Information card for entry 2216474

Structure parameters

• Chemical name: catena-Poly[[diaquacopper(II)]-μ-2,2'-bipyridine-3,3'-dicarboxylate]
• Formula: C12 H10 Cu N2 O6
• Calculated formula: C12 H10 Cu N2 O6
• SMILES: [Cu]1([OH2])([OH2])[n]2cccc3c2c2[n]1cccc2C(=O)O[Cu]1([OH2])([OH2])(OC3=O)[n]2cccc(c2c2[n]1cccc2C(=O)[O-])C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[diaquacopper(II)]-μ-2,2'-bipyridine-3,3'-dicarboxylate]
• Authors of publication: Liang-Gui Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3155 - m3155
• a: 11.3254 ± 0.0015 Å
• b: 7.8829 ± 0.001 Å
• c: 13.1264 ± 0.0017 Å
• α: 90°
• β: 100.519 ± 0.002°
• γ: 90°
• Cell volume: 1152.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes