Information card for entry 4071531

Structure parameters

• Formula: C48 H57 Mo N3
• Calculated formula: C48 H57 Mo N3
• SMILES: [Mo](=CC(C)(C)c1ccccc1)(=Nc1c(C(C)C)cccc1C(C)C)(n1cccc1c1c(C)cc(C)cc1C)n1cccc1c1c(C)cc(C)cc1C
• Title of publication: Cationic Molybdenum Imido Alkylidene Complexes
• Authors of publication: Jiang, Annie J.; Schrock, Richard R.; Müller, Peter
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 17
• Pages of publication: 4428
• a: 11.379 ± 0.0006 Å
• b: 19.8001 ± 0.001 Å
• c: 18.8237 ± 0.001 Å
• α: 90°
• β: 99 ± 0.001°
• γ: 90°
• Cell volume: 4188.9 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• 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: 0.0435
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No