Information card for entry 4120115

Structure parameters

• Formula: C41 H47 Cl2 N2 O3 Ru
• Calculated formula: C41 H47 Cl2 N2 O3 Ru
• Title of publication: Readily Accessible and Easily Modifiable Ru-Based Catalysts for Efficient and Z-Selective Ring-Opening Metathesis Polymerization and Ring-Opening/Cross-Metathesis
• Authors of publication: R. Kashif M. Khan; Sebastian Torker; Amir H. Hoveyda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 10258 - 10261
• a: 8.6694 ± 0.0003 Å
• b: 21.5135 ± 0.0007 Å
• c: 20.3017 ± 0.0007 Å
• α: 90°
• β: 101.402 ± 0.001°
• γ: 90°
• Cell volume: 3711.7 ± 0.2 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: 0.0277
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No