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Information card for entry 2202334
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| Coordinates | 2202334.cif |
|---|---|
| Structure factors | 2202334.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,4-dimethylpiperazinium tetrathiotungstate(VI) |
|---|---|
| Formula | C6 H16 N2 S4 W |
| Calculated formula | C6 H16 N2 S4 W |
| SMILES | C1C[NH+](CC[NH+]1C)C.S=[W](=S)([S-])[S-] |
| Title of publication | 1,4-Dimethylpiperazinium tetrathiotungstate(VI) |
| Authors of publication | Srinivasan, Bikshandarkoil R.; Dhuri, Sunder N.; Näther, Christian; Bensch, Wolfgang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 8 |
| Pages of publication | m681 - m683 |
| a | 13.3792 ± 0.0011 Å |
| b | 12.6369 ± 0.0007 Å |
| c | 14.9381 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2525.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0309 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.0632 |
| Weighted residual factors for all reflections included in the refinement | 0.0668 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 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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