Information card for entry 7709846

Structure parameters

• Formula: C56 H76 N18 O26 S2 Zn3
• Calculated formula: C46 H46 N14 O24 S2 Zn3
• Title of publication: Cu(ii) and Zn(ii) frameworks constructed by directional tuning of diverse substituted groups on a triazine skeleton and supermassive adsorption behavior for iodine and dyes
• Authors of publication: Cai, He-Qun; Zeng, Guang; You, Zi-Xin; Wang, Chen; Sun, Li-Xian; Bai, Feng-Ying; Xing, Yong-Heng
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 30.492 ± 0.002 Å
• b: 11.9895 ± 0.0009 Å
• c: 21.9612 ± 0.0017 Å
• α: 90°
• β: 109.883 ± 0.001°
• γ: 90°
• Cell volume: 7550.1 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9619
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No