Information card for entry 4117139

Structure parameters

• Formula: C41 H47 Cl F6 Mo O2 P3
• Calculated formula: C41 H47 Cl F6 Mo O2 P3
• Title of publication: Stable Mononuclear, 17-Electron Molybdenum(III) Carbonyl Complexes. Synthesis, Structure, Thermal Decomposition, and Cl-Addition Reactions
• Authors of publication: James C. Fettinger; D. Webster Keogh; Rinaldo Poli
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 3617 - 3625
• a: 13.7394 ± 0.0014 Å
• b: 20.421 ± 0.002 Å
• c: 14.8567 ± 0.0015 Å
• α: 90°
• β: 99.119 ± 0.008°
• γ: 90°
• Cell volume: 4115.7 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0648
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections: 0.1211
• Weighted residual factors for significantly intense reflections: 0.1077
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No