Information card for entry 7058699

Structure parameters

• Formula: C20 H21 Br2 Cl Fe N3 O2
• Calculated formula: C20 H21 Br2 Cl Fe N3 O2
• 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: 15.733 ± 0.005 Å
• b: 15.024 ± 0.005 Å
• c: 10.024 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2369.4 ± 1.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No