Information card for entry 7055799

Structure parameters

• Formula: C26 H26 Cu2 N6 O12
• Calculated formula: C26 H26 Cu2 N6 O12
• SMILES: C1(=NN2[Cu]3([O](c4cc(ccc24)C(=O)O)[Cu]24([O]=C(C(C#N)=NN2c2c(cc(cc2)C(=O)O)[O]34)OCC)[OH]C)([O]=C1OCC)[OH]C)C#N
• Title of publication: Copper(ii) and iron(iii) complexes with arylhydrazone of ethyl 2-cyanoacetate or formazan ligands as catalysts for oxidation of alcohols
• Authors of publication: Martins, Nuno M. R.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 10071
• a: 7.5555 ± 0.0002 Å
• b: 9.9153 ± 0.0003 Å
• c: 11.7151 ± 0.0003 Å
• α: 102.312 ± 0.002°
• β: 108.492 ± 0.003°
• γ: 102.9 ± 0.003°
• Cell volume: 772.07 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0453
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No