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Information card for entry 2003352
Preview
| Coordinates | 2003352.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C8 H16 I2 S4 |
|---|---|
| Calculated formula | C8 H12 I2 S4 |
| Title of publication | Preparation and Structural Characterization of the Charge-Transfer Complex (12[ane]S~4~.I~2~)~{∞~} (12[ane]S~4~ = 1,4,7,10-Tetrathiacyclododecane) |
| Authors of publication | Baker, P. K.; Harris, S. D.; Durrant, M. C.; Hughes, D. L.; Richards, R. L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 4 |
| Pages of publication | 697 - 700 |
| a | 9.475 ± 0.001 Å |
| b | 8.57 ± 0.001 Å |
| c | 9.194 ± 0.001 Å |
| α | 90° |
| β | 97.43 ± 0.009° |
| γ | 90° |
| Cell volume | 740.29 ± 0.14 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Goodness-of-fit parameter for significantly intense reflections | 0.66 |
| Diffraction radiation wavelength | 0.71069 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.