Information card for entry 7121963

Structure parameters

• Formula: C216 H216 Cl5 N36 Ni4 O20
• Calculated formula: C216 H216 Cl5 N36 Ni4 O19.96
• Title of publication: Chiral supramolecular coordination cages as high-performance inhibitors against amyloid-β aggregation.
• Authors of publication: Bao, Ling-Yu; Hao, Si-Jia; Xi, Sai-Fei; Yan, Xiaodong; Zhang, Hai-Xia; Shen, Rui; Gu, Zhi-Guo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 63
• Pages of publication: 8725 - 8728
• a: 22.4671 ± 0.0011 Å
• b: 22.4671 ± 0.0011 Å
• c: 22.4671 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11340.7 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.1439
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No