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Information card for entry 2023012
Preview
| Coordinates | 2023012.cif |
|---|---|
| Structure factors | 2023012.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(4-methylpiperidine-κ<i>N</i>)gold(I) chloride |
|---|---|
| Formula | C12 H26 Au Cl N2 |
| Calculated formula | C12 H26 Au Cl N2 |
| SMILES | [Au]([NH]1CCC(CC1)C)[NH]1CCC(CC1)C.[Cl-] |
| Title of publication | Crystal structures of five gold(I) complexes with methyl-piperidine ligands. |
| Authors of publication | Döring, Cindy; Jones, Peter G. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 2 |
| Pages of publication | 157 - 165 |
| a | 6.4068 ± 0.0003 Å |
| b | 25.2542 ± 0.0015 Å |
| c | 9.3395 ± 0.0004 Å |
| α | 90° |
| β | 103.946 ± 0.004° |
| γ | 90° |
| Cell volume | 1466.58 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0462 |
| Weighted residual factors for all reflections included in the refinement | 0.0482 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290331 (current) | 2024-03-05 | cif/ Updating files of 2023012, 2023013, 2023014, 2023015, 2023016 Original log message: Adding full bibliography for 2023012--2023016.cif. |
2023012.cif 2023012.hkl |
| 289169 | 2024-01-20 | cif/ hkl/ Adding structures of 2023012, 2023013, 2023014, 2023015, 2023016 via cif-deposit CGI script. |
2023012.cif 2023012.hkl |
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Users of the data should acknowledge the original authors of the
structural data.