Information card for entry 7213559

Structure parameters

• Formula: C96 H241 Cl4 Er N64 O104
• Calculated formula: C96 H96 Cl4 Er0.9998 N64 O36
• Title of publication: [CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides
• Authors of publication: Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 2
• Pages of publication: 144
• a: 28.44 ± 0.003 Å
• b: 28.44 ± 0.003 Å
• c: 22.01 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17802 ± 5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1363
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.2098
• Weighted residual factors for all reflections included in the refinement: 0.2323
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No