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Information card for entry 2312582
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| Coordinates | 2312582.cif |
|---|---|
| Structure factors | 2312582.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 | 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294174 (current) | 2024-08-20 | cif/ hkl/ Adding structures of 2312581, 2312582 via cif-deposit CGI script. |
2312582.cif 2312582.hkl |
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