Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2023376
Preview
| Coordinates | 2023376.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Dichlorido(di-<i>tert</i>-butylisopropylphosphine sulfide-κ<i>S</i>)palladium(II) |
|---|---|
| Formula | C22 H50 Cl2 P2 Pt S2 |
| Calculated formula | C22 H50 Cl2 P2 Pt S2 |
| Title of publication | Crystal structures of six complexes of phosphane chalcogenides R 1 R 2 R 3PE (R = tert-butyl or isopropyl, E = S or Se) with the metal halides MX 2 (M = Pd or Pt, X = Cl or Br), two halochalcogenylphosphonium derivatives ( t Bu2 iPrPEBr)2[Pd2Br6] and one hydrolysis product |
| Authors of publication | Upmann, Daniel; Jones, Peter G. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 3 |
| a | 14.5283 ± 0.0003 Å |
| b | 14.4191 ± 0.0003 Å |
| c | 13.9428 ± 0.0004 Å |
| α | 90° |
| β | 94.571 ± 0.003° |
| γ | 90° |
| Cell volume | 2911.52 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for significantly intense reflections | 0.0473 |
| Weighted residual factors for all reflections included in the refinement | 0.0546 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297594 (current) | 2025-02-05 | cif/ Adding structures of 2023372, 2023373, 2023374, 2023375, 2023376, 2023377, 2023378, 2023379, 2023380 via cif-deposit CGI script. |
2023376.cif |
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.