Information card for entry 2227742

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquacadmium(II)]bis[μ-2-(pyridinium-1- yl)butanedioato]-κ^2^<i>O</i>^1^:<i>O</i>^4^;κ^2^<i>O</i>^4^:<i>O</i>^1^] tetrahydrate]
• Formula: C18 H28 Cd N2 O14
• Calculated formula: C18 H28 Cd N2 O14
• SMILES: [Cd]1([OH2])([OH2])(OC(=O)[C@H]([n+]2ccccc2)CC(=O)O[Cd]([OH2])([OH2])(OC(=O)[C@@H]([n+]2ccccc2)CC(=O)O1)(OC(=O)C[C@@H]([n+]1ccccc1)C(=O)O)OC(=O)[C@@H]([n+]1ccccc1)CC(=O)O).O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquacadmium(II)]bis[μ-2-(pyridinium-1-yl)butanedioato]-κ^2^<i>O</i>^1^:<i>O</i>^4^;κ^2^<i>O</i>^4^:<i>O</i>^1^] tetrahydrate], a polymeric chain structure
• Authors of publication: Liu, Zhi-Hua; Zhu, Sen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1462
• a: 17.612 ± 0.004 Å
• b: 9.798 ± 0.002 Å
• c: 14.076 ± 0.003 Å
• α: 90°
• β: 102.63 ± 0.03°
• γ: 90°
• Cell volume: 2370.2 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes