Information card for entry 4117297

Structure parameters

• Formula: C104 H64 Cd2 Cl4 Cu5 N8 O26.5
• Calculated formula: C104 H64 Cd2 Cl4 Cu5 N8 O26.5
• Title of publication: Templated Synthesis, Postsynthetic Metal Exchange, and Properties of a Porphyrin-Encapsulating Metal-Organic Material
• Authors of publication: Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Patrick Nugent; Mohamed Eddaoudi; Michael J. Zaworotko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 924 - 927
• a: 29.2846 ± 0.0009 Å
• b: 29.2846 ± 0.0009 Å
• c: 9.9941 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8570.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No