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Information card for entry 2018902
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| Coordinates | 2018902.cif |
|---|---|
| Structure factors | 2018902.hkl |
| Original IUCr paper | HTML |
| Common name | (±)-amphetamine gold(III) dichloride |
|---|---|
| Chemical name | [<i>D</i>,<i>L</i>-2-(2-Aminopropyl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]dichloridogold(III) |
| Formula | C9 H12 Au Cl2 N |
| Calculated formula | C9 H12 Au Cl2 N |
| SMILES | [Au]1(Cl)(Cl)[NH2]C(Cc2c1cccc2)C |
| Title of publication | Understanding the microcrystal tests of three related phenethylamines: the <i>ortho</i>-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine |
| Authors of publication | Wood, Matthew R.; Lalancette, Roger A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | 388 - 393 |
| a | 9.1323 ± 0.0002 Å |
| b | 8.9812 ± 0.0002 Å |
| c | 27.1824 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2229.47 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.042 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.102 |
| Weighted residual factors for all reflections included in the refinement | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180858 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/89. |
2018902.cif 2018902.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018902.cif 2018902.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2018902.cif 2018902.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018902.cif 2018902.hkl |
| 85345 | 2013-05-07 | cif/ Adding structures of 2018902, 2018903, 2018904 via cif-deposit CGI script. |
2018902.cif |
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Users of the data should acknowledge the original authors of the
structural data.