Information card for entry 4324311

Structure parameters

• Formula: C24 H28 Cu2 N4 O8
• Calculated formula: C24 H28 Cu2 N4 O8
• SMILES: c12ccccc1[N]1[Cu]3([O]2[Cu]24(OC(=C(C(=O)C)N=[N]2c2c(cccc2)[O]34)C)[OH]C)(OC(=C(N=1)C(=O)C)C)[OH]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: 8.9125 ± 0.0008 Å
• b: 9.0038 ± 0.0007 Å
• c: 9.2847 ± 0.0007 Å
• α: 86.053 ± 0.004°
• β: 67.287 ± 0.003°
• γ: 71.695 ± 0.003°
• Cell volume: 651.34 ± 0.09 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: 0.0335
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No