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Information card for entry 7238892
Preview
| Coordinates | 7238892.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H15 Cl2 N7 S4 Zn |
|---|---|
| Calculated formula | C20 H15 Cl2 N7 S4 Zn |
| Title of publication | Tetrathiafulvalene-s-tetrazine: versatile platform for donor‒acceptor systems and multifunctional ligands |
| Authors of publication | Pop, Flavia; Ding, Jie; Daku, Latévi Max Lawson; Hauser, Andreas; Avarvari, Narcis |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 10 |
| Pages of publication | 3218 |
| a | 8.7852 ± 0.0017 Å |
| b | 9.2555 ± 0.0014 Å |
| c | 16.386 ± 0.004 Å |
| α | 74.976 ± 0.017° |
| β | 88.387 ± 0.014° |
| γ | 72.238 ± 0.014° |
| Cell volume | 1223.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0952 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244449 (current) | 2019-11-28 | cif/ Adding structures of 7238891, 7238892 via cif-deposit CGI script. |
7238892.cif |
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Users of the data should acknowledge the original authors of the
structural data.