Information card for entry 2018913

Structure parameters

• Chemical name: <i>catena</i>-poly[[copper(II)-bis[μ-3-carboxy-5-[(imidazol-1-yl)methyl]benzoato]] dimethylformamide disolvate]
• Formula: C30 H32 Cu N6 O10
• Calculated formula: C30 H32 Cu N6 O10
• SMILES: [Cu]1(OC(=O)c2cc(C(=O)O)cc(c2)Cn2ccc[n](c2)[Cu]OC(=O)c2cc(C(=O)O)cc(c2)Cc2c[n]1cc2)(OC(=O)c1cc(C(=O)O)cc(c1)Cn1cncc1)[n]1cn(Cc2cc(cc(C(=O)[O-])c2)C(=O)O)cc1.O=CN(C)C.O=CN(C)C
• Title of publication: A one-dimensional coordination polymer of 5-[(imidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid with Cu^II^ cations
• Authors of publication: Patra, Ranjan; Goldberg, Israel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: 344 - 347
• a: 7.5555 ± 0.0001 Å
• b: 21.9603 ± 0.0005 Å
• c: 9.8497 ± 0.0002 Å
• α: 90°
• β: 105.259 ± 0.0009°
• γ: 90°
• Cell volume: 1576.66 ± 0.05 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.082
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes