Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4065323
Preview
Coordinates | 4065323.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H27 Cl N6 O3 Ru S |
---|---|
Calculated formula | C22 H27 Cl N6 O3 Ru S |
SMILES | c1ccn2[n]1[Ru]134567([c]8(C)[c]6([c]1(C)[c]5([c]3([c]78C)C)C)C)[n]1cccn1C2(S(=O)(=O)[O-])n1ccc[n]41.[Cl-] |
Title of publication | Ruthenium(II) Arene Complexes Bearing Tris(pyrazolyl)methanesulfonate Capping Ligands. Electrochemistry, Spectroscopic, and X-ray Structural Characterization |
Authors of publication | Marchetti, Fabio; Pettinari, Claudio; Pettinari, Riccardo; Cerquetella, Adele; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Silva, Telma F. S.; Pombeiro, Armando J. L. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 22 |
Pages of publication | 6180 |
a | 12.115 Å |
b | 12.115 Å |
c | 10.3377 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1314.02 ± 0.11 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 164 |
Hermann-Mauguin space group symbol | P -3 m 1 |
Hall space group symbol | -P 3 2" |
Residual factor for all reflections | 0.0583 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1278 |
Weighted residual factors for all reflections included in the refinement | 0.1315 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 0.71069 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/4065323.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.