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Information card for entry 7713883
Preview
| Coordinates | 7713883.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H22 Al N3 O |
|---|---|
| Calculated formula | C16 H22 Al N3 O |
| SMILES | [Al]([O](CC)CC)(n1cccc1)(n1cccc1)n1cccc1 |
| Title of publication | Atom economic access to cationic magnesium complexes |
| Authors of publication | Brouillet, Etienne Volcan; Brown, Scott; Kennedy, Alan; Rae, Annabel; Walton, Heather; Robertson, Stuart Duncan |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 11.0633 ± 0.0014 Å |
| b | 7.7845 ± 0.001 Å |
| c | 19.436 ± 0.003 Å |
| α | 90° |
| β | 101.884 ± 0.012° |
| γ | 90° |
| Cell volume | 1638 ± 0.4 Å3 |
| Cell temperature | 138 ± 2 K |
| Ambient diffraction temperature | 138 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1004 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1009 |
| Weighted residual factors for all reflections included in the refinement | 0.1198 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285958 (current) | 2023-09-02 | cif/ Adding structures of 7713882, 7713883, 7713884, 7713885, 7713886, 7713887, 7713888, 7713889 via cif-deposit CGI script. |
7713883.cif |
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