Information card for entry 4316625

Structure parameters

• Formula: C31.5 H43 Mo O3 P
• Calculated formula: C31.5 H39 Mo 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: 9.2708 ± 0.0003 Å
• b: 12.0224 ± 0.0004 Å
• c: 14.3208 ± 0.0005 Å
• α: 84.894 ± 0.001°
• β: 77.062 ± 0.001°
• γ: 75.535 ± 0.001°
• Cell volume: 1505.4 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No