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Information card for entry 3000196
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| Coordinates | 3000196.cif |
|---|---|
| Structure factors | 3000196.hkl |
| Original paper (by DOI) | HTML |
| Formula | C10 H20 N10 O9 S Zn |
|---|---|
| Calculated formula | C10 H20 N10 O9 S Zn |
| Title of publication | Zinc 1,2,4-triazolo[1,5-a]pyrimidine Complexes: Synthesis, Structural Characterization and their Effect Against Chagas Disease. |
| Authors of publication | José Manuel Méndez-Arriaga; Erika Rubio-Mirallas; Miguel Quirós; Manuel Sánchez-Moreno |
| Journal of publication | Medicinal chemistry (Shariqah (United Arab Emirates)) |
| Year of publication | 2022 |
| Journal volume | 18 |
| Journal issue | 4 |
| Pages of publication | 444 - 451 |
| a | 7.5409 ± 0.0003 Å |
| b | 21.4401 ± 0.0008 Å |
| c | 11.7364 ± 0.0005 Å |
| α | 90° |
| β | 91.352 ± 0.002° |
| γ | 90° |
| Cell volume | 1896.99 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0357 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.892 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.