Information card for entry 4104857

Structure parameters

• Formula: C47 H64 Br2 Mo N2 O2 Si
• Calculated formula: C47 H64 Br2 Mo N2 O2 Si
• Title of publication: Ethenolysis Reactions Catalyzed by Imido Alkylidene Monoaryloxide Monopyrrolide (MAP) Complexes of Molybdenum
• Authors of publication: Smaranda C. Marinescu; Richard R. Schrock; Peter Müller; Amir H. Hoveyda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10840 - 10841
• a: 10.2743 ± 0.0002 Å
• b: 33.9203 ± 0.0007 Å
• c: 13.2436 ± 0.0003 Å
• α: 90°
• β: 96.521 ± 0.002°
• γ: 90°
• Cell volume: 4585.63 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No