Information card for entry 2236077

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquacopper(II)]-μ-quinoline-2,3-dicarboxylato- κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^] monohydrate]
• Formula: C11 H11 Cu N O7
• Calculated formula: C11 H11 Cu N O7
• SMILES: [Cu]1(OC(=O)c2[n]1c1c(cc2C(=O)[O-])cccc1)([OH2])([OH2])OC(=O)c1cc2ccccc2[n]2[Cu](OC(=O)c12)([OH2])[OH2].O.O
• Title of publication: <i>catena</i>-Poly[[[diaquacopper(II)]-μ-quinoline-2,3-dicarboxylato-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^] monohydrate]
• Authors of publication: Xia, Qiao-Hua; Guo, Zhong-Fu; Liu, Li; Wang, Zhi-kun; Li, Bing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1395
• a: 7.0284 ± 0.0014 Å
• b: 7.5836 ± 0.0015 Å
• c: 13.276 ± 0.003 Å
• α: 104.74 ± 0.03°
• β: 91.19 ± 0.03°
• γ: 116.03 ± 0.03°
• Cell volume: 607.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes