Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015658
Preview
Coordinates | 7015658.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H26 Cl F3 N4 O4 Ru S4 |
---|---|
Calculated formula | C21 H24 Cl F3 N4 O4 Ru S4 |
SMILES | [Ru]123([S]4CC[S]1CC[S]2CC4)(Cl)[n]1ccccc1Cn1[n]3nc(c1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.O |
Title of publication | 1-(2-Picolyl)-substituted 1,2,3-triazole as novel chelating ligand for the preparation of ruthenium complexes with potential anticancer activity. |
Authors of publication | Bratsos, Ioannis; Urankar, Damijana; Zangrando, Ennio; Genova-Kalou, Petia; Košmrlj, Janez; Alessio, Enzo; Turel, Iztok |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 19 |
Pages of publication | 5188 - 5199 |
a | 8.276 ± 0.003 Å |
b | 13.69 ± 0.004 Å |
c | 14.262 ± 0.004 Å |
α | 86.21 ± 0.03° |
β | 73.46 ± 0.02° |
γ | 71.34 ± 0.02° |
Cell volume | 1467 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0964 |
Residual factor for significantly intense reflections | 0.0598 |
Weighted residual factors for significantly intense reflections | 0.1655 |
Weighted residual factors for all reflections included in the refinement | 0.184 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.86 |
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/7015658.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.