Information card for entry 4324313

Structure parameters

• Formula: C14 H15 Cu N3 O6
• Calculated formula: C14 H15 Cu N3 O6
• SMILES: c12c(cc(cc1)N(=O)=O)O[Cu]1(N2N=C2C(=O)CC(CC2=[O]1)(C)C)[OH2]
• 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: 6.9703 ± 0.0025 Å
• b: 7.5127 ± 0.0025 Å
• c: 16.1041 ± 0.0058 Å
• α: 92.337 ± 0.023°
• β: 91.659 ± 0.023°
• γ: 113.541 ± 0.021°
• Cell volume: 771.5 ± 0.5 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: 0.0718
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No