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Information card for entry 4349916
Preview
| Coordinates | 4349916.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C47 H44 F6 N3 O4 P3 Ru |
|---|---|
| Calculated formula | C47 H44 F6 N3 O4 P3 Ru |
| Title of publication | Esterification of the free carboxylic group from the lutidinic acid ligand as a tool to improve the cytotoxicity of Ru(ii) complexes |
| Authors of publication | Honorato, João; Colina-Vegas, Legna; Correa, Rodrigo S.; Guedes, Adriana P. M.; Miyata, Marcelo; Pavan, Fernando R.; Ellena, Javier; Batista, Alzir A. |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 2 |
| Pages of publication | 376 |
| a | 13.5183 ± 0.0004 Å |
| b | 12.8666 ± 0.0003 Å |
| c | 28.1285 ± 0.0007 Å |
| α | 90° |
| β | 100.746 ± 0.003° |
| γ | 90° |
| Cell volume | 4806.7 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 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 | 0.0782 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1385 |
| Weighted residual factors for all reflections included in the refinement | 0.1617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4349916.cif |
| 236943 | 2019-11-24 | cif/ Adding structures of 4349915, 4349916 via cif-deposit CGI script. |
4349916.cif |
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Users of the data should acknowledge the original authors of the
structural data.