Information card for entry 4326738

Structure parameters

• Common name: UMCM-1-AMPent-T1
• Formula: C46 H0 N O13 Zn4
• Calculated formula: C46 N O13 Zn4
• Title of publication: Tandem Postsynthetic Modification of Metal-Organic Frameworks Using an Inverse-Electron-Demand Diels-Alder Reaction
• Authors of publication: Chao Chen; Corinne A. Allen; Seth M. Cohen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10534 - 10536
• a: 40.9234 ± 0.0003 Å
• b: 40.9234 ± 0.0003 Å
• c: 17.3329 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 25138.8 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No