Information card for entry 4127129

Structure parameters

• Formula: C480 H528 Cl12 Cr12 N24 O105 Zr24
• Calculated formula: C480 H528 Cl12 Cr12 N24 O105 Zr24
• Title of publication: Design and Assembly of Chiral Coordination Cages for Asymmetric Sequential Reactions.
• Authors of publication: Jiao, Jingjing; Tan, Chunxia; Li, Zijian; Liu, Yan; Han, Xing; Cui, Yong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 34.2265 ± 0.0014 Å
• b: 34.2265 ± 0.0014 Å
• c: 83.822 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 85038 ± 6 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.1963
• Residual factor for significantly intense reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.249
• Weighted residual factors for all reflections included in the refinement: 0.3501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No