Information card for entry 4324316

Structure parameters

• Formula: C11 H13 Cu N3 O7
• Calculated formula: C11 H13 Cu N3 O7
• SMILES: c12c(ccc(c1)N(=O)=O)[N]1=NC(=C(C)O[Cu]1([OH2])(O2)[OH2])C(=O)C
• Title of publication: Ortho-Hydroxyphenylhydrazo-β-Diketones: Tautomery, Coordination Ability, and Catalytic Activity of Their Copper(II) Complexes toward Oxidation of Cyclohexane and Benzylic Alcohols
• Authors of publication: Maximilian N. Kopylovich; Kamran T. Mahmudov; M. Fátima C. Guedes da Silva; Paweł J. Figiel; Yauhen Yu. Karabach; Maxim L. Kuznetsov; Konstantin V. Luzyanin; Armando J. L. Pombeiro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 918 - 931
• a: 7.8105 ± 0.0009 Å
• b: 13.853 ± 0.0013 Å
• c: 13.9295 ± 0.0015 Å
• α: 66.727 ± 0.007°
• β: 78.783 ± 0.008°
• γ: 77.091 ± 0.008°
• Cell volume: 1340 ± 0.3 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: 0.1542
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2036
• Weighted residual factors for all reflections included in the refinement: 0.2519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No