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Information card for entry 4000287
Preview
| Coordinates | 4000287.cif |
|---|
| Formula | C7 H4 I1.27 S2 Se4 |
|---|---|
| Calculated formula | C7 H4 I1.28 S2 Se4 |
| SMILES | C1=C[Se]C(=C2[Se]C3=C(SCS3)[Se]2)[Se]1.I[I-]I |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2003 |
| a | 4.013 ± 0.004 Å |
| b | 12.539 ± 0.002 Å |
| c | 25.62 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1289 ± 1 Å3 |
| Cell temperature | 296.2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for all reflections included in the refinement | 0.0506 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.372 |
| Diffraction radiation wavelength | 0.7107 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.