Information card for entry 1551260

Structure parameters

• Chemical name: catena-(bis(μ2-4-hydroxy-1,6-dimethyl-3-pyridinecarboxylato)-copper(II) trihydrate
• Formula: C16 H22 Cu N2 O9
• Calculated formula: C16 H22 Cu N2 O9
• Title of publication: Relationship between solid state structure and solution stability of copper(ii)‒hydroxypyridinecarboxylate complexes
• Authors of publication: May, Nóra V.; Gál, G. Tamás; Szentendrei, Zsolt; Korecz, László; May, Zoltán; Ferlin, Maria Grazia; Dean, Annalisa; Bombicz, Petra; Di Marco, Valerio B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 27
• Pages of publication: 10699
• a: 13.5554 ± 0.0008 Å
• b: 12.9227 ± 0.0006 Å
• c: 10.2747 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1799.84 ± 0.16 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No