Information card for entry 4130622

Structure parameters

• Common name: ¡®MOF-950¡¯
• Chemical name: ¡®MOF-950¡¯
• Formula: C30 H18 N0 O13 Zn4
• Calculated formula: C30 H18 O13 Zn4
• Title of publication: High Methane Storage Working Capacity in Metal-Organic Frameworks with Acrylate Links.
• Authors of publication: Jiang, Juncong; Furukawa, Hiroyasu; Zhang, Yue-Biao; Yaghi, Omar M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 32
• Pages of publication: 10244 - 10251
• a: 21.2832 ± 0.0004 Å
• b: 21.2832 ± 0.0004 Å
• c: 21.2832 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9640.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2271
• Weighted residual factors for all reflections included in the refinement: 0.2495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No