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Information card for entry 2020957
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| Coordinates | 2020957.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Lithium bromide dihydrate |
|---|---|
| Formula | Br H4 Li O2 |
| Calculated formula | Br H4 Li O2 |
| SMILES | O.O.[Br-].[Li+] |
| 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 | 5.3001 ± 0.0011 Å |
| b | 6.397 ± 0.0019 Å |
| c | 6.406 ± 0.0015 Å |
| α | 63.694 ± 0.01° |
| β | 82.044 ± 0.007° |
| γ | 65.567 ± 0.005° |
| Cell volume | 177 ± 0.08 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.0968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| 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. |
2020957.cif |
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Users of the data should acknowledge the original authors of the
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