Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036783
Preview
| Coordinates | 7036783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H21 Cl F6 N3 P Ru S Se |
|---|---|
| Calculated formula | C22 H21 Cl F6 N3 P Ru S Se |
| SMILES | [Ru]123456(Cl)([S](c7ccccc7)Cc7[n]1nn(c7)C[Se]c1ccccc1)[cH]1[cH]4[cH]2[cH]3[cH]5[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 | 10.7525 ± 0.0019 Å |
| b | 10.1007 ± 0.0018 Å |
| c | 24.622 ± 0.004 Å |
| α | 90° |
| β | 97.499 ± 0.003° |
| γ | 90° |
| Cell volume | 2651.3 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.0872 |
| Residual factor for significantly intense reflections | 0.0687 |
| Weighted residual factors for significantly intense reflections | 0.1498 |
| Weighted residual factors for all reflections included in the refinement | 0.1572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7036783.cif |
| 176428 | 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. |
7036783.cif |
| 171204 | 2015-12-09 | cif/ Updating files of 7036782, 7036783, 7036784, 7036785 Original log message: Adding full bibliography for 7036782--7036785.cif. |
7036783.cif |
| 160980 | 2015-10-08 | cif/ Adding structures of 7036782, 7036783, 7036784, 7036785 via cif-deposit CGI script. |
7036783.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.