Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7707425
Preview
| Coordinates | 7707425.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Chloro-(η6-toluene)-(4,4'-dimethyl-2,2'-bipyridine )- rutenium(II) trifluoromethanesulfonate ' |
|---|---|
| Formula | C20 H20 Cl F3 N2 O3 Ru S |
| Calculated formula | C20 H20 Cl F3 N2 O3 Ru S |
| SMILES | [Ru]123456(Cl)([n]7ccc(cc7c7[n]1ccc(c7)C)C)[c]1([cH]2[cH]3[cH]4[cH]5[cH]61)C.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Half-sandwich organometallic Ru and Rh complexes of (N,N) donor compounds: effect of ligand methylation on solution speciation and anticancer activity. |
| Authors of publication | Mészáros, János P; Pape, Veronika F. S.; Szakács, Gergely; Németi, Gábor; Dénes, Márk; Holczbauer, Tamás; May, Nóra V; Enyedy, Éva A |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 23 |
| Pages of publication | 8218 - 8231 |
| a | 8.0457 ± 0.0009 Å |
| b | 12.5861 ± 0.0014 Å |
| c | 21.869 ± 0.002 Å |
| α | 90° |
| β | 90.33 ± 0.006° |
| γ | 90° |
| Cell volume | 2214.5 ± 0.4 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0565 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1076 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.186 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267188 (current) | 2021-07-05 | cif/ Updating files of 7707424, 7707425, 7707426, 7707427, 7707428, 7707429 Original log message: Adding full bibliography for 7707424--7707429.cif. |
7707425.cif |
| 265326 | 2021-05-19 | cif/ Adding structures of 7707424, 7707425, 7707426, 7707427, 7707428, 7707429 via cif-deposit CGI script. |
7707425.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.