Information card for entry 2014659

Structure parameters

• Chemical name: poly[copper(II)-μ-5-carboxy-1H-imidazole-4-carboxylato],
• Formula: C10 H6 Cu N4 O8
• Calculated formula: C10 H6 Cu N4 O8
• SMILES: [Cu]12(OC(=O)c3[n]1c[nH]c3C(=O)O)(OC(=O)c1[n]2c[nH]c1C(=O)O)[O]=C(O)c1[nH]c[n]2[Cu]3(OC(=O)c12)OC(=O)c1[n]3c[nH]c1C(=O)O
• Title of publication: A three-dimensional supramolecular network built with the zigzag chain complex bis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato)copper(II)
• Authors of publication: Bai, Yue-Ling; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m98 - m100
• a: 7.112 ± 0.001 Å
• b: 14.676 ± 0.003 Å
• c: 12.145 ± 0.002 Å
• α: 90°
• β: 96.65 ± 0.03°
• γ: 90°
• Cell volume: 1259.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0616
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No