Information card for entry 7210822

Structure parameters

• Formula: C36 H92 Cl5 Er N24 O40 Zn
• Calculated formula: C36 H36 Cl5 Er N24 O16 Zn
• Title of publication: Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides
• Authors of publication: Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 39
• Pages of publication: 7987
• a: 15.142 ± 0.002 Å
• b: 15.54 ± 0.002 Å
• c: 16.992 ± 0.002 Å
• α: 63.894 ± 0.005°
• β: 80.645 ± 0.005°
• γ: 81.604 ± 0.005°
• Cell volume: 3530.1 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No