Information card for entry 4324312

Structure parameters

• Formula: C28 H32 Cu2 N4 O8
• Calculated formula: C28 H32 Cu2 N4 O8
• SMILES: N1=[N]2[Cu]34([O](c5c2cccc5)[Cu]254(OC4=C(N=[N]2c2c(cccc2)[O]35)C(=O)CC(C4)(C)C)[OH2])(OC2=C1C(=O)CC(C2)(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: 10.2942 ± 0.0006 Å
• b: 6.3348 ± 0.0003 Å
• c: 21.6292 ± 0.0013 Å
• α: 90°
• β: 92.282 ± 0.004°
• γ: 90°
• Cell volume: 1409.36 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No