Information card for entry 2221862

Structure parameters

• Chemical name: Poly[diaqua(μ~3~-pyridine-3,5-dicarboxylato- κ^3^<i>N</i>:<i>O</i>^3^:<i>O</i>^5^)copper(II)]
• Formula: C7 H7 Cu N O6
• Calculated formula: C7 H7 Cu N O6
• Title of publication: Poly[diaqua(μ~3~-pyridine-3,5-dicarboxylato-κ^3^<i>N</i>:<i>O</i>^3^:<i>O</i>^5^)copper(II)]
• Authors of publication: Du, Lin; Li, Li-Nan; Zhao, Qi-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m556
• a: 10.1285 ± 0.0016 Å
• b: 12.0669 ± 0.0019 Å
• c: 7.277 ± 0.0011 Å
• α: 90°
• β: 101.584 ± 0.002°
• γ: 90°
• Cell volume: 871.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes