Information card for entry 4305404

Structure parameters

• Formula: C22 H25.52 Cu2 N2 O8.76
• Calculated formula: C22 H24 Cu2 N2 O8.767
• 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: 20.9211 ± 0.0003 Å
• b: 13.7081 ± 0.0003 Å
• c: 9.1075 ± 0.0002 Å
• α: 90°
• β: 103.665 ± 0.002°
• γ: 90°
• Cell volume: 2537.99 ± 0.09 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.048
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No