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Information card for entry 1546938
Preview
| Coordinates | 1546938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Potassium pyrroledithiocarbamate |
|---|---|
| Formula | C5 H4 K N S2 |
| Calculated formula | C5 H4 K N 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 | 13.41 ± 0.02 Å |
| b | 14.04 ± 0.02 Å |
| c | 8.042 ± 0.013 Å |
| α | 90° |
| β | 100.64 ± 0.03° |
| γ | 90° |
| Cell volume | 1488 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0983 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
| 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. |
1546938.cif |
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