Information card for entry 7218040

Structure parameters

• Formula: C62 H87 N O18 Zn2
• Calculated formula: C62 H65 N O18 Zn2
• Title of publication: An unusual lamellar framework constructed from a tetracarboxylatocalix[4]arene with highly efficient metal-ion exchange
• Authors of publication: Li, Xiao-Tong; Li, Jing; Li, Meng; Liu, Ying-Ying; Song, Shu-Yan; Ma, Jian-Fang
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 40
• Pages of publication: 9520
• a: 12.2409 ± 0.0006 Å
• b: 13.5072 ± 0.0007 Å
• c: 20.2897 ± 0.0014 Å
• α: 103.942 ± 0.01°
• β: 100.864 ± 0.008°
• γ: 93.222 ± 0.005°
• Cell volume: 3179.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No