Information card for entry 1548273

Structure parameters

• Formula: C9 H5 Cu N5 O4
• Calculated formula: C9 H5 Cu N5 O4
• Title of publication: Microporous metal-organic framework with dual functionalities for highly efficient removal of acetylene from ethylene/acetylene mixtures
• Authors of publication: Tong-Liang Hu; Hailong Wang; Bin Li; Rajamani Krishna; Hui Wu; Wei Zhou; Yunfeng Zhao; Yu Han; Xue Wang; Weidong Zhu; Zizhu Yao; Shengchang Xiang; Banglin Chen
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 7328
• a: 12.1905 ± 0.0011 Å
• b: 14.4177 ± 0.0013 Å
• c: 20.4894 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3601.2 ± 0.6 ų
• Cell temperature: 100.33 ± 0.1 K
• Ambient diffraction temperature: 100.33 ± 0.1 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: 0.1106
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2303
• Weighted residual factors for all reflections included in the refinement: 0.2569
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No