Information card for entry 7212714

Structure parameters

• Formula: C30 H62 O43 Tb4
• Calculated formula: C30 H62.01 O43 Tb4
• Title of publication: Unique (H2O)14 water cages with cyclic (H2O)4 tetramer unit trapped in 3D porous lanthanide‒cyclohexanetetracarboxylate frameworks
• Authors of publication: Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4020
• a: 19.652 ± 0.003 Å
• b: 19.652 ± 0.003 Å
• c: 22.048 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7374 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No