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Information card for entry 1550472
Preview
| Coordinates | 1550472.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H44 Al2 Br2 |
|---|---|
| Calculated formula | C27 H44 Al2 Br2 |
| SMILES | Br[Al](Br)([Al]1234[cH]5[c]1([cH]2[c]3([c]45C(C)(C)C)C(C)(C)C)C(C)(C)C)C1(C(=C(C(=C1C)C)C)C)C |
| Title of publication | Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism |
| Authors of publication | Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 8.824 ± 0.003 Å |
| b | 29.234 ± 0.006 Å |
| c | 12.125 ± 0.003 Å |
| α | 90° |
| β | 108.8 ± 0.02° |
| γ | 90° |
| Cell volume | 2960.9 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0711 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0619 |
| Weighted residual factors for all reflections included in the refinement | 0.07 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213055 (current) | 2019-01-15 | cif/ Adding structures of 1550470, 1550471, 1550472, 1550473, 1550474, 1550475, 1550476, 1550477, 1550478 via cif-deposit CGI script. |
1550472.cif |
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Users of the data should acknowledge the original authors of the
structural data.