Information card for entry 4316572

Structure parameters

• Formula: C52 H73 N4 O26.5 Zn5
• Calculated formula: C36 H26 O17 Zn5
• Title of publication: Novel Functionalized Metal-Organic Framework Based on Unique Hexagonal Prismatic Clusters
• Authors of publication: Qi Yue; Li Yan; Jian-Yong Zhang; En-Qing Gao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8647 - 8649
• a: 26.055 ± 0.004 Å
• b: 26.055 ± 0.004 Å
• c: 35.842 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21072 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 193
• Hermann-Mauguin space group symbol: P 63/m c m
• Hall space group symbol: -P 6c 2
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2299
• Weighted residual factors for all reflections included in the refinement: 0.2465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No