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Information card for entry 2020960
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| Coordinates | 2020960.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Lithium bromide trihydrate |
|---|---|
| Formula | Br H6 Li O3 |
| Calculated formula | Br H6 Li O3 |
| SMILES | Br[Li]12([OH2])([OH2])[Br][Li]([OH2]1)[OH2]2.O.O |
| Title of publication | Higher hydrates of lithium chloride, lithium bromide and lithium iodide |
| Authors of publication | Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 2 |
| a | 7.2785 ± 0.0017 Å |
| b | 11.088 ± 0.003 Å |
| c | 5.687 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 459 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0278 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0728 |
| Weighted residual factors for all reflections included in the refinement | 0.073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205533 (current) | 2018-01-24 | cif/ hkl/ Adding structures of 2020956, 2020957, 2020958, 2020959, 2020960, 2020961, 2020962, 2020963 via cif-deposit CGI script. |
2020960.cif |
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Users of the data should acknowledge the original authors of the
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