Information card for entry 2219585

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[triaquacopper(II)]-μ-pyridine-2,3-dicarboxylato- κ^3^N,O^2^:O^3^] monohydrate]
• Formula: C7 H11 Cu N O8
• Calculated formula: C7 H11 Cu N O8
• SMILES: [Cu]1([OH2])([OH2])([OH2])[n]2c(C(=O)O1)c(ccc2)C(=O)O[Cu]1([OH2])([OH2])([OH2])[n]2c(C(=O)O1)c(ccc2)C(=O)[O-].O.O
• Title of publication: <i>catena</i>-Poly[[[triaquacopper(II)]-μ-pyridine-2,3-dicarboxylato-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^] monohydrate]
• Authors of publication: Hao, Lujiang; Mu, Chunhua; Kong, Binbin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1229
• a: 8.513 ± 0.003 Å
• b: 17.983 ± 0.003 Å
• c: 7.493 ± 0.003 Å
• α: 90°
• β: 114.486 ± 0.01°
• γ: 90°
• Cell volume: 1043.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes