Information card for entry 4117268

Structure parameters

• Formula: C108 H36 O91 Zn18.66
• Calculated formula: C108 H36 O91 Zn18.67
• 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: 19.653 ± 0.003 Å
• b: 44.127 ± 0.006 Å
• c: 14.543 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12612 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 65
• Hermann-Mauguin space group symbol: C m m m
• Hall space group symbol: -C 2 2
• Residual factor for all reflections: 0.1357
• Residual factor for significantly intense reflections: 0.1241
• Weighted residual factors for significantly intense reflections: 0.3302
• Weighted residual factors for all reflections included in the refinement: 0.3413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.40663 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No