c—C8c—C9c | 115.6 (1) |
C5b—Mo1b—S3b—Mo2b | 149.5 (1) | C10c—Mo2c—C8c—C9c | 37.4 (1) |
C1b—Mo1b—S3b—Mo2b | 176.7 (2) | C6c—Mo2c—C8c—C9c | 78.5 (1) |
S1b—Mo1b—S3b—Mo2b | −60.1 (1) | S3c—Mo2c—C8c—C9c | 112.9 (3) |
S2b—Mo1b—S3b—Mo2b | 60.5 (1) | S1c—Mo2c—C8c—C9c | −7.3 (3) |
C12b—Mo2b—S3b—Mo1b | −1.1 (4) | S2c—Mo2c—C8c—C9c | −170.0 (2) |
C9b—Mo2b—S3b—Mo1b | −152.6 (2) | C12c—Mo2c—C8c—C7c | 161.9 (3) |
C8b—Mo2b—S3b—Mo1b | 155.5 (2) | C9c—Mo2c—C8c—C7c | −115.6 (1) |
C10b—Mo2b—S3b—Mo1b | −151.2 (2) | C10c—Mo2c—C8c—C7c | −78.2 (1) |
C7b—Mo2b—S3b—Mo1b | 149.0 (2) | C6c—Mo2c—C8c—C7c | −37.1 (1) |
C6b—Mo2b—S3b—Mo1b | 177.6 (2) | S3c—Mo2c—C8c—C7c | −2.7 (3) |
S2b—Mo2b—S3b—Mo1b | −61.15 (6) | S1c—Mo2c—C8c—C7c | −122.9 (3) |
S1b—Mo2b—S3b—Mo1b | 60.34 (6) | S2c—Mo2c—C8c—C7c | 74.4 (2) |
C11b—Mo1b—C1b—C5b | 45.5 (5) | Mo2c—C8c—C9c—C10c | −65.3 (2) |
C3b—Mo1b—C1b—C5b | 79.2 (1) | C7c—C8c—C9c—Mo2c | 65.3 (2) |
C4b—Mo1b—C1b—C5b | 37.1 (1) | C12c—Mo2c—C9c—C8c | 89.9 (3) |
C2b—Mo1b—C1b—C5b | 117.0 (1) | C7c—Mo2c—C9c—C8c | −37.79 (8) |
S3b—Mo1b—C1b—C5b | −129.2 (3) | C10c—Mo2c—C9c—C8c | −115.9 (1) |
S1b—Mo1b—C1b—C5b | 167.8 (2) | C6c—Mo2c—C9c—C8c | −79.1 (1) |
S2b—Mo1b—C1b—C5b | −64.7 (2) | S3c—Mo2c—C9c—C8c | −105.2 (3) |
C11b—Mo1b—C1b—C2b | −71.5 (5) | S1c—Mo2c—C9c—C8c | 175.4 (2) |
C3b—Mo1b—C1b—C2b | −37.8 (1) | S2c—Mo2c—C9c—C8c | 15.2 (3) |
C4b—Mo1b—C1b—C2b | −79.9 (1) | C12c—Mo2c—C9c—C10c | −154.2 (3) |
C5b—Mo1b—C1b—C2b | −117.0 (1) | C8c—Mo2c—C9c—C10c | 115.9 (1) |
S3b—Mo1b—C1b—C2b | 113.8 (3) | C7c—Mo2c—C9c—C10c | 78.1 (1) |
S1b—Mo1b—C1b—C2b | 50.8 (2) | C6c—Mo2c—C9c—C10c | 36.8 (1) |
S2b—Mo1b—C1b—C2b | 178.3 (2) | S3c—Mo2c—C9c—C10c | 10.7 (3) |
Mo1b—C1b—C2b—C3b | 63.2 (2) | S1c—Mo2c—C9c—C10c | −68.7 (2) |
C5b—C1b—C2b—Mo1b | −63.2 (2) | S2c—Mo2c—C9c—C10c | 131.1 (3) |
C11b—Mo1b—C2b—C1b | 131.6 (4) | Mo2c—C6c—C10c—C9c | 62.2 (2) |
C3b—Mo1b—C2b—C1b | 116.1 (1) | C7c—C6c—C10c—Mo2c | −62.2 (2) |
C4b—Mo1b—C2b—C1b | 78.2 (1) | Mo2c—C9c—C10c—C6c | −63.7 (2) |
C5b—Mo1b—C2b—C1b | 36.7 (1) | C8c—C9c—C10c—Mo2c | 63.7 (2) |
S3b—Mo1b—C2b—C1b | −65.1 (2) | C12c—Mo2c—C10c—C6c | 143.6 (3) |
S1b—Mo1b—C2b—C1b | −136.4 (2) | C8c—Mo2c—C10c—C6c | 78.9 (1) |
S2b—Mo1b—C2b—C1b | −2.8 (4) | C9c—Mo2c—C10c—C6c | 116.8 (1) |
C11b—Mo1b—C2b—C3b | 15.5 (4) | C7c—Mo2c—C10c—C6c | 36.89 (8) |
C4b—Mo1b—C2b—C3b | −37.92 (8) | S3c—Mo2c—C10c—C6c | −55.7 (2) |
C5b—Mo1b—C2b—C3b | −79.4 (1) | S1c—Mo2c—C10c—C6c | −126.2 (2) |
C1b—Mo1b—C2b—C3b | −116.1 (1) | S2c—Mo2c—C10c—C6c | 15.0 (4) |
S3b—Mo1b—C2b—C3b | 178.8 (2) | C12c—Mo2c—C10c—C9c | 26.7 (3) |
S1b—Mo1b—C2b—C3b | 107.5 (2) | C8c—Mo2c—C10c—C9c | −37.9 (1) |
S2b—Mo1b—C2b—C3b | −118.9 (4) | C7c—Mo2c—C10c—C9c | −79.9 (1) |
Mo1b—C2b—C3b—C4b | 65.1 (2) | C6c—Mo2c—C10c—C9c | −116.8 (1) |
C1b—C2b—C3b—Mo1b | −65.1 (2) | S3c—Mo2c—C10c—C9c | −172.5 (2) |
C11b—Mo1b—C3b—C4b | 78.4 (3) | S1c—Mo2c—C10c—C9c | 117.0 (2) |
C2b—Mo1b—C3b—C4b | −115.6 (1) | S2c—Mo2c—C10c—C9c | −101.9 (4) |
C5b—Mo1b—C3b—C4b | −37.3 (1) | Mo2c—S1c—C13c—C14c | 71.6 (6) |
C1b—Mo1b—C3b—C4b | −78.4 (1) | Mo1c—S1c—C13c—C14c | 147.7 (4) |
S3b—Mo1b—C3b—C4b | −117.2 (3) | S1c—C13c—C14c—C15c | 61.1 (7) |
S1b—Mo1b—C3b—C4b | 167.1 (2) | S1c—C13c—C14c—C19c | −118.2 (5) |
S2b—Mo1b—C3b—C4b | 3.3 (4) | C13c—C14c—C15c—C16c | −179.3 (6) |
C11b—Mo1b—C3b—C2b | −166.0 (3) | C13c—C14c—C19c—C18c | 179.3 (6) |
C4b—Mo1b—C3b—C2b | 115.6 (1) | Mo1c—S2c—C20c—C21c | 68.9 (6) |
C5b—Mo1b—C3b—C2b | 78.3 (1) | Mo2c—S2c—C20c—C21c | 144.8 (5) |
C1b—Mo1b—C3b—C2b | 37.2 (1) | S2c—C20c—C21c—C22c | 54.9 (7) |
S3b—Mo1b—C3b—C2b | −1.6 (3) | S2c—C20c—C21c—C26c | −125.9 (5) |
S1b—Mo1b—C3b—C2b | −77.3 (2) | C20c—C21c—C22c—C23c | 179.2 (6) |
S2b—Mo1b—C3b—C2b | 118.8 (4) | C20c—C21c—C26c—C25c | −179.2 (6) |
Mo1b—C3b—C4b—C5b | 65.2 (2) |
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