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Information card for entry 1557209
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| Coordinates | 1557209.cif |
|---|---|
| Structure factors | 1557209.hkl |
| Original IUCr paper | HTML |
| Common name | Caesium tetrafluoridobromate(III) |
|---|---|
| Chemical name | Caesium tetrafluoridobromate(III) |
| Formula | Br Cs F4 |
| Calculated formula | Br Cs F4 |
| SMILES | [F-][Br](F)(F)F.[Cs+] |
| Title of publication | Redetermination of the crystal structure of caesium tetrafluoridobromate(III) from single-crystal X-ray diffraction data |
| Authors of publication | Malin, Artem V.; Ivlev, Sergei I.; Ostvald, Roman V.; Kraus, Florian |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 1 |
| Pages of publication | x200114 |
| a | 5.5075 ± 0.0003 Å |
| b | 6.789 ± 0.0003 Å |
| c | 12.2572 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 458.3 ± 0.04 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 71 |
| Hermann-Mauguin space group symbol | I m m m |
| Hall space group symbol | -I 2 2 |
| Residual factor for all reflections | 0.0151 |
| Residual factor for significantly intense reflections | 0.0119 |
| Weighted residual factors for significantly intense reflections | 0.0212 |
| Weighted residual factors for all reflections included in the refinement | 0.0217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247896 (current) | 2020-02-05 | cif/ Updating files of 1557209 Original log message: Adding full bibliography for 1557209.cif. |
1557209.cif 1557209.hkl |
| 247445 | 2020-02-01 | cif/ hkl/ Adding structures of 1557209 via cif-deposit CGI script. |
1557209.cif 1557209.hkl |
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Users of the data should acknowledge the original authors of the
structural data.