Information card for entry 7052915

Structure parameters

• Formula: C15 H19 Cu N3 O7
• Calculated formula: C15 H19 Cu N3 O7
• SMILES: c12c(ccc(c1)C(=O)O)[N]1[Cu](O2)(OC(=C(N=1)C(=O)C)C)([O]=CN(C)C)[OH2]
• Title of publication: Copper(ii) complexes with a new carboxylic-functionalized arylhydrazone of β-diketone as effective catalysts for acid-free oxidations
• Authors of publication: Kopylovich, Maximilian N.; Gajewska, Malgorzata J.; Mahmudov, Kamran T.; Kirillova, Marina V.; Figiel, Paweł J.; Guedes da Silva, M. Fátima C.; Gil-Hernández, Beatriz; Sanchiz, Joaquin; Pombeiro, Armando J. L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 8
• Pages of publication: 1646
• a: 8.6358 ± 0.0002 Å
• b: 10.3215 ± 0.0002 Å
• c: 10.8552 ± 0.0003 Å
• α: 85.894 ± 0.001°
• β: 71.985 ± 0.002°
• γ: 66.528 ± 0.001°
• Cell volume: 842.52 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.028
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No