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Information card for entry 1564220
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| Coordinates | 1564220.cif |
|---|---|
| Structure factors | 1564220.hkl |
| Original IUCr paper | HTML |
| Chemical name | Barium bis[tetrafluoridobromate(III)] |
|---|---|
| Formula | Ba Br2 F8 |
| Calculated formula | Ba Br2 F8 |
| SMILES | [Ba+2].[F-][Br](F)(F)F.[F-][Br](F)(F)F |
| Title of publication | Barium bis[tetrafluoridobromate(III)] |
| Authors of publication | Ivlev, Sergei I.; Kraus, Florian |
| Journal of publication | IUCrData |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 7 |
| Pages of publication | x210735 |
| a | 9.5823 ± 0.0006 Å |
| b | 9.5823 ± 0.0006 Å |
| c | 8.038 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 738.05 ± 0.12 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.0538 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1239 |
| Weighted residual factors for all reflections included in the refinement | 0.1268 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267671 (current) | 2021-07-21 | cif/ hkl/ Adding structures of 1564220 via cif-deposit CGI script. |
1564220.cif 1564220.hkl |
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Users of the data should acknowledge the original authors of the
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