Information card for entry 4305402

Structure parameters

• Formula: C22 H24 Cu2 N2 O8
• Calculated formula: C22 H24 Cu2 N2 O8
• Title of publication: Metal-Organic Framework with Rationally Tuned Micropores for Selective Adsorption of Water over Methanol
• Authors of publication: Banglin Chen; Yanyan Ji; Ming Xue; Frank R. Fronczek; Eric J. Hurtado; Jalal U. Mondal; Chengdu Liang; Sheng Dai
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5543 - 5545
• a: 21.0446 ± 0.0018 Å
• b: 13.7315 ± 0.0015 Å
• c: 9.1291 ± 0.001 Å
• α: 90°
• β: 104.15 ± 0.004°
• γ: 90°
• Cell volume: 2558 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No