Information card for entry 2211719

Structure parameters

• Chemical name: catena-Poly[[diaquacopper(II)]-μ-pyridine-2,4-dicarboxylato-κ^3^N,O^2^:O^4^]
• Formula: C7 H7 Cu N O6
• Calculated formula: C7 H7 Cu N O6
• SMILES: [Cu]1(OC(=O)c2[n]1ccc(C(=O)[O-])c2)([OH2])([OH2])OC(=O)c1cc[n]2[Cu](OC(=O)c2c1)([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[diaquacopper(II)]-μ-pyridine-2,4-dicarboxylato-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^4^]
• Authors of publication: Wang, Li-Bin; Pan, Ya-Ru; Zhan, Pei-Ying; Niu, Yan-Ling; Zhang, Gao-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m204 - m206
• a: 7.1529 ± 0.001 Å
• b: 13.5737 ± 0.0018 Å
• c: 9.1813 ± 0.0013 Å
• α: 90°
• β: 107.797 ± 0.002°
• γ: 90°
• Cell volume: 848.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes