Information card for entry 4340779

Structure parameters

• Formula: C74 H62 N24 O15 Zn5
• Calculated formula: C74 H62 N24 O15 Zn5
• Title of publication: Zn(II)-Benzotriazolate Clusters Based Amide Functionalized Porous Coordination Polymers with High CO2 Adsorption Selectivity.
• Authors of publication: Chen, Yong-Qiang; Qu, Yang-Kun; Li, Guo-Rong; Zhuang, Zhan-Zhong; Chang, Ze; Hu, Tong-Liang; Xu, Jian; Bu, Xian-He
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 8842 - 8844
• a: 49.31 ± 0.03 Å
• b: 15.081 ± 0.01 Å
• c: 29.103 ± 0.018 Å
• α: 90°
• β: 99.335 ± 0.013°
• γ: 90°
• Cell volume: 21356 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No