Information card for entry 7236584

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: 12.678 ± 0.005 Å
• b: 14.408 ± 0.005 Å
• c: 20.225 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3694 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1681
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.2639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No