Information card for entry 7712985

Structure parameters

• Formula: C20 H16 Co2 N8 O4
• Calculated formula: C20 H16 Co2 N8 O4
• Title of publication: A mixed-ligand Co(II) MOF synthesized from a single organic ligand to capture iodine and methyl iodide vapour
• Authors of publication: Lin, Yilong; Zeng , Panyu; Wang , Die; Li, Tian-Tian; Wu, Liang-Hua; Zheng, Sheng-Run
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 25.418 ± 0.013 Å
• b: 32.433 ± 0.016 Å
• c: 6.875 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5668 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No