Information card for entry 7218041

Structure parameters

• Formula: C120 H194 N4 O45 Zn2
• Calculated formula: C120 H126 N4 O45 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: 11.969 ± 0.001 Å
• b: 14.298 ± 0.002 Å
• c: 19.673 ± 0.0013 Å
• α: 88.059 ± 0.004°
• β: 89.676 ± 0.006°
• γ: 83.535 ± 0.005°
• Cell volume: 3343.4 ± 0.6 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: 0.1189
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No