Information card for entry 4081694

Structure parameters

• Formula: C51 H54 N2 O Si W
• Calculated formula: C51 H54 N2 O Si W
• SMILES: [W]1(CCC1)(=Nc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(n1c(ccc1C)C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Methylidene Complexes that Contain a 2,6-Dimesitylphenylimido Ligand and Ethenolysis of 2,3-Dicarbomethoxynorbornadiene
• Authors of publication: Gerber, Laura C. H.; Schrock, Richard R.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5573
• a: 19.6235 ± 0.0016 Å
• b: 22.9245 ± 0.0019 Å
• c: 19.7261 ± 0.0017 Å
• α: 90°
• β: 91.756 ± 0.002°
• γ: 90°
• Cell volume: 8869.8 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0421
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No