Information card for entry 7105824

Structure parameters

• Formula: C108 H76 Co2 N12
• Calculated formula: C108 H76 Co2 N12
• Title of publication: Cobalt carbaporphyrin-catalyzed cyclopropanation
• Authors of publication: Kimberly Fields; James Engle; Saovalak Sripothongnak; Chungsik Kim; X. Peter Zhang; Christopher Ziegler
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 749
• a: 21.6684 ± 0.0015 Å
• b: 17.1353 ± 0.0012 Å
• c: 22.1912 ± 0.0015 Å
• α: 90°
• β: 98.668 ± 0.001°
• γ: 90°
• Cell volume: 8145.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.079
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No