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Information card for entry 7108865
Preview
| Coordinates | 7108865.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H9 N4 S3 |
|---|---|
| Calculated formula | C13 H9 N4 S3 |
| SMILES | S1Sc2c(=N1)n(c1N=C([N]Sc1c2)c1ccccc1)C |
| Title of publication | Hybrid dithiazolothiadiazinyl radicals; versatile building blocks for magnetic and conductive materials |
| Authors of publication | Stephen M. Winter; Aidin R. Balo; Ryan J. Roberts; Kristina Lekin; Abdeljalil Assoud; Paul A. Dube; Richard T. Oakley |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 16 |
| Pages of publication | 1603 - 1605 |
| a | 6.9154 ± 0.0015 Å |
| b | 9.5271 ± 0.0019 Å |
| c | 10.1385 ± 0.0017 Å |
| α | 86.286 ± 0.013° |
| β | 89.883 ± 0.014° |
| γ | 78.867 ± 0.014° |
| Cell volume | 654 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1243 |
| Residual factor for significantly intense reflections | 0.0712 |
| Weighted residual factors for significantly intense reflections | 0.1325 |
| Weighted residual factors for all reflections included in the refinement | 0.1422 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.619 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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