Information card for entry 1518545

Structure parameters

• Formula: C14 H34 Cl Mo P3
• Calculated formula: C14 H34 Cl Mo P3
• SMILES: [MoH2]1234([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[cH]5[cH]4[cH]3[cH]2[cH]15.[Cl-]
• Title of publication: Dehydrogenation, disproportionation and transfer hydrogenation reactions of formic acid catalyzed by molybdenum hydride compounds
• Authors of publication: Neary, Michelle C.; Parkin, Gerard
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 1859
• a: 11.8282 ± 0.0014 Å
• b: 12.449 ± 0.0015 Å
• c: 13.6005 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2002.7 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No