Information card for entry 7063449

Structure parameters

• Formula: C18 H22 Fe N5 O5
• Calculated formula: C18 H22 Fe N5 O5
• 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; Hochdörffer, Tim; Schünemann, Volker; Kuchár, Juraj; Černák, Juraj; Anson, Christopher E.; Thomas, Madhu; Powell, Annie K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 40
• Pages of publication: 17616 - 17622
• a: 9.5094 ± 0.0004 Å
• b: 9.7005 ± 0.0004 Å
• c: 10.5055 ± 0.0005 Å
• α: 90.837 ± 0.003°
• β: 92.565 ± 0.003°
• γ: 97.079 ± 0.003°
• Cell volume: 960.54 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No