Information card for entry 4333663

Structure parameters

• Common name: PCN-922
• Formula: C58 H28 Cu4 O20
• Calculated formula: C58 H28 Cu4 O20
• Title of publication: A Route to Metal-Organic Frameworks through Framework Templating
• Authors of publication: Zhangwen Wei; Weigang Lu; Hai-Long Jiang; Hong-Cai Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1164 - 1166
• a: 18.583 ± 0.016 Å
• b: 18.583 ± 0.016 Å
• c: 35.68 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12321 ± 18 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.2133
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.2621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No