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Information card for entry 2104219
Preview
| Coordinates | 2104219.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | bis-thiourea pyridinium iodide |
|---|---|
| Formula | C7 H14 I N5 S2 |
| Calculated formula | C7 H14 I N5 S2 |
| SMILES | [I-].S=C(N)N.S=C(N)N.c1c[nH+]ccc1 |
| Title of publication | Redetermination of the structure and dielectric properties of bis(thiourea) pyridinium iodide – a new ferroelectric inclusion compound |
| Authors of publication | Małuszyńska, H.; Czarnecki, P.; Fojud, Z.; Wasicki, J. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2008 |
| Journal volume | 64 |
| Journal issue | 5 |
| Pages of publication | 567 - 572 |
| a | 14.86 ± 0.001 Å |
| b | 11.291 ± 0.001 Å |
| c | 8.307 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1393.8 ± 0.4 Å3 |
| Cell temperature | 110 ± 0.2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P 21 c n |
| Hall space group symbol | P -2n 2a |
| Residual factor for all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.0647 |
| Weighted residual factors for all reflections included in the refinement | 0.075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.7103 Å |
| Diffraction radiation type | MoKαlpha |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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