Information card for entry 7058702

Structure parameters

• Formula: C23 H29 Cl Fe N3 O4
• Calculated formula: C23 H29 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: 9.9944 ± 0.0002 Å
• b: 22.3122 ± 0.0005 Å
• c: 10.9698 ± 0.0002 Å
• α: 90°
• β: 107.526 ± 0.002°
• γ: 90°
• Cell volume: 2332.68 ± 0.09 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.054
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No