Information card for entry 2105914
| Formula |
C6 H12 Br2 Pt S3 |
| Calculated formula |
C6 H12 Br2 Pt S3 |
| SMILES |
C1[S]2CC[S]([Pt]2(Br)Br)CCSC1 |
| Title of publication |
High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes |
| Authors of publication |
Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin |
| Journal of publication |
Acta Crystallographica Section B |
| Year of publication |
2014 |
| Journal volume |
70 |
| Journal issue |
3 |
| Pages of publication |
469 - 486 |
| a |
6.8955 ± 0.0014 Å |
| b |
11.072 ± 0.003 Å |
| c |
11.9 ± 0.04 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
909 ± 3 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Cell measurement pressure |
8260000 kPa |
| Number of distinct elements |
5 |
| Space group number |
19 |
| Hermann-Mauguin space group symbol |
P 21 21 21 |
| Hall space group symbol |
P 2ac 2ab |
| Residual factor for all reflections |
0.0329 |
| Residual factor for significantly intense reflections |
0.0306 |
| Weighted residual factors for significantly intense reflections |
0.0564 |
| Weighted residual factors for all reflections included in the refinement |
0.0575 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.04 |
| Diffraction radiation wavelength |
0.6889 Å |
| Diffraction radiation type |
synchrotron |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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