Information card for entry 4120116

Structure parameters

• Formula: C38 H44 Cl2 N2 O Ru S2
• Calculated formula: C38 H44 Cl2 N2 O Ru S2
• 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: 12.303 ± 0.0008 Å
• b: 16.4866 ± 0.0011 Å
• c: 17.9428 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3639.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No