Information card for entry 7054054

Structure parameters

• Formula: C87.5 H81.5 N8.5 O26.5 Zn7
• Calculated formula: C80 H60 N6 O22 Zn7
• Title of publication: A flexible, porous, cluster-based Zn-pyrazolate-dicarboxylate framework showing selective adsorption properties
• Authors of publication: Chen, Kai-Jie; He, Chun-Ting; Liao, Pei-Qin; Wei, Yong-Sheng; Zhang, Peng-Xiang; Xue, Wei; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 5
• Pages of publication: 2002
• a: 21.9889 ± 0.0003 Å
• b: 24.0194 ± 0.0002 Å
• c: 18.0882 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9553.47 ± 0.19 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No