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Information card for entry 2202260
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| Coordinates | 2202260.cif |
|---|---|
| Structure factors | 2202260.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(pentachlorophenyl) disulfide |
|---|---|
| Formula | C12 Cl10 S2 |
| Calculated formula | C12 Cl10 S2 |
| SMILES | Clc1c(SSc2c(Cl)c(Cl)c(c(c2Cl)Cl)Cl)c(Cl)c(c(c1Cl)Cl)Cl |
| Title of publication | Bis(pentachlorophenyl) disulfide |
| Authors of publication | Deng, Shun-Liu; Long, La-Sheng; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 6 |
| Pages of publication | o843 - o844 |
| a | 15.188 ± 0.004 Å |
| b | 8.685 ± 0.003 Å |
| c | 14.645 ± 0.003 Å |
| α | 90° |
| β | 111.12 ± 0.01° |
| γ | 90° |
| Cell volume | 1802 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.045 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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