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Information card for entry 1519273
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| Coordinates | 1519273.cif |
|---|
| Formula | C13 H10 O S4 |
|---|---|
| Calculated formula | C13 H10 O S4 |
| Title of publication | C13H10OS4 |
| Authors of publication | Murphy, P. J.; Gelbrich, Thomas; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2000 |
| Pages of publication | 824 |
| a | 14.5002 ± 0.0003 Å |
| b | 13.4816 ± 0.0003 Å |
| c | 7.0091 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1370.18 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0426 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.1019 |
| Weighted residual factors for all reflections included in the refinement | 0.1049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519273.cif |
| 135615 | 2015-05-06 | cif/ Adding structures of 1519273 via cif-deposit CGI script. |
1519273.cif |
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Users of the data should acknowledge the original authors of the
structural data.