Information card for entry 7101305

Structure parameters

• Formula: C48 H78 Cd6 Na12 O75
• Calculated formula: C48 H24 Cd6 Na12 O75
• Title of publication: Two new 3D metal-organic frameworks of nanoscale cages constructed by Cd(II) and conformation-flexible cyclohexanehexacarboxylate
• Authors of publication: Jing Wang; Yue-Hua Zhang; Ming-Liang Tong
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 30
• a: 26.01 ± 0.001 Å
• b: 26.01 ± 0.001 Å
• c: 20.8538 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12217.9 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No