Information card for entry 4113077

Structure parameters

• Formula: C34 H51 Mo N2 O3 P
• Calculated formula: C34 H51 Mo N2 O3 P
• Title of publication: Chemistry of the Phosphinidene Oxide Ligand
• Authors of publication: María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 13610 - 13611
• a: 9.5709 ± 0.0015 Å
• b: 17.391 ± 0.003 Å
• c: 20.501 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3412.3 ± 0.9 ų
• Cell temperature: 173.5 K
• Ambient diffraction temperature: 173.5 K
• Number of distinct elements: 6
• 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: 0.0904
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No