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Information card for entry 7059649
Preview
| Coordinates | 7059649.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H12 N4 O2 S |
|---|---|
| Calculated formula | C14 H12 N4 O2 S |
| Title of publication | New silver (thio)semicarbazide derivatives: synthesis, structural features, and antimicrobial activity |
| Authors of publication | Fernandes, Tiago A.; André, Vânia; Arol, Aliaksandr S.; França, Ângela; Mikhalyonok, Sergei; Cerca, Nuno; Kirillov, Alexander M. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 26 |
| Pages of publication | 10924 - 10932 |
| a | 9.187 ± 0.003 Å |
| b | 34.222 ± 0.01 Å |
| c | 4.7335 ± 0.0014 Å |
| α | 90° |
| β | 107.932 ± 0.008° |
| γ | 90° |
| Cell volume | 1415.9 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.133 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1255 |
| Weighted residual factors for all reflections included in the refinement | 0.1592 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7059649.cif |
| 257717 | 2020-10-06 | cif/ Updating files of 7059649, 7059650, 7059651 Original log message: Adding full bibliography for 7059649--7059651.cif. |
7059649.cif |
| 255063 | 2020-08-06 | cif/ Updating files of 7059649, 7059650, 7059651 Original log message: Adding full bibliography for 7059649--7059651.cif. |
7059649.cif |
| 252426 | 2020-05-28 | cif/ Adding structures of 7059649, 7059650, 7059651 via cif-deposit CGI script. |
7059649.cif |
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Users of the data should acknowledge the original authors of the
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