Information card for entry 4316400

Structure parameters

• Formula: C40 H21 Br8 Cu N4 O2
• Calculated formula: C43.5 H21 Br8 Cu N4 O2
• Title of publication: Nonplanar, Noninnocent, and Chiral: A Strongly Saddled Metallocorrole
• Authors of publication: Abraham B. Alemayehu; Lars Kristian Hansen; Abhik Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7608 - 7610
• a: 9.406 ± 0.002 Å
• b: 12.929 ± 0.003 Å
• c: 18.405 ± 0.004 Å
• α: 91.566 ± 0.005°
• β: 95.014 ± 0.005°
• γ: 104.131 ± 0.007°
• Cell volume: 2159.5 ± 0.8 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No