Information card for entry 4107127

Structure parameters

• Formula: C32 H44 Cl Mo N3
• Calculated formula: C32 H44 Cl Mo N3
• SMILES: [Mo](Cl)(=Nc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(NC(C)(C)C)=NC(C)(C)C
• Title of publication: Synthesis of Molybdenum Alkylidene Complexes That Contain the 2,6-Dimesitylphenylimido Ligand
• Authors of publication: Laura C. H. Gerber; Richard R. Schrock; Peter Müller; Michael K. Takase
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 18142 - 18144
• a: 22.2063 ± 0.0011 Å
• b: 8.6597 ± 0.0005 Å
• c: 17.7277 ± 0.0009 Å
• α: 90°
• β: 112.912 ± 0.001°
• γ: 90°
• Cell volume: 3140.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0175
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No