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Information card for entry 2312582
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Coordinates | 2312582.cif |
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Structure factors | 2312582.hkl |
Original IUCr paper | HTML |
Common name | Tris(hexafluoroacetylacetonato)iron(III) |
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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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