Information card for entry 2216401

Structure parameters

• Chemical name: Poly[tetraaqua(μ~6~-benzene-1,2,4,5-tetracarboxylato)dicopper(II)]
• Formula: C5 H5 Cu O6
• Calculated formula: C5 H5 Cu O6
• Title of publication: Poly[tetraaqua(μ~6~-benzene-1,2,4,5-tetracarboxylato)dicopper(II)]
• Authors of publication: Ling, Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3190 - m3190
• a: 5.2594 ± 0.001 Å
• b: 16.342 ± 0.003 Å
• c: 8.1426 ± 0.0015 Å
• α: 90°
• β: 97.939 ± 0.002°
• γ: 90°
• Cell volume: 693.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes