Information card for entry 7236035

Structure parameters

• Formula: C44 H53 Fe N4 O6
• Calculated formula: C44 H53 Fe N4 O6
• Title of publication: Iron(iii) and cobalt(iii) complexes with both tautomeric (keto and enol) forms of aroylhydrazone ligands: catalysts for the microwave assisted oxidation of alcohols
• Authors of publication: Sutradhar, Manas; Alegria, Elisabete C. B. A.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 8079
• a: 17.1427 ± 0.0014 Å
• b: 14.5854 ± 0.0013 Å
• c: 17.4812 ± 0.0014 Å
• α: 90 ± 0.002°
• β: 100.604 ± 0.002°
• γ: 90 ± 0.002°
• Cell volume: 4296.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1924
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No