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Information card for entry 7238891
Preview
| Coordinates | 7238891.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H3 Cl N4 S4 |
|---|---|
| Calculated formula | C8 H3 Cl N4 S4 |
| 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 | 7.4751 ± 0.0011 Å |
| b | 22.522 ± 0.002 Å |
| c | 7.5169 ± 0.0009 Å |
| α | 90 ± 0.011° |
| β | 109.736 ± 0.009° |
| γ | 90 ± 0.012° |
| Cell volume | 1191.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1116 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Weighted residual factors for all reflections included in the refinement | 0.1026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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. |
7238891.cif |
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Users of the data should acknowledge the original authors of the
structural data.