Information card for entry 2228639

Structure parameters

• Chemical name: Dicarbonylchlorido(phenoxythiocarbonyl- κ^2^<i>C</i>,<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)molybdenum(II)
• Formula: C45 H35 Cl Mo O3 P2 S
• Calculated formula: C45 H35 Cl Mo O3 P2 S
• SMILES: [Mo]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([S]=C1Oc1ccccc1)(C#[O])C#[O]
• Title of publication: Dicarbonylchlorido(phenoxythiocarbonyl-κ^2^<i>C</i>,<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)molybdenum(II)
• Authors of publication: Lee, Gene-Hsiang; Wang, Hsiao-Fen; Yih, Kuang-Hway; Huang, Shou-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m117 - m118
• a: 10.5685 ± 0.001 Å
• b: 12.5224 ± 0.0011 Å
• c: 16.3983 ± 0.0014 Å
• α: 82.088 ± 0.002°
• β: 77.476 ± 0.002°
• γ: 67.212 ± 0.002°
• Cell volume: 1949.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes