Information card for entry 4324314

Structure parameters

• Formula: C24 H24 Cu2 N4 O8
• Calculated formula: C24 H24 Cu2 N4 O8
• SMILES: c12c(cccc1)[O]1[Cu]3(OC(=C(C(=O)OCC)N=[N]23)C)O2c3c(cccc3)[N]3[Cu]12[O]=C(C(=N3)C(=O)OCC)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: 20.618 ± 0.004 Å
• b: 10.3393 ± 0.0019 Å
• c: 23.857 ± 0.004 Å
• α: 90°
• β: 92.033 ± 0.006°
• γ: 90°
• Cell volume: 5082.5 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No