Information card for entry 7014486

Structure parameters

• Formula: C11 H15 Cu N O5
• Calculated formula: C11 H15 Cu N O5
• SMILES: c12ccccc1O[Cu]1([N](=C2)C(C(=O)O1)(C)C)([OH2])[OH2]
• Title of publication: Synthesis, crystal structure and antiradical effect of copper(II) Schiff base complexes containing five-, six- and unusual seven-membered rings.
• Authors of publication: Puterová, Zita; Valentová, Jindra; Bojková, Zuzana; Kožíšek, Jozef; Devínsky, Ferdinand
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 1484 - 1490
• a: 17.3438 ± 0.0012 Å
• b: 6.9318 ± 0.0003 Å
• c: 21.7275 ± 0.0014 Å
• α: 90°
• β: 93.486 ± 0.005°
• γ: 90°
• Cell volume: 2607.3 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 0.604
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No