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Information card for entry 2010342
Preview
| Coordinates | 2010342.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C14 H8 N4 S2 |
|---|---|
| Calculated formula | C14 H8 N4 S2 |
| SMILES | CSc1cc(=C(C#N)C#N)c(cc1=C(C#N)C#N)SC |
| Title of publication | 2,5-Bis(methylthio)-7,7',8,8'-tetracyanoquinodimethane |
| Authors of publication | Mizuguchi, J.; Zambounis, J.S.; Rihs, G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1994 |
| Journal volume | 50 |
| Journal issue | 12 |
| Pages of publication | 2004 - 2007 |
| a | 9.208 ± 0.001 Å |
| b | 5.391 ± 0.001 Å |
| c | 14.343 ± 0.002 Å |
| α | 90° |
| β | 106.8 ± 0.01° |
| γ | 90° |
| Cell volume | 681.6 ± 0.18 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.033 |
| Goodness-of-fit parameter for significantly intense reflections | 1.12 |
| Diffraction radiation wavelength | 0.70926 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.