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Information card for entry 2241088
Preview
| Coordinates | 2241088.cif |
|---|---|
| Structure factors | 2241088.hkl |
| Original IUCr paper | HTML |
| Chemical name | {2-[(Diethylamino)methyl]indol-1-yl-κ^2^<i>N</i>,<i>N</i>'}dimethylaluminium |
|---|---|
| Formula | C15 H23 Al N2 |
| Calculated formula | C15 H23 Al N2 |
| SMILES | [Al]1(n2c(C[N]1(CC)CC)cc1ccccc21)(C)C |
| Title of publication | Synthesis, characterization and crystal structure of a 2-(diethylaminomethyl)indole ligated dimethylaluminium complex |
| Authors of publication | Shephard, Logan E.; Kingsley, Nicholas B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | 1222 - 1225 |
| a | 9.7467 ± 0.0005 Å |
| b | 14.1245 ± 0.0007 Å |
| c | 10.9866 ± 0.0005 Å |
| α | 90° |
| β | 94.206 ± 0.001° |
| γ | 90° |
| Cell volume | 1508.42 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0248 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0678 |
| Weighted residual factors for all reflections included in the refinement | 0.0682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241088.cif 2241088.hkl |
| 158342 | 2015-09-26 | cif/ hkl/ Adding structures of 2241088 via cif-deposit CGI script. |
2241088.cif 2241088.hkl |
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Users of the data should acknowledge the original authors of the
structural data.