Information card for entry 1519083

Structure parameters

• Formula: C14 H12 Cu N2 Na2 O11
• Calculated formula: C14 Cu N2 Na2 O11
• SMILES: [Cu]12([OH2])(OC(=O)c3[n]1ccc(c3)C(=O)[O-])OC(=O)c1[n]2ccc(c1)C(=O)[O-].[Na+].[Na+].O.O
• Title of publication: Solid-State Coordination Chemistry of Pyridinedicarboxylic Acid Isomers. II. Crystal and Molecular Structure of Sodium Bis(pyridine-2,4-dicarboxylato)cuprate(II) trihydrate.
• Authors of publication: Sileo, Elsa E.; Rigotti, Graciela; Piro, Oscar E.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1999
• Journal volume: 53
• Pages of publication: 535 - 541
• a: 12.969 ± 0.005 Å
• b: 8.3153 ± 0.0009 Å
• c: 16.004 ± 0.002 Å
• α: 90°
• β: 103.36 ± 0.02°
• γ: 90°
• Cell volume: 1679.2 ± 0.7 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.222
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No