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Information card for entry 7228524
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| Coordinates | 7228524.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Grey selenium |
|---|---|
| Chemical name | Selenium |
| Formula | Se |
| Calculated formula | Se |
| SMILES | [Se] |
| Title of publication | High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls |
| Authors of publication | Boeré, René; Hill, Nathan D. D. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 4.3125 ± 0.0003 Å |
| b | 4.3125 ± 0.0003 Å |
| c | 4.9711 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 80.065 ± 0.01 Å3 |
| Cell temperature | 99.99 ± 0.14 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 1 |
| Space group number | 152 |
| Hermann-Mauguin space group symbol | P 31 2 1 |
| Hall space group symbol | P 31 2" |
| Residual factor for all reflections | 0.0409 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.109 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.381 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198021 (current) | 2017-06-21 | cif/ Adding structures of 7228524, 7228525, 7228526, 7228527 via cif-deposit CGI script. |
7228524.cif |
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Users of the data should acknowledge the original authors of the
structural data.