Information card for entry 7227277

Structure parameters

• Formula: C12 H12 N22 O12 Zn5
• Calculated formula: C12 H12 N22 O12 Zn5
• Title of publication: Metal‒organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 °C
• Authors of publication: Ye, Yingxiang; Wu, Xiuzhen; Yao, Zizhu; Wu, Ling; Cai, Zetao; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 4062 - 4070
• a: 15.5031 ± 0.0004 Å
• b: 15.5031 ± 0.0004 Å
• c: 12.0934 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2906.6 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No