Information card for entry 4115492

Structure parameters

• Formula: C99 H90 Cl4 N4 Ru
• Calculated formula: C99 H90 Cl4 N4 Ru
• SMILES: [Ru]123([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1c4[C@H]5CC[C@@H](c4cc4[C@@H]7CC[C@H](c14)C7)C5)cc2)c1c2[C@H]4CC[C@@H](c2cc2[C@@H]5CC[C@H](c12)C5)C4)cc3)c1c2[C@H]3CC[C@@H](c2cc2[C@@H]4CC[C@H](c12)C4)C3)cc6)c1c2[C@H]3CC[C@@H](c2cc2[C@@H]4CC[C@H](c12)C4)C3)=C(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• 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: 14.687 ± 0.0003 Å
• b: 20.6491 ± 0.0003 Å
• c: 27.5075 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8342.3 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.1421
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections: 0.2101
• Weighted residual factors for significantly intense reflections: 0.1756
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No