Information card for entry 7112055

Structure parameters

• Formula: C84 H54 Cu6 O33
• Calculated formula: C84 Cu6 O33
• Title of publication: Coexistence of cages and one-dimensional channels in a porous MOF with high H2 and CH4 uptakes
• Authors of publication: Jiandong Pang; Feilong Jiang; Mingyan Wu; Daqiang Yuan; Kang Zhou; Jinjie Qian; Kongzhao Sua; Maochun Hong
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2834
• a: 30.2922 ± 0.0013 Å
• b: 30.2922 ± 0.0013 Å
• c: 29.597 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27159 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for all reflections: 0.2416
• Residual factor for significantly intense reflections: 0.1514
• Weighted residual factors for significantly intense reflections: 0.3906
• Weighted residual factors for all reflections included in the refinement: 0.4281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No