Information card for entry 7219002

Structure parameters

• Formula: C6 H4.36 N3.36 O3 Zn
• Calculated formula: C6 H4.361 N3.361 O3 Zn
• Title of publication: Formation of a Metal-Organic Framework with High Gases Uptakes Based upon Amino-Decorated Polyhedral Cages
• Authors of publication: Yun, Ruirui; Cui, Ranran; Qian, Fujun; Cao, Xiaoyan; luo, shizhong; Zheng, Baishu
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 13.4537 ± 0.0009 Å
• b: 13.4537 ± 0.0009 Å
• c: 27.329 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4946.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No