Information card for entry 7058692

Structure parameters

• Formula: C21 H23 Br2 Cl Fe N3 O4
• Calculated formula: C21 H23 Br2 Cl Fe N3 O4
• 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: 12.185 ± 0.001 Å
• b: 16.5136 ± 0.0009 Å
• c: 13.1192 ± 0.0009 Å
• α: 90°
• β: 114.409 ± 0.009°
• γ: 90°
• Cell volume: 2403.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1041
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No