Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7122801
Preview
| Coordinates | 7122801.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H27 F3 N2 O4 Ru S |
|---|---|
| Calculated formula | C28 H27 F3 N2 O4 Ru S |
| Title of publication | New half-sandwich ruthenium(ii) complexes as proteosynthesis inhibitors in cancer cells. |
| Authors of publication | Ballester, Francisco J.; Ortega, Enrique; Porto, Vanesa; Kostrhunova, Hana; Davila-Ferreira, Nerea; Bautista, Delia; Brabec, Viktor; Domínguez, Fernando; Santana, M. Dolores; Ruiz, José |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2019 |
| a | 12.1052 ± 0.0016 Å |
| b | 16.953 ± 0.002 Å |
| c | 12.9887 ± 0.0017 Å |
| α | 90° |
| β | 92.587 ± 0.005° |
| γ | 90° |
| Cell volume | 2662.8 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0311 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0607 |
| Weighted residual factors for all reflections included in the refinement | 0.0617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213020 (current) | 2019-01-13 | cif/ Adding structures of 7122801, 7122802, 7122803, 7122804 via cif-deposit CGI script. |
7122801.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.