Information card for entry 2217012

Structure parameters

• Chemical name: catena-Poly[[[triaquacopper(II)]-μ~2~-pyrazine-2,3-dicarboxylato] monohydrate]
• Formula: C6 H10 Cu N2 O8
• Calculated formula: C6 H10 Cu N2 O8
• SMILES: [Cu]1([n]2c(C(=O)O1)c(ncc2)C(=O)[O-])([OH2])([OH2])([OH2])OC(=O)c1ncc[n]2[Cu](OC(=O)c12)([OH2])([OH2])[OH2].O.O
• Title of publication: <i>catena</i>-Poly[[[triaquacopper(II)]-μ~2~-pyrazine-2,3-dicarboxylato] monohydrate]
• Authors of publication: Wei-Ping Wu; Feng-Chun Zeng; Yu Wu; Jian Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m61 - m61
• a: 8.4254 ± 0.0004 Å
• b: 18.0692 ± 0.0008 Å
• c: 7.4187 ± 0.0003 Å
• α: 90°
• β: 114.412 ± 0.001°
• γ: 90°
• Cell volume: 1028.45 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0365
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes