Information card for entry 4317200

Structure parameters

• Formula: C40 H40 Cd N8 O6
• Calculated formula: C40 H40 Cd N8 O6
• Title of publication: Adsorption and Separation of Organic Six-Membered Ring Analogues on Neutral Cd(II)-MOF Generated from Asymmetric Schiff-Base Ligand
• Authors of publication: Li Duan; Zhen-Hua Wu; Jian-Ping Ma; Xiang-Wen Wu; Yu-Bin Dong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11164 - 11173
• a: 14.113 ± 0.003 Å
• b: 14.45 ± 0.003 Å
• c: 9.6194 ± 0.0018 Å
• α: 90°
• β: 109.299 ± 0.003°
• γ: 90°
• Cell volume: 1851.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No