Information card for entry 4310263

Structure parameters

• Common name: HMoP4(benzoate)
• Formula: C19 H42 Mo O2 P4
• Calculated formula: C19 H42 Mo O2 P4
• SMILES: O1C(=[O][MoH]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C)c1ccccc1
• Title of publication: Synthesis and Structural Characterization of M(PMe3)3(O2CR)2(OH2)H2 (M = Mo, W): Aqua-Hydride Complexes of Molybdenum and Tungsten
• Authors of publication: Guang Zhu; Gerard Parkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9637 - 9639
• a: 15.437 ± 0.002 Å
• b: 12.0378 ± 0.0018 Å
• c: 14.834 ± 0.002 Å
• α: 90°
• β: 103.043 ± 0.003°
• γ: 90°
• Cell volume: 2685.4 ± 0.6 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No