Information card for entry 4002818

Structure parameters

• Formula: C120 H120 N80 O69
• Calculated formula: C120 H120 N80 O69
• Title of publication: Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations
• Authors of publication: Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 13
• Pages of publication: 5468
• a: 39.1 ± 0.008 Å
• b: 16.748 ± 0.003 Å
• c: 16.501 ± 0.003 Å
• α: 90°
• β: 90.01 ± 0.03°
• γ: 90°
• Cell volume: 10806 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 21/m 1 1
• Hall space group symbol: -P 2xa
• Residual factor for all reflections: 0.1434
• Residual factor for significantly intense reflections: 0.1357
• Weighted residual factors for significantly intense reflections: 0.3568
• Weighted residual factors for all reflections included in the refinement: 0.3649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: silicondoublecrystalmonochromatedsynchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No