Information card for entry 7052914

Structure parameters

• Formula: C26 H28 Cu2 N4 O12
• Calculated formula: C26 H28 Cu2 N4 O12
• SMILES: c12cc(ccc2[N]2[Cu]3([O]1[Cu]15(OC(=C(N=[N]1c1c(cc(cc1)C(=O)O)[O]35)C(=O)C)C)[OH]C)(OC(C)=C(N=2)C(=O)C)[OH]C)C(=O)O
• Title of publication: Copper(ii) complexes with a new carboxylic-functionalized arylhydrazone of β-diketone as effective catalysts for acid-free oxidations
• Authors of publication: Kopylovich, Maximilian N.; Gajewska, Malgorzata J.; Mahmudov, Kamran T.; Kirillova, Marina V.; Figiel, Paweł J.; Guedes da Silva, M. Fátima C.; Gil-Hernández, Beatriz; Sanchiz, Joaquin; Pombeiro, Armando J. L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 8
• Pages of publication: 1646
• a: 9.1371 ± 0.0014 Å
• b: 9.2116 ± 0.0015 Å
• c: 10.2632 ± 0.0017 Å
• α: 63.521 ± 0.008°
• β: 68.961 ± 0.007°
• γ: 72.657 ± 0.007°
• Cell volume: 711.7 ± 0.2 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: 0.0896
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No