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Information card for entry 1520270
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| Coordinates | 1520270.cif |
|---|
| Formula | C26 H12 S8 |
|---|---|
| Calculated formula | C26 H12 S8 |
| Title of publication | C26H12S8 |
| Authors of publication | Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2008 |
| Pages of publication | 412 |
| a | 3.9246 ± 0.0001 Å |
| b | 16.0687 ± 0.0005 Å |
| c | 17.4699 ± 0.0004 Å |
| α | 90° |
| β | 90.825 ± 0.002° |
| γ | 90° |
| Cell volume | 1101.59 ± 0.05 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0464 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.0924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520270.cif |
| 137900 | 2015-06-04 | cif/ Adding structures of 1520270 via cif-deposit CGI script. |
1520270.cif |
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Users of the data should acknowledge the original authors of the
structural data.