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Information card for entry 2022912
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| Coordinates | 2022912.cif |
|---|---|
| Structure factors | 2022912.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(piperidinium) tetrachloridoaurate(III) chloride |
|---|---|
| Formula | C10 H24 Au Cl5 N2 |
| Calculated formula | C10 H24 Au Cl5 N2 |
| SMILES | [Au](Cl)(Cl)(Cl)[Cl-].[Cl-].[NH2+]1CCCCC1.[NH2+]1CCCCC1 |
| Title of publication | Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations. |
| Authors of publication | Döring, Cindy; Jones, Peter G. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 11 |
| Pages of publication | 1017 - 1027 |
| a | 19.4014 ± 0.0015 Å |
| b | 9.7612 ± 0.0006 Å |
| c | 19.1922 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3634.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 45 |
| Hermann-Mauguin space group symbol | I b a 2 |
| Hall space group symbol | I 2 -2c |
| Residual factor for all reflections | 0.0864 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.0572 |
| Weighted residual factors for all reflections included in the refinement | 0.0674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288153 (current) | 2023-12-07 | cif/ Updating files of 2022910, 2022911, 2022912, 2022913, 2022914 Original log message: Adding full bibliography for 2022910--2022914.cif. |
2022912.cif 2022912.hkl |
| 286892 | 2023-10-11 | cif/ hkl/ Adding structures of 2022910, 2022911, 2022912, 2022913, 2022914 via cif-deposit CGI script. |
2022912.cif 2022912.hkl |
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Users of the data should acknowledge the original authors of the
structural data.