Information card for entry 2223582

Structure parameters

• Chemical name: poly[[di-μ-aqua(μ-2,2'-bipyridyl-5,5'-dicarboxylato)dipotassium] dihydrate]
• Formula: C12 H14 K2 N2 O8
• Calculated formula: C12 H10 K2 N2 O8
• SMILES: c1(ccc(cn1)C(=O)[O-])c1ccc(cn1)C(=O)[O-].O.O.[K+].[K+].O.O
• Title of publication: Synchrotron study of poly[[di-μ-aqua(μ-2,2'-bipyridyl-5,5'-dicarboxylato)dipotassium] dihydrate]
• Authors of publication: Bertke, Jeffrey A.; Oliver, Allen G.; Henderson, Kenneth W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1265 - m1266
• a: 3.6769 ± 0.0006 Å
• b: 8.2042 ± 0.0014 Å
• c: 26.292 ± 0.004 Å
• α: 90°
• β: 92.924 ± 0.002°
• γ: 90°
• Cell volume: 792.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0595
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes