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Information card for entry 2021788
Preview
| Coordinates | 2021788.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Phenylselenium trichloride |
|---|---|
| Formula | C6 H5 Cl3 Se |
| Calculated formula | C6 H5 Cl3 Se |
| Title of publication | A new polymorph of phenylselenium trichloride |
| Authors of publication | Bloomfield, Hannah R.; Ritch, Jamie S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 11 |
| a | 8.6245 ± 0.0003 Å |
| b | 9.5342 ± 0.0004 Å |
| c | 11.7229 ± 0.0005 Å |
| α | 78.332 ± 0.002° |
| β | 77.789 ± 0.002° |
| γ | 66.341 ± 0.002° |
| Cell volume | 855.5 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0484 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0466 |
| Weighted residual factors for all reflections included in the refinement | 0.0507 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219111 (current) | 2019-10-05 | cif/ Adding structures of 2021788 via cif-deposit CGI script. |
2021788.cif |
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Users of the data should acknowledge the original authors of the
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