Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4083296
Preview
Coordinates | 4083296.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H28 Cl F6 N4 P Ru |
---|---|
Calculated formula | C25 H28 Cl F6 N4 P Ru |
SMILES | [Ru]123456(Cl)([cH]7[c]1([cH]2[cH]5[c]4([cH]37)C)C(C)C)[n]1c(cccc1)C[n+]1nn(C)c(c2ccccc2)c61.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Exploring the Scope of Pyridyl- and Picolyl-Functionalized 1,2,3-Triazol-5-ylidenes in Bidentate Coordination to Ruthenium(II) Cymene Chloride Complexes |
Authors of publication | Bolje, Aljoša; Hohloch, Stephan; Urankar, Damijana; Pevec, Andrej; Gazvoda, Martin; Sarkar, Biprajit; Košmrlj, Janez |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 10 |
Pages of publication | 2588 |
a | 7.674 ± 0.005 Å |
b | 12.156 ± 0.005 Å |
c | 15.185 ± 0.005 Å |
α | 67.756 ± 0.005° |
β | 83.983 ± 0.005° |
γ | 86.125 ± 0.005° |
Cell volume | 1303.3 ± 1.1 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0695 |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for significantly intense reflections | 0.0934 |
Weighted residual factors for all reflections included in the refinement | 0.1082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/4083296.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.