Information card for entry 4316621

Structure parameters

• Formula: C34 H51 Mo N2 O3 P
• Calculated formula: C34 H51 Mo N2 O3 P
• Title of publication: Chemistry of the Oxophosphinidene Ligand. 1. Electronic Structure of the Anionic Complexes [MCp{P(O)R*}(CO)2]- (M = Mo, W; R* = 2,4,6-C6H2tBu3) and Their Reactions with H+ and C-Based Electrophiles.
• Authors of publication: María Alonso; M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Miguel A. Ruiz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8962 - 8976
• 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