Information card for entry 2242553

Structure parameters

• Chemical name: Tetraaquabis[<i>N</i>,<i>N</i>'-bis(pyridin-4-yl)pyridine-2,6-\ dicarboxamide]cadmium(II) sulfate tetrahydrate
• Formula: C34 H42 Cd N10 O16 S
• Calculated formula: C34 H42 Cd N10 O16 S
• SMILES: [Cd]([OH2])([OH2])([OH2])([OH2])([n]1ccc(NC(=O)c2nc(ccc2)C(=O)Nc2ccncc2)cc1)[n]1ccc(NC(=O)c2nc(ccc2)C(=O)Nc2ccncc2)cc1.S(=O)(=O)([O-])[O-].O.O.O.O
• Title of publication: Two <i>N</i>,<i>N</i>'-bis(pyridin-4-yl)pyridine-2,6-dicarboxamide coordination compounds
• Authors of publication: Guo, Yue-Xin; Ma, Hong-Cui; Bo, Ren; Zhao, Ning; Zhao, Li-Gang; Li, Jin-Peng; Hou, Hong-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 8
• Pages of publication: 1049 - 1053
• a: 14.706 ± 0.003 Å
• b: 10.157 ± 0.002 Å
• c: 27.293 ± 0.006 Å
• α: 90°
• β: 99.52 ± 0.03°
• γ: 90°
• Cell volume: 4020.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0557
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes