Information card for entry 4343030

Structure parameters

• Formula: C36 H25 Cu3 N13 O14
• Calculated formula: C36 H25 Cu3 N13 O14
• Title of publication: Microporous Metal-Organic Framework Based on a Bifunctional Linker for Selective Sorption of CO2 over N2 and CH4.
• Authors of publication: Chen, Di-Ming; Zhang, Xiao-Ping; Shi, Wei; Cheng, Peng
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5512 - 5518
• a: 25.4902 ± 0.0004 Å
• b: 14.7273 ± 0.0002 Å
• c: 27.1139 ± 0.0005 Å
• α: 90°
• β: 94.6592 ± 0.0017°
• γ: 90°
• Cell volume: 10145 ± 0.3 ų
• Cell temperature: 133 ± 3 K
• Ambient diffraction temperature: 133 ± 3 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No