Information card for entry 7236581

Structure parameters

• Formula: C12 H8 Cu N2 O4
• Calculated formula: C12 H8 Cu N2 O4
• Title of publication: Fine-tuning optimal porous coordination polymers using functional alkyl groups for CH4 purification
• Authors of publication: Cheng, Fujun; Li, Qianqian; Duan, Jingui; Hosono, Nobuhiko; Noro, Shin-ichiro; Krishna, Rajamani; Lyu, Hongliang; Kusaka, Shinpei; Jin, Wanqin; Kitagawa, Susumu
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 34
• Pages of publication: 17874
• a: 10.915 ± 0.01 Å
• b: 11.321 ± 0.01 Å
• c: 14.814 ± 0.012 Å
• α: 90°
• β: 109.602 ± 0.013°
• γ: 90°
• Cell volume: 1724 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2912
• Weighted residual factors for all reflections included in the refinement: 0.3139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No