Information card for entry 7058696

Structure parameters

• Formula: C22 H27 Br2 Cl Fe N3 O5
• Calculated formula: C22 H27 Br2 Cl Fe N3 O5
• Title of publication: Impact of the Schiff base ligand substituents on the solid state and solution properties of eleven iron(iii) complexes
• Authors of publication: Pogány, Lukáš; Brachňaková, Barbora; Masárová, Petra; Moncol, Ján; Pavlik, Ján; Gál, Miroslav; Mazúr, Milan; Herchel, Radovan; Nemec, Ivan; Šalitroš, Ivan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 13916
• a: 12.007 ± 0.001 Å
• b: 16.941 ± 0.001 Å
• c: 13.663 ± 0.001 Å
• α: 90°
• β: 112.82 ± 0.01°
• γ: 90°
• Cell volume: 2561.7 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2067
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No