Information card for entry 4334093

Structure parameters

• Formula: C13 H7 Cu O5
• Calculated formula: C13 H7 Cu O5
• Title of publication: Expanded Porous MOF-505 Analogue Exhibiting Large Hydrogen Storage Capacity and Selective Carbon Dioxide Adsorption
• Authors of publication: Baishu Zheng; Ruirui Yun; Junfeng Bai; Zhiyong Lu; Liting Du; Yizhi Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2823 - 2829
• a: 18.8306 ± 0.0006 Å
• b: 18.8306 ± 0.0006 Å
• c: 53.788 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16517.5 ± 1.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No