Information card for entry 4101689

Structure parameters

• Formula: C60.25 H87.25 Br2 Mo N2 O2 P1.25 Si
• Calculated formula: C60.25 H87.25 Br2 Mo N2 O2 P1.25 Si
• Title of publication: Inversion of configuration at the metal in diastereomeric imido alkylidene monoaryloxide monopyrrolide complexes of molybdenum.
• Authors of publication: Marinescu, Smaranda C.; Schrock, Richard R.; Li, Bo; Hoveyda, Amir H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Journal issue: 1
• Pages of publication: 58 - 59
• a: 10.8412 ± 0.0015 Å
• b: 18.736 ± 0.003 Å
• c: 29.809 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6054.8 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No