Information card for entry 7227283

Structure parameters

• Formula: C10 H6 N3 O4 Zn1.5
• Calculated formula: C10 H6 N3 O4 Zn1.5
• 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: 8.6854 ± 0.0005 Å
• b: 19.7877 ± 0.0008 Å
• c: 7.9849 ± 0.0005 Å
• α: 90°
• β: 113.775 ± 0.007°
• γ: 90°
• Cell volume: 1255.86 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No