Information card for entry 1551257

Structure parameters

• Chemical name: "'bis(μ2-4-hydroxy-1-(2-hydroxyethyl)-6-methyl-3-pyridinecarboxylato)-bis(μ2-4-hydroxy-1-(2-hydroxyethyl)-6-methyl-3-pyridinecarboxylato)-bis(μ2-4-hydroxy-1-(2-hydroxyethyl)-6-methyl-3-pyridinecarboxylato)-tri-copper(II) nonahydrate'"
• Formula: C54 H88 Cu3 N6 O42
• Calculated formula: C54 H88 Cu3 N6 O42
• 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: 12.1956 ± 0.0004 Å
• b: 12.4877 ± 0.0004 Å
• c: 12.6185 ± 0.0005 Å
• α: 98.978 ± 0.001°
• β: 91.071 ± 0.001°
• γ: 113.119 ± 0.001°
• Cell volume: 1738.97 ± 0.11 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No