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Information card for entry 4131996
Preview
| Coordinates | 4131996.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H6 N S2 |
|---|---|
| Calculated formula | C10 H6 N S2 |
| Title of publication | Magnetic Bistability in Naphtho-1,3,2-dithiazolyl: Solid State Interconversion of a Thiazyl π-Radical and Its N-N σ-Bonded Dimer. |
| Authors of publication | Bates, Demetris; Robertson, Craig M.; Leitch, Alicea A.; Dube, Paul A.; Oakley, Richard T. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 11 |
| Pages of publication | 3846 - 3849 |
| a | 9.431 ± 0.004 Å |
| b | 9.479 ± 0.004 Å |
| c | 10.55 ± 0.005 Å |
| α | 77.104 ± 0.011° |
| β | 86.491 ± 0.011° |
| γ | 75.335 ± 0.011° |
| Cell volume | 889.4 ± 0.7 Å3 |
| Cell temperature | 225 ± 2 K |
| Ambient diffraction temperature | 225 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1367 |
| Residual factor for significantly intense reflections | 0.0842 |
| Weighted residual factors for significantly intense reflections | 0.2197 |
| Weighted residual factors for all reflections included in the refinement | 0.2509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242038 (current) | 2019-11-25 | cif/ Adding structures of 4131996 via cif-deposit CGI script. |
4131996.cif |
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Users of the data should acknowledge the original authors of the
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