Information card for entry 2205961

Structure parameters

• Chemical name: catena-Poly[bis[aquacopper(I)-μ-4,4'-bipyridine-κ^2^N:N'] terephthalate dihydrate]
• Formula: C28 H28 Cu2 N4 O8
• Calculated formula: C28 H28 Cu2 N4 O8
• SMILES: [Cu]([OH2])[n]1ccc(cc1)c1cc[n](cc1)[Cu]([OH2])[n]2ccc(cc2)c2ccncc2.[O-]C(=O)c1ccc(C(=O)[O-])cc1.O.O
• Title of publication: <i>catena</i>-Poly[bis[aquacopper(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] terephthalate dihydrate]
• Authors of publication: Zhang, Xue-Li; Lu, Yu-Juan; Li, Ji-Zhen; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1061 - m1062
• a: 9.4575 ± 0.0008 Å
• b: 21.398 ± 0.002 Å
• c: 7.1568 ± 0.0006 Å
• α: 90°
• β: 110.639 ± 0.001°
• γ: 90°
• Cell volume: 1355.4 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes