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Information card for entry 2312581
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| Coordinates | 2312581.cif |
|---|---|
| Structure factors | 2312581.hkl |
| Original IUCr paper | HTML |
| 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 | 8.7659 ± 0.0002 Å |
| b | 12.9796 ± 0.0003 Å |
| c | 19.1759 ± 0.0005 Å |
| α | 90° |
| β | 91.632 ± 0.002° |
| γ | 90° |
| Cell volume | 2180.91 ± 0.09 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0368 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.078 |
| Weighted residual factors for all reflections included in the refinement | 0.0801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294174 (current) | 2024-08-20 | cif/ hkl/ Adding structures of 2312581, 2312582 via cif-deposit CGI script. |
2312581.cif 2312581.hkl |
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