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Information card for entry 2242357
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| Coordinates | 2242357.cif |
|---|---|
| Structure factors | 2242357.hkl |
| Original IUCr paper | HTML |
| Chemical name | Triaquatris(1,1,1-trifluoro-4-oxopentan-2-olato-κ^2^<i>O</i>,<i>O</i>')cerium(III) |
|---|---|
| Formula | C15 H18 Ce F9 O9 |
| Calculated formula | C15 H18 Ce F9 O9 |
| Title of publication | Structure of triaquatris(1,1,1-trifluoro-4-oxopentan-2-olato)cerium(III) as a possible fluorescent compound |
| Authors of publication | Koizumi, Atsuya; Hasegawa, Takuya; Itadani, Atsushi; Toda, Kenji; Zhu, Taoyun; Sato, Mineo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 2 |
| Pages of publication | 229 - 232 |
| a | 11.6347 ± 0.0007 Å |
| b | 16.5121 ± 0.0009 Å |
| c | 24.5577 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4717.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P c a b |
| Hall space group symbol | -P 2bc 2ac |
| Residual factor for all reflections | 0.0483 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.0922 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205878 (current) | 2018-01-30 | cif/ hkl/ Adding structures of 2242357 via cif-deposit CGI script. |
2242357.cif 2242357.hkl |
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Users of the data should acknowledge the original authors of the
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