Information card for entry 4110070

Structure parameters

• Formula: C40 H54 Mo N2 O
• Calculated formula: C40 H54 Mo N2 O
• Title of publication: Synthesis of Monoalkoxide Monopyrrolyl Complexes Mo(NR)(CHR')(OR'')(pyrrolyl): Enyne Metathesis with High Oxidation State Catalysts
• Authors of publication: Rojendra Singh; Richard R. Schrock; Peter Müller; Amir H. Hoveyda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12654 - 12655
• a: 11.762 ± 0.003 Å
• b: 22.614 ± 0.005 Å
• c: 13.619 ± 0.003 Å
• α: 90°
• β: 95.454 ± 0.004°
• γ: 90°
• Cell volume: 3606.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No