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Information card for entry 4343956
Preview
| Coordinates | 4343956.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H34 Cl2 F6 N4 P2 Ru |
|---|---|
| Calculated formula | C36 H34 Cl2 F6 N4 P2 Ru |
| SMILES | c12ccccc1c1cccc[n]1[Ru]2([N]#CC)([N]#CC)([N]#CC)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Further Insight into the Lability of MeCN Ligands of Cytotoxic Cycloruthenated Compounds: Evidence for the Antisymbiotic Effect Trans to the Carbon Atom at the Ru Center. |
| Authors of publication | Barbosa, Ana Soraya Lima; Werlé, Christophe; Colunga, Claudia Olivia Oliva; Rodríguez, Cecilia Franco; Toscano, Ruben Alfredo; Le Lagadec, Ronan; Pfeffer, Michel |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 15 |
| Pages of publication | 7617 - 7626 |
| a | 8.9301 ± 0.0003 Å |
| b | 18.1083 ± 0.0006 Å |
| c | 25.6637 ± 0.0008 Å |
| α | 90° |
| β | 97.572 ± 0.001° |
| γ | 90° |
| Cell volume | 4113.9 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 152812 (current) | 2015-08-05 | cif/ Updating files of 4343953, 4343954, 4343955, 4343956, 4343957 Original log message: Adding full bibliography for 4343953--4343957.cif. |
4343956.cif |
| 152046 | 2015-07-15 | cif/ Adding structures of 4343953, 4343954, 4343955, 4343956, 4343957 via cif-deposit CGI script. |
4343956.cif |
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Users of the data should acknowledge the original authors of the
structural data.