Information card for entry 7055801

Structure parameters

• Formula: C17 H31 Cu N7 O7
• Calculated formula: C17 H31 Cu N7 O7
• SMILES: C(=C(/N=N/c1c(cc(cc1)C(=O)[O-])O)C(=O)OCC)=N[Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.CO.O
• 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: 30.61 ± 0.003 Å
• b: 6.93 ± 0.0006 Å
• c: 23.4642 ± 0.0019 Å
• α: 90°
• β: 103.391 ± 0.003°
• γ: 90°
• Cell volume: 4842.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0643
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No