Information card for entry 7226183

Structure parameters

• Formula: C36 H74 Cl4 N24 O30 Zn
• Calculated formula: C36 H34.6667 Cl4 N24 O12 Zn
• Title of publication: Supramolecular Assemblies Constructed from Inverted Cucurbit[7]uril and Lanthanide Cations: Synthesis, structure and sorption properties
• Authors of publication: Li, Qing; Qiu, Sheng-Chao; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Xiao, Xin; Zhu, Qian-Jiang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 42.1444 ± 0.0017 Å
• b: 19.0351 ± 0.0007 Å
• c: 24.3731 ± 0.0008 Å
• α: 90°
• β: 93.459 ± 0.002°
• γ: 90°
• Cell volume: 19517 ± 1.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No