Information card for entry 7063448

Structure parameters

• Formula: C19 H26 Fe N5 O6
• Calculated formula: C19 H26 Fe N5 O6
• Title of publication: Spin Crossover Behaviour of Asymmetrical Iron(III) Schiff Base Complexes from Ethylenediamine
• Authors of publication: Tesfaye, Dawit; Gebrezgiabher, Mamo; Braun, Jonas; Sani, Taju; Gismelseed, Abbasher M.; Hochdörffer, Tim; Schunemann, Volker; Kuchár, Juraj; Černák, Juraj; Anson, Christopher; Thomas, Madhu; Powell, Annie K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 7.5856 ± 0.0005 Å
• b: 25.835 ± 0.002 Å
• c: 10.6741 ± 0.0007 Å
• α: 90°
• β: 95.694 ± 0.007°
• γ: 90°
• Cell volume: 2081.5 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No