Information card for entry 2214576

Structure parameters

• Chemical name: κO)copper(II)]]-di-μ-terephthalato-κ^4^O^1^:O^4^]
• Formula: C32 H34 Cu2 N4 O12
• Calculated formula: C32 H34 Cu2 N4 O12
• SMILES: [Cu]1([O]=CN(C)C)([OH2])(OC(=O)c2ccc(cc2)C(=O)[O-])OC(=O)c2ccc(cc2)C(=O)O[Cu]([O]=CN(C)C)([OH2])[n]2ccc(cc2)c2cc[n](cc2)[Cu]([O]=CN(C)C)([OH2])OC(=O)c2ccc(cc2)C(=O)O[Cu]([O]=CN(C)C)([OH2])([n]2ccc(c3cc[n]1cc3)cc2)OC(=O)c1ccc(cc1)C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis[aqua(dimethylformamide-κ<i>O</i>)copper(II)]]-di-μ-terephthalato-κ^4^<i>O</i>^1^:<i>O</i>^4^]
• Authors of publication: Xu, Ji-Yang; Chen, Bang-Lin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2200 - m2200
• a: 10.8424 ± 0.0002 Å
• b: 14.3465 ± 0.0003 Å
• c: 11.1929 ± 0.0002 Å
• α: 90°
• β: 108.741 ± 0.001°
• γ: 90°
• Cell volume: 1648.75 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0598
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0863
• 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