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Information card for entry 2202241
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| Coordinates | 2202241.cif |
|---|---|
| Structure factors | 2202241.hkl |
| Original IUCr paper | HTML |
| Formula | C10 H10 N4 O4 S2 |
|---|---|
| Calculated formula | C10 H10 N4 O4 S2 |
| SMILES | c1(c2csc(N)[nH+]2)csc(N)[nH+]1.C(=C\C(=O)[O-])/C(=O)[O-] |
| Title of publication | 2,2'-Diamino-4,4'-bi-1,3-thiazolium fumarate |
| Authors of publication | Jia-Geng Liu; Duan-Jun Xu; Wei-Lin Sun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 6 |
| Pages of publication | o812 - o813 |
| a | 5.2834 ± 0.0017 Å |
| b | 7.936 ± 0.003 Å |
| c | 14.37 ± 0.005 Å |
| α | 90° |
| β | 98.164 ± 0.006° |
| γ | 90° |
| Cell volume | 596.4 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.09 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.112 |
| Weighted residual factors for all reflections included in the refinement | 0.137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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