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Information card for entry 4343953
Preview
| Coordinates | 4343953.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H39 F6 N4 O0.5 P2 Ru |
|---|---|
| Calculated formula | C43 H34 F6 N4 P2 Ru |
| SMILES | [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)(c3c(cccc3)c3[n]1cccc3)([n]1cccc3ccc4ccc[n]2c4c13)[N]#CC.[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 | 14.807 ± 0.002 Å |
| b | 14.232 ± 0.002 Å |
| c | 21.532 ± 0.003 Å |
| α | 90° |
| β | 106.085 ± 0.004° |
| γ | 90° |
| Cell volume | 4359.9 ± 1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1093 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4343953.cif |
| 152812 | 2015-08-05 | cif/ Updating files of 4343953, 4343954, 4343955, 4343956, 4343957 Original log message: Adding full bibliography for 4343953--4343957.cif. |
4343953.cif |
| 152046 | 2015-07-15 | cif/ Adding structures of 4343953, 4343954, 4343955, 4343956, 4343957 via cif-deposit CGI script. |
4343953.cif |
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Users of the data should acknowledge the original authors of the
structural data.