Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036782
Preview
| Coordinates | 7036782.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H21 Cl F6 N3 P Ru S2 |
|---|---|
| Calculated formula | C22 H21 Cl F6 N3 P Ru S2 |
| SMILES | [Ru]123456([S](c7ccccc7)Cc7[n]1nn(c7)CSc1ccccc1)(Cl)[cH]1[cH]5[cH]3[cH]4[cH]2[cH]61.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Complexes of (η(6)-benzene)ruthenium(ii) with 1,4-bis(phenylthio/seleno-methyl)-1,2,3-triazoles: synthesis, structure and applications in catalytic activation of oxidation and transfer hydrogenation. |
| Authors of publication | Saleem, Fariha; Rao, Gyandshwar K.; Kumar, Satyendra; Singh, Mahabir Pratap; Singh, Ajai K. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 44 |
| Pages of publication | 19141 - 19152 |
| a | 10.729 ± 0.003 Å |
| b | 10.019 ± 0.003 Å |
| c | 24.414 ± 0.007 Å |
| α | 90° |
| β | 96.518 ± 0.005° |
| γ | 90° |
| Cell volume | 2607.4 ± 1.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.1219 |
| Residual factor for significantly intense reflections | 0.0995 |
| Weighted residual factors for significantly intense reflections | 0.1646 |
| Weighted residual factors for all reflections included in the refinement | 0.1736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.241 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036782.cif |
| 171204 | 2015-12-09 | cif/ Updating files of 7036782, 7036783, 7036784, 7036785 Original log message: Adding full bibliography for 7036782--7036785.cif. |
7036782.cif |
| 160980 | 2015-10-08 | cif/ Adding structures of 7036782, 7036783, 7036784, 7036785 via cif-deposit CGI script. |
7036782.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.