Information card for entry 2227161

Structure parameters

• Chemical name: Bis(carbonyl-κ<i>C</i>)(<i>N</i>,<i>N</i>-dimethylthiocarbamoyl- κ^2^<i>C</i>,<i>S</i>)(pyridine-2-thiolato- κ^2^<i>N</i>,<i>S</i>)(triphenylphosphine-κ<i>P</i>)molybdenum(II)
• Formula: C28 H25 Mo N2 O2 P S2
• Calculated formula: C28 H25 Mo N2 O2 P S2
• SMILES: [Mo]12([S]=C2N(C)C)(Sc2[n]1cccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Bis(carbonyl-κ<i>C</i>)(<i>N</i>,<i>N</i>-dimethylthiocarbamoyl-κ^2^<i>C</i>,<i>S</i>)(pyridine-2-thiolato-κ^2^<i>N</i>,<i>S</i>)(triphenylphosphine-κ<i>P</i>)molybdenum(II)
• Authors of publication: Yih, Kuang-Hway; Wang, Hsiao-Fen; Lee, Gene-Hsiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1189 - m1190
• a: 20.0947 ± 0.0008 Å
• b: 15.872 ± 0.0006 Å
• c: 17.8596 ± 0.0007 Å
• α: 90°
• β: 107.563 ± 0.001°
• γ: 90°
• Cell volume: 5430.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes