Information card for entry 4343273

Structure parameters

• Formula: C33 H32 Mo O P2
• Calculated formula: C33 H32 Mo O P2
• SMILES: [MoH]12345([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Molybdenum Hydride and Dihydride Complexes Bearing Diphosphine Ligands with a Pendant Amine: Formation of Complexes with Bound Amines.
• Authors of publication: Zhang, Shaoguang; Bullock, R. Morris
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6397 - 6409
• a: 14.6276 ± 0.0005 Å
• b: 10.7073 ± 0.0003 Å
• c: 18.4288 ± 0.0006 Å
• α: 90°
• β: 108.534 ± 0.002°
• γ: 90°
• Cell volume: 2736.66 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0487
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No