Information card for entry 7230851

Structure parameters

• Chemical name: tetracarbonyl-bis(triphenylphosphine)-molybdenum
• Formula: C40 H30 Mo O4 P2
• Calculated formula: C40 H30 Mo O4 P2
• Title of publication: Conformational chiral polymorphism in cis-bis-triphenylphosphine complexes of transition metals
• Authors of publication: Tshabang, Never; Makgatle, Gaone P.; Bourne, Susan A.; Kann, Nina; Evans, Jack D.; Coudert, François-Xavier; Öhrström, Lars
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 35
• Pages of publication: 5137
• a: 9.4289 ± 0.0007 Å
• b: 38.395 ± 0.003 Å
• c: 9.9447 ± 0.0007 Å
• α: 90°
• β: 107.876 ± 0.001°
• γ: 90°
• Cell volume: 3426.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0627
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No