Information card for entry 7063447

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: 7.5938 ± 0.0002 Å
• b: 25.7733 ± 0.0009 Å
• c: 10.7174 ± 0.0004 Å
• α: 90°
• β: 95.79 ± 0.002°
• γ: 90°
• Cell volume: 2086.88 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No