Information card for entry 2312582

Structure parameters

• Common name: Tris(hexafluoroacetylacetonato)iron(III)
• Chemical name: Tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olato)iron(III)
• Formula: C15 H3 F18 Fe O6
• Calculated formula: C15 H3 F18 Fe O6
• Title of publication: Two polymorph modifications of tris(hexafluoroacetylacetonato)iron(III) revealed: is that common for other trivalent metals?
• Authors of publication: Chang, Joyce; Defeo, Julianna N.; Wei, Zheng; Dikarev, Evgeny V.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 9
• a: 18.1141 ± 0.0004 Å
• b: 18.1141 ± 0.0004 Å
• c: 11.7136 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3328.55 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.41329 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes