Information card for entry 4343269

Structure parameters

• Formula: C33 H33 Mo N O P2
• Calculated formula: C33 H33 Mo N O P2
• SMILES: [MoH]12345([P](c6ccccc6)(CN(C)C[P]1(c1ccccc1)c1ccccc1)c1ccccc1)([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: 9.5859 ± 0.0013 Å
• b: 12.2921 ± 0.0018 Å
• c: 13.7379 ± 0.0019 Å
• α: 67.165 ± 0.006°
• β: 80.541 ± 0.006°
• γ: 70.222 ± 0.006°
• Cell volume: 1402.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No