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Information card for entry 1544283
Preview
| Coordinates | 1544283.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H23.5 Cl2 F6 N5.5 O P Ru |
|---|---|
| Calculated formula | C31 H23.5 Cl2 F6 N5.5 O P Ru |
| SMILES | [Ru]12(Cl)(Cl)(N=O)[n]3ccccc3c3[n]1c(cc(c3)c1cc3Cc4ccccc4c3cc1)c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC |
| Title of publication | trans- and cis-(Cl,Cl)-[Ru(II)(FT)Cl2(NO)](PF6): promising candidates for NO release in the NIR region. |
| Authors of publication | Akl, Joelle; Sasaki, Isabelle; Lacroix, Pascal G.; Hugues, Vincent; Vicendo, Patricia; Bocé, Mathilde; Mallet-Ladeira, Sonia; Blanchard-Desce, Mireille; Malfant, Isabelle |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2016 |
| Journal volume | 15 |
| Journal issue | 12 |
| Pages of publication | 1484 - 1491 |
| a | 7.2084 ± 0.0006 Å |
| b | 11.366 ± 0.0009 Å |
| c | 20.0517 ± 0.0016 Å |
| α | 74.296 ± 0.003° |
| β | 80.187 ± 0.003° |
| γ | 87.543 ± 0.003° |
| Cell volume | 1558.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0509 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.0944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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 |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1544283.cif |
| 190277 | 2017-01-09 | cif/ Updating files of 1544283, 1544284 Original log message: Adding full bibliography for 1544283--1544284.cif. |
1544283.cif |
| 187296 | 2016-10-12 | cif/ Adding structures of 1544283, 1544284 via cif-deposit CGI script. |
1544283.cif |
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