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Information card for entry 2005526
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| Coordinates | 2005526.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C12 H6 Cl4 |
|---|---|
| Calculated formula | C12 H6 Cl4 |
| SMILES | Clc1ccc(cc1c1cc(Cl)ccc1Cl)Cl |
| Title of publication | 2,2',5,5'-Tetrachlorobiphenyl (PCB 52) |
| Authors of publication | Miao, X.-S.; Chu, S.-G.; Xu, X.-B.; Jin, X.-L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 10 |
| Pages of publication | 2582 - 2583 |
| a | 12.909 ± 0.003 Å |
| b | 8.174 ± 0.002 Å |
| c | 11.302 ± 0.002 Å |
| α | 90° |
| β | 94.82 ± 0.03° |
| γ | 90° |
| Cell volume | 1188.3 ± 0.5 Å3 |
| Cell temperature | 296 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 significantly intense reflections | 0.077 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Goodness-of-fit parameter for significantly intense reflections | 0.97 |
| Diffraction radiation wavelength | 0.71073 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.