Information card for entry 2233782

Structure parameters

• Chemical name: μ-4,4'-Bipyridine-bis[aqua(4-hydroxypyridine-2,6-dicarboxylato)copper(II)]
• Formula: C24 H18 Cu2 N4 O12
• Calculated formula: C24 H18 Cu2 N4 O12
• SMILES: C1(=O)c2cc(cc3C(=O)O[Cu]([n]23)([n]2ccc(c3cc[n](cc3)[Cu]34([n]5c(C(=O)O3)cc(cc5C(=O)O4)O)[OH2])cc2)(O1)[OH2])O
• Title of publication: μ-4,4'-Bipyridine-bis[aqua(4-hydroxypyridine-2,6-dicarboxylato)copper(II)]
• Authors of publication: Chen, Xiao-Li; Qiao, Ya-Li; Gao, Lou-Jun; Cui, Hua-Li; Zhang, Mei-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m326 - m327
• a: 8.3945 ± 0.0009 Å
• b: 18.433 ± 0.002 Å
• c: 7.8686 ± 0.001 Å
• α: 90°
• β: 100.044 ± 0.002°
• γ: 90°
• Cell volume: 1198.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0575
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes