Information card for entry 1520752

Structure parameters

• Formula: C20 H12 Cu2 N2 O10
• Calculated formula: C20 H12 Cu2 N2 O10
• Title of publication: Porous metal‒organic frameworks with Lewis basic nitrogen sites for high-capacity methane storage
• Authors of publication: Li, Bin; Wen, Hui-Min; Wang, Hailong; Wu, Hui; Yildirim, Taner; Zhou, Wei; Chen, Banglin
• Journal of publication: Energy Environ. Sci.
• Year of publication: 2015
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 2504
• a: 18.7387 ± 0.0003 Å
• b: 18.7387 ± 0.0003 Å
• c: 37.4863 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11399.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0518
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No