Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2006346
Preview
| Coordinates | 2006346.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C17 H23 Cl2 N Ru |
|---|---|
| Calculated formula | C17 H23 Cl2 N Ru |
| SMILES | [Ru]12345(Cl)(Cl)([n]6ccccc6)[c]6([c]1([c]2([c]3([c]4([c]56C)C)C)C)C)C |
| Title of publication | Dichloro(η^6^-hexamethylbenzene)(pyridine-<i>N</i>)ruthenium |
| Authors of publication | Andrew J. Steedman; Anthony K. Burrell |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 7 |
| Pages of publication | 864 - 866 |
| a | 14.674 ± 0.006 Å |
| b | 16.365 ± 0.008 Å |
| c | 15.233 ± 0.006 Å |
| α | 90° |
| β | 111.39 ± 0.03° |
| γ | 90° |
| Cell volume | 3406 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0631 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for all reflections | 0.0949 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Goodness-of-fit parameter for all reflections | 1.049 |
| Goodness-of-fit parameter for significantly intense reflections | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2006346.html
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.