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Information card for entry 2020911
Preview
| Coordinates | 2020911.cif |
|---|---|
| Structure factors | 2020911.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>fac</i>-Tricarbonyl[2-(quinolin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>'](4-vinylpyridine-κ<i>N</i>)rhenium(I) trifluoromethanesulfonate 0.28-hydrate |
|---|---|
| Formula | C27 H17 F3 N3 O6.28 Re S2 |
| Calculated formula | C27.001 H17 F3.003 N3 O6.282 Re S2.001 |
| Title of publication | Synthesis and structures of photoactive rhenium carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole, 2-(quinolin-2-yl)-1,3-benzothiazole and 1,10-phenanthroline |
| Authors of publication | Pinto, Miguel; Chakraborty, Indranil; Martinez-Gonzalez, Jorge; Mascharak, Pradip |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 11 |
| Pages of publication | 923 - 929 |
| a | 12.814 ± 0.003 Å |
| b | 12.088 ± 0.002 Å |
| c | 18.248 ± 0.004 Å |
| α | 90° |
| β | 96.56 ± 0.03° |
| γ | 90° |
| Cell volume | 2808 ± 1 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0598 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.1042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205310 (current) | 2018-01-17 | cif/ hkl/ Adding structures of 2020910, 2020911, 2020912 via cif-deposit CGI script. |
2020911.cif 2020911.hkl |
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Users of the data should acknowledge the original authors of the
structural data.