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Information card for entry 1551918
Preview
| Coordinates | 1551918.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H22 Cl2 F12 N6 P2 Ru |
|---|---|
| Calculated formula | C32 H22 Cl2 F12 N6 P2 Ru |
| SMILES | [Ru]123([n]4ccc(Cl)c5ccc6c(Cl)cc[n]1c6c45)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Novel ruthenium(ii) and iridium(iii) BODIPY dyes: insights into their application in photodynamic therapy in vitro. |
| Authors of publication | Aksakal, Nuray Esra; Tanrıverdi Eçik, Esra; Kazan, Hasan Hüseyin; Yenilmez Çiftçi, Gönül; Yuksel, Fatma |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2019 |
| Journal volume | 18 |
| Journal issue | 8 |
| Pages of publication | 2012 - 2022 |
| a | 11.1241 ± 0.0012 Å |
| b | 20.936 ± 0.002 Å |
| c | 14.7692 ± 0.0019 Å |
| α | 90° |
| β | 94.332 ± 0.006° |
| γ | 90° |
| Cell volume | 3429.8 ± 0.7 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 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 | 0.1464 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1259 |
| Weighted residual factors for all reflections included in the refinement | 0.1622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551918.cif |
| 225318 | 2019-11-08 | cif/ Updating files of 1551917, 1551918 Original log message: Adding full bibliography for 1551917--1551918.cif. |
1551918.cif |
| 216637 | 2019-06-29 | cif/ Adding structures of 1551917, 1551918 via cif-deposit CGI script. |
1551918.cif |
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