Information card for entry 7220594

Structure parameters

• Formula: C17 H11 Cu N3 O5
• Calculated formula: C17 H11 Cu N3 O5
• Title of publication: A (3,6)-connected metal‒organic framework with high CH4binding affinity and uptake capacity
• Authors of publication: Liu, Huiyan; Wang, Qian; Zhang, Mingxing; Jiang, Jingjing
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 26
• Pages of publication: 4793
• a: 16.269 ± 0.002 Å
• b: 20.73 ± 0.003 Å
• c: 14.9828 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5053 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No