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Information card for entry 1546939
Preview
| Coordinates | 1546939.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Potassium imidazoldithiocarbamate |
|---|---|
| Formula | C4 H3 K N2 S2 |
| Calculated formula | C4 H3 K N2 S2 |
| Title of publication | Uncaging Carbon Disulfide. Delivery Platforms for Potential Pharmacological Applications: A Mechanistic Approach. |
| Authors of publication | DeMartino, Anthony W.; Souza, Maykon Lima; Ford, Peter C. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 7.425 ± 0.006 Å |
| b | 8.392 ± 0.007 Å |
| c | 11.614 ± 0.009 Å |
| α | 78.314 ± 0.012° |
| β | 80.939 ± 0.015° |
| γ | 89.287 ± 0.017° |
| Cell volume | 699.7 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0973 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.1103 |
| Weighted residual factors for all reflections included in the refinement | 0.1182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.877 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200155 (current) | 2017-09-05 | cif/ Adding structures of 1546938, 1546939, 1546940 via cif-deposit CGI script. |
1546939.cif |
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Users of the data should acknowledge the original authors of the
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