Information card for entry 4112691

Structure parameters

• Formula: C52 H62 Cl3 N4 Ru2
• Calculated formula: C52 H62 Cl3 N4 Ru2
• Title of publication: Decomposition of a Key Intermediate in Ruthenium-Catalyzed Olefin Metathesis Reactions
• Authors of publication: Soon Hyeok Hong; Michael W. Day; Robert H. Grubbs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 7414 - 7415
• a: 12.4536 ± 0.0009 Å
• b: 16.1001 ± 0.0011 Å
• c: 24.7739 ± 0.0017 Å
• α: 90°
• β: 102.798 ± 0.001°
• γ: 90°
• Cell volume: 4843.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.396
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No