Information card for entry 1518538

Structure parameters

• Formula: C19 H33 Cl3 Fe N5 O3
• Calculated formula: C19 H33 Cl3 Fe N5 O3
• SMILES: [Fe]12(Cl)(Cl)(Oc3ccccc3C=[N]1CC[N]12CC[NH2+]CC1)[O]=CN(C)C.[Cl-].O=CN(C)C
• Title of publication: Catalytic behaviour of a novel Fe(iii) Schiff base complex in the mild oxidation of cyclohexane
• Authors of publication: Nesterov, Dmytro S.; Nesterova, Oksana V.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1801
• a: 7.2528 ± 0.0004 Å
• b: 12.6837 ± 0.0006 Å
• c: 14.9215 ± 0.0008 Å
• α: 106.95 ± 0.002°
• β: 99.766 ± 0.002°
• γ: 99.208 ± 0.003°
• Cell volume: 1261.66 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No