Information card for entry 7218042

Structure parameters

• Formula: C66 H94 Cd2 N2 O20
• Calculated formula: C66 H72 Cd2 N2 O20
• 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: 11.9388 ± 0.0014 Å
• b: 15.036 ± 0.002 Å
• c: 20.9814 ± 0.0012 Å
• α: 84.88 ± 0.006°
• β: 80.637 ± 0.004°
• γ: 71.171 ± 0.003°
• Cell volume: 3514.6 ± 0.7 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: 0.1333
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No