Information card for entry 2222892

Structure parameters

• Chemical name: Tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato]aluminium(III)‒ tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato]iron(III) (3/1)
• Formula: C96 H48 Al3 F36 Fe O24 S12
• Calculated formula: C96 H48 Al3 F36 Fe O24 S12
• Title of publication: Tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato]aluminium(III)‒tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato]iron(III) (3/1)
• Authors of publication: Schultz, Madeleine; Roa, Elnor C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m981
• a: 13.743 ± 0.003 Å
• b: 14.278 ± 0.002 Å
• c: 14.136 ± 0.003 Å
• α: 90°
• β: 94.013 ± 0.018°
• γ: 90°
• Cell volume: 2767 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.163
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes