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Information card for entry 7045428
Preview
| Coordinates | 7045428.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H42 F24 N12 P4 Ru2 |
|---|---|
| Calculated formula | C60 H42 F24 N12 P4 Ru2 |
| SMILES | [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[n]12[Ru]345([n]6c(cccc6c6[n]5cccc6)c5[n]4cccc5)[n]4c(c1c1[n]5[Ru]67([n]8c1cccc8)([n]1c(c5c2c2cccc[n]32)cccc1)[n]1c(cc(cc1c1[n]7cccc1)c1ccccc1)c1[n]6cccc1)cccc4.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Stepwise synthesis, characterization, DNA binding properties and cytotoxicity of diruthenium oligopyridine compounds conjugated with peptides. |
| Authors of publication | Ypsilantis, Konstantinos; Plakatouras, John C.; Manos, Manolis J.; Kourtellaris, Andreas; Markopoulos, Georgios; Kolettas, Evangelos; Garoufis, Achilleas |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 10 |
| Pages of publication | 3549 - 3567 |
| a | 14.9492 ± 0.0014 Å |
| b | 33.781 ± 0.003 Å |
| c | 15.9327 ± 0.0011 Å |
| α | 90° |
| β | 97.18 ± 0.008° |
| γ | 90° |
| Cell volume | 7982.9 ± 1.2 Å3 |
| Cell temperature | 100.3 ± 0.3 K |
| Ambient diffraction temperature | 100.3 ± 0.3 K |
| Number of distinct elements | 6 |
| 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 | 0.1311 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.1637 |
| Weighted residual factors for all reflections included in the refinement | 0.1868 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7045428.cif |
| 229253 | 2019-11-17 | cif/ Updating files of 7045428, 7045429, 7045430 Original log message: Adding full bibliography for 7045428--7045430.cif. |
7045428.cif |
| 205860 | 2018-01-30 | cif/ Adding structures of 7045428, 7045429, 7045430 via cif-deposit CGI script. |
7045428.cif |
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Users of the data should acknowledge the original authors of the
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