Information card for entry 4115493

Structure parameters

• Formula: C98 H92 Cl6 N4 O2 Ru
• Calculated formula: C98 H81 Cl7 N4 O2 Ru
• Title of publication: Asymmetric Inter- and Intramolecular Cyclopropanation of Alkenes Catalyzed by Chiral Ruthenium Porphyrins. Synthesis and Crystal Structure of a Chiral Metalloporphyrin Carbene Complex
• Authors of publication: Chi-Ming Che; Jie-Sheng Huang; Fu-Wa Lee; Yan Li; Tat-Shing Lai; Hoi-Lun Kwong; Pang-Fei Teng; Wing-Sze Lee; Wai-Cheung Lo; Shie-Ming Peng; Zhong-Yuan Zhou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 4119 - 4129
• a: 14.2648 ± 0.0011 Å
• b: 18.1252 ± 0.0014 Å
• c: 16.7048 ± 0.0013 Å
• α: 90°
• β: 98.612 ± 0.002°
• γ: 90°
• Cell volume: 4270.4 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No