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Information card for entry 1544284
Preview
| Coordinates | 1544284.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H22 Cl2 N5 O3.5 Ru |
|---|---|
| Calculated formula | C30 H22 Cl2 N5 O3.5 Ru |
| SMILES | [Ru]12(Cl)(Cl)([N]#CC)[n]3ccccc3c3[n]1c(cc(c3)c1cc3Cc4ccccc4c3cc1)c1[n]2cccc1.O=N(=O)[O-].O |
| 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 | 10.8118 ± 0.0012 Å |
| b | 11.8295 ± 0.0011 Å |
| c | 12.3991 ± 0.0014 Å |
| α | 103.956 ± 0.005° |
| β | 108.342 ± 0.005° |
| γ | 101.033 ± 0.005° |
| Cell volume | 1398 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0946 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.0934 |
| Weighted residual factors for all reflections included in the refinement | 0.1221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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 |
|---|---|---|---|
| 190277 (current) | 2017-01-09 | cif/ Updating files of 1544283, 1544284 Original log message: Adding full bibliography for 1544283--1544284.cif. |
1544284.cif |
| 187296 | 2016-10-12 | cif/ Adding structures of 1544283, 1544284 via cif-deposit CGI script. |
1544284.cif |
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Users of the data should acknowledge the original authors of the
structural data.