Information card for entry 7115759

Structure parameters

• Chemical name: Mo(CO)4(PH2C(O)NH2)2
• Formula: C6 H8 Mo N2 O6 P2
• Calculated formula: C6 H8 Mo N2 O6 P2
• SMILES: [Mo]([PH2]C(=O)N)([PH2]C(=O)N)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: On the coordination chemistry of phosphinecarboxamide: assessing ligand basicity
• Authors of publication: M. B. Geeson; A. R. Jupp; J. E. McGrady; J. M. Goicoechea
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12281
• a: 7.1284 ± 0.0002 Å
• b: 9.7853 ± 0.0002 Å
• c: 18.2084 ± 0.0005 Å
• α: 90°
• β: 94.13 ± 0.002°
• γ: 90°
• Cell volume: 1266.8 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0193
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No