Information card for entry 4310266

Structure parameters

• Common name: (Benzoate)MoP4H
• Formula: C19 H42 Mo O2 P4
• Calculated formula: C19 H42 Mo O2 P4
• SMILES: [MoH]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[O]=C(O1)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: 9.6337 ± 0.0012 Å
• b: 17.965 ± 0.003 Å
• c: 15.617 ± 0.002 Å
• α: 90°
• β: 90 ± 0.002°
• γ: 90°
• Cell volume: 2702.8 ± 0.7 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No