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Information card for entry 2243837
Preview
| Coordinates | 2243837.cif |
|---|---|
| Structure factors | 2243837.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-Methylene-bis[dibromido(diethyl ether-κ<i>O</i>)aluminium(III)] |
|---|---|
| Formula | C9 H22 Al2 Br4 O2 |
| Calculated formula | C9 H22 Al2 Br4 O2 |
| SMILES | [Al](C[Al]([O](CC)CC)(Br)Br)([O](CC)CC)(Br)Br |
| Title of publication | μ-Methylene-bis[dibromido(diethyl ether-κ<i>O</i>)aluminium(III)]: crystal structure and chemical exchange in solution |
| Authors of publication | Butcher, Ray J.; Purdy, Andrew P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 6 |
| Pages of publication | 647 - 652 |
| a | 8.3872 ± 0.0006 Å |
| b | 12.1039 ± 0.0006 Å |
| c | 18.1504 ± 0.0012 Å |
| α | 90° |
| β | 95.646 ± 0.003° |
| γ | 90° |
| Cell volume | 1833.7 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0723 |
| Weighted residual factors for all reflections included in the refinement | 0.0759 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265452 (current) | 2021-05-22 | cif/ hkl/ Adding structures of 2243837 via cif-deposit CGI script. |
2243837.cif 2243837.hkl |
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Users of the data should acknowledge the original authors of the
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