Information card for entry 2231175

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(1<i>H</i>-imidazole-κ<i>N^3^</i>)copper(II)]-μ- benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^]
• Formula: C14 H12 Cu N4 O4
• Calculated formula: C14 H12 Cu N4 O4
• SMILES: [Cu]([n]1cc[nH]c1)([n]1cc[nH]c1)(OC(=O)c1ccc(cc1)C(=O)[O-])OC(=O)c1ccc(cc1)C(=O)O[Cu]([n]1cc[nH]c1)[n]1cc[nH]c1
• Title of publication: <i>catena</i>-Poly[[bis(1<i>H</i>-imidazole-κ<i>N^3^</i>)copper(II)]-μ-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^]
• Authors of publication: Xu, Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1014
• a: 21.435 ± 0.004 Å
• b: 5.274 ± 0.0011 Å
• c: 14.164 ± 0.003 Å
• α: 90°
• β: 116.65 ± 0.03°
• γ: 90°
• Cell volume: 1431.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0394
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes