Information card for entry 2238689

Structure parameters

• Chemical name: <i>catena</i>-Poly[[triaquacopper(II)]-μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]
• Formula: C9 H10 Cu O9
• Calculated formula: C9 H10 Cu O9
• SMILES: [Cu](OC(=O)c1cc(C(=O)[O-])cc(c1)C(=O)O)([OH2])([OH2])([OH2])OC(=O)c1cc(C(=O)O[Cu]([OH2])([OH2])[OH2])cc(c1)C(=O)O
• Title of publication: <i>catena</i>-Poly[[triaquacopper(II)]-μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]
• Authors of publication: Ma, Yu-Hong; Ma, Pi-Zhuang; Yao, Ting; Hao, Jing-Tuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: m538
• a: 6.8551 ± 0.0014 Å
• b: 18.892 ± 0.004 Å
• c: 10.716 ± 0.003 Å
• α: 90°
• β: 126.87 ± 0.02°
• γ: 90°
• Cell volume: 1110.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No