Information card for entry 2203847

Structure parameters

• Chemical name: catena-Poly[[[(2,2'-bipyridine)copper(II)]-μ-terephthalato] N,N-dimethylformamide solvate]
• Formula: C21 H19 Cu N3 O5
• Calculated formula: C21 H19 Cu N3 O5
• SMILES: [Cu]12([O]=C(O1)c1ccc(cc1)C(=O)[O-])([n]1ccccc1c1[n]2cccc1)OC(=O)c1ccc(C2=[O][Cu]3(O2)[n]2ccccc2c2[n]3cccc2)cc1.O=CN(C)C.O=CN(C)C
• Title of publication: <i>catena</i>-Poly[[[(2,2'-bipyridine)copper(II)]-μ-terephthalato] <i>N</i>,<i>N</i>-dimethylformamide solvate]
• Authors of publication: Xin-Hua, Li; Hong-Ping, Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m898 - m900
• a: 16.6884 ± 0.0007 Å
• b: 10.9585 ± 0.0005 Å
• c: 22.0082 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4024.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes