Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2022972
Preview
| Coordinates | 2022972.cif |
|---|---|
| Structure factors | 2022972.hkl |
| Original IUCr paper | HTML |
| Chemical name | [Bis(<i>tert</i>-butyl)(propan-2-yl)tripropylphosphane sulfide-κ<i>S</i>]bromidogold |
|---|---|
| Formula | C11 H25 Au Br P S |
| Calculated formula | C11 H25 Au Br P S |
| SMILES | [Au](Br)[S]=P(C(C)(C)C)(C(C)(C)C)C(C)C |
| Title of publication | Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide. |
| Authors of publication | Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 1 |
| Pages of publication | 34 - 49 |
| a | 27.3157 ± 0.001 Å |
| b | 8.16931 ± 0.00013 Å |
| c | 18.8362 ± 0.0007 Å |
| α | 90° |
| β | 132.187 ± 0.007° |
| γ | 90° |
| Cell volume | 3114.5 ± 0.4 Å3 |
| Cell temperature | 101 ± 2 K |
| Ambient diffraction temperature | 101 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0182 |
| Residual factor for significantly intense reflections | 0.0153 |
| Weighted residual factors for significantly intense reflections | 0.0311 |
| Weighted residual factors for all reflections included in the refinement | 0.032 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289690 (current) | 2024-02-05 | cif/ Updating files of 2022965, 2022966, 2022967, 2022968, 2022969, 2022970, 2022971, 2022972, 2022973, 2022974, 2022975, 2022976, 2022977, 2022978, 2022979, 2022980 Original log message: Adding full bibliography for 2022965--2022980.cif. |
2022972.cif 2022972.hkl |
| 288434 | 2023-12-20 | cif/ hkl/ Adding structures of 2022965, 2022966, 2022967, 2022968, 2022969, 2022970, 2022971, 2022972, 2022973, 2022974, 2022975, 2022976, 2022977, 2022978, 2022979, 2022980 via cif-deposit CGI script. |
2022972.cif 2022972.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.