Information card for entry 7051319

Structure parameters

• Chemical name: catena-[(mu!2$-pyridin-3-onato-N,0)-{aqua-(pyridin-3-onato) (3-hydroxypyridine)-copper(II)}-water(1/2)]
• Formula: C15 H19 Cu N3 O6
• Calculated formula: C15 H19 Cu N3 O6
• Title of publication: Synthesis, crystal structure, thermal behaviour and magnetic properties of a novel one-dimensional copper(II) complex containing neutral and deprotonated 3-hydroxypyridine ligands
• Authors of publication: Castillo, Oscar; Luque, Antonio; Iglesias, Sonia; Vitoria, Pablo; Román, Pascual
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 771
• a: 8.992 ± 0.002 Å
• b: 13.718 ± 0.001 Å
• c: 14.13 ± 0.003 Å
• α: 90°
• β: 103.87 ± 0.02°
• γ: 90°
• Cell volume: 1692.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0716
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No