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Information card for entry 8105465
Preview
| Coordinates | 8105465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H20 Au O2 P S |
|---|---|
| Calculated formula | C13 H20 Au O2 P S |
| SMILES | [Au](Sc1c(cccc1)C(=O)O)[P](CC)(CC)CC |
| Title of publication | Crystal structure of [2-carboxybenzene-1-thiolato-S]-(triethylphosphane-P)-gold(I), C13H20AuO2PS |
| Authors of publication | Yeo, Chien Ing; Tiekink, Edward R.T. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 6 |
| Pages of publication | 1355 - 1358 |
| a | 7.7509 ± 0.0002 Å |
| b | 12.784 ± 0.0003 Å |
| c | 15.8689 ± 0.0004 Å |
| α | 89.087 ± 0.002° |
| β | 87.065 ± 0.002° |
| γ | 84.797 ± 0.002° |
| Cell volume | 1563.78 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0284 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.0795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276171 (current) | 2022-06-23 | cif/ Adding structures of 8105465 via cif-deposit CGI script. |
8105465.cif |
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Users of the data should acknowledge the original authors of the
structural data.