Information card for entry 4301148

Structure parameters

• Common name: UMCM-3
• Formula: C44 H25 N O13 Zn4
• Calculated formula: C42 O13 Zn4
• Title of publication: Accessing Postsynthetic Modification in a Series of Metal-Organic Frameworks and the Influence of Framework Topology on Reactivity
• Authors of publication: Zhenqiang Wang; Kristine K. Tanabe; Seth M. Cohen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 296 - 306
• a: 41.2555 ± 0.0008 Å
• b: 41.2555 ± 0.0008 Å
• c: 17.5091 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 25808.2 ± 1.5 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: 0.0677
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No