Information card for entry 4117267

Structure parameters

• Formula: C72 H24 Ni10.71 O81
• Calculated formula: C72 H24 Ni10.78 O81.36
• Title of publication: Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins
• Authors of publication: Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 928 - 933
• a: 27.478 ± 0.002 Å
• b: 27.478 ± 0.002 Å
• c: 27.478 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20747 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.1329
• Residual factor for significantly intense reflections: 0.1075
• Weighted residual factors for significantly intense reflections: 0.2816
• Weighted residual factors for all reflections included in the refinement: 0.2972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No