Information card for entry 7105823

Structure parameters

• Formula: C55 H40 Co N6
• Calculated formula: C55 H40 Co N6
• 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: 11.6749 ± 0.0013 Å
• b: 13.2874 ± 0.0015 Å
• c: 14.1474 ± 0.0016 Å
• α: 97.019 ± 0.002°
• β: 93.666 ± 0.002°
• γ: 107.317 ± 0.002°
• Cell volume: 2067.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No