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Information card for entry 7041113
Preview
| Coordinates | 7041113.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H46 Cl4 F6 N4 O6 P2 Ru S2 |
|---|---|
| Calculated formula | C52 H46 Cl4 F6 N4 O6 P2 Ru S2 |
| Title of publication | Heteroleptic mononuclear compounds of ruthenium(ii): synthesis, structural analyses, in vitro antitumor activity and in vivo toxicity on zebrafish embryos. |
| Authors of publication | Lenis-Rojas, O A; Fernandes, A. R.; Roma-Rodrigues, C; Baptista, P. V.; Marques, F.; Pérez-Fernández, D; Guerra-Varela, J; Sánchez, L; Vázquez-García, D; Torres, M López; Fernández, A; Fernández, J J |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 47 |
| Pages of publication | 19127 - 19140 |
| a | 43.348 ± 0.006 Å |
| b | 11.4878 ± 0.0013 Å |
| c | 22.26 ± 0.003 Å |
| α | 90° |
| β | 99.938 ± 0.016° |
| γ | 90° |
| Cell volume | 10919 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1287 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1258 |
| Weighted residual factors for all reflections included in the refinement | 0.161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7041113.cif |
| 190202 | 2017-01-09 | cif/ Updating files of 7041113, 7041114, 7041115, 7041116 Original log message: Adding full bibliography for 7041113--7041116.cif. |
7041113.cif |
| 188026 | 2016-11-08 | cif/ Adding structures of 7041113, 7041114, 7041115, 7041116 via cif-deposit CGI script. |
7041113.cif |
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Users of the data should acknowledge the original authors of the
structural data.