Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2020912
Preview
| Coordinates | 2020912.cif |
|---|---|
| Structure factors | 2020912.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>fac</i>-Tricarbonyl[1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>'](4-vinylpyridine-κ<i>N</i>)rhenium(I) trifluoromethanesulfonate |
|---|---|
| Formula | C23 H15 F3 N3 O6 Re S |
| Calculated formula | C23 H15 F3 N3 O6 Re S |
| 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 | 12.398 ± 0.002 Å |
| b | 12.878 ± 0.003 Å |
| c | 15.393 ± 0.003 Å |
| α | 90 ± 0.03° |
| β | 91.83 ± 0.03° |
| γ | 90 ± 0.03° |
| Cell volume | 2456.4 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0216 |
| Residual factor for significantly intense reflections | 0.0188 |
| Weighted residual factors for significantly intense reflections | 0.0447 |
| Weighted residual factors for all reflections included in the refinement | 0.046 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| 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. |
2020912.cif 2020912.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.