Information card for entry 7239541

Structure parameters

• Formula: C84 H48 N20 O17 Zn8
• Calculated formula: C83.98 H48 N20 O16.98 Zn8
• Title of publication: A cationic microporous metal‒organic framework for highly selective separation of small hydrocarbons at room temperature
• Authors of publication: Xu, Hui; Cai, Jianfeng; Xiang, Shengchang; Zhang, Zhangjing; Wu, Chuande; Rao, Xiangtang; Cui, Yuanjing; Yang, Yu; Krishna, Rajamani; Chen, Banglin; Qian, Guodong
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2013
• Journal volume: 1
• Journal issue: 34
• Pages of publication: 9916
• a: 28.7876 ± 0.0011 Å
• b: 28.7876 ± 0.0011 Å
• c: 11.1348 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9227.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2139
• Weighted residual factors for all reflections included in the refinement: 0.234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No