Information card for entry 4343268

Structure parameters

• Formula: C17 H33 Mo N O P2
• Calculated formula: C17 H33 Mo N O P2
• SMILES: [MoH]12345([P](CC)(CC)CN(C[P]1(CC)CC)C)([cH]1[cH]5[cH]4[cH]3[cH]21)C#[O]
• 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: 15.1475 ± 0.0003 Å
• b: 15.3384 ± 0.0004 Å
• c: 16.9653 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3941.69 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No