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Information card for entry 1557154
Preview
| Coordinates | 1557154.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Al2 Br6 |
|---|---|
| Calculated formula | Al2 Br6 |
| SMILES | [Br]1[Al]([Br][Al]1(Br)Br)(Br)Br |
| Title of publication | Redetermination of the Crystal Structure of Al2Br6. A Comparison of Three Methods |
| Authors of publication | Berg, Rolf Willestofte; Poulsen, Finn Willy; Nielsen, Kurt |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1997 |
| Journal volume | 51 |
| Pages of publication | 442 - 448 |
| a | 10.301 ± 0.004 Å |
| b | 7.095 ± 0.002 Å |
| c | 7.525 ± 0.003 Å |
| α | 90° |
| β | 96.45 ± 0.03° |
| γ | 90° |
| Cell volume | 546.5 ± 0.3 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0746 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for all reflections included in the refinement | 0.1066 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247253 (current) | 2020-01-27 | cif/ Adding structures of 1557154 via cif-deposit CGI script. |
1557154.cif |
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