Information card for entry 4340780

Structure parameters

• Formula: C132 H112 N42 O32 Zn9
• Calculated formula: C132 H84 N42 O24 Zn9
• 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: 14.473 ± 0.003 Å
• b: 17.611 ± 0.003 Å
• c: 20.541 ± 0.004 Å
• α: 68.12 ± 0.03°
• β: 77.79 ± 0.03°
• γ: 69.05 ± 0.03°
• Cell volume: 4518.7 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2115
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No