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Information card for entry 3000218
Preview
| Coordinates | 3000218.cif |
|---|---|
| Structure factors | 3000218.hkl |
| Original paper (by DOI) | HTML |
| Formula | C56 H68 Ag6 B6 F24 N32 O2 |
|---|---|
| Calculated formula | C56 H68 Ag6 B6 F24 N32 O2 |
| Title of publication | High antiparasitic activity of silver complexes of 5,7-dimethyl-1,2,4-triazolo[1,5 a]pyrimidine. |
| Authors of publication | Esteban-Parra, Ginés M; Méndez-Arriaga, José M; Rodríguez-Diéguez, Antonio; Quirós, Miguel; Salas, Juan M; Sánchez-Moreno, Manuel |
| Journal of publication | Journal of inorganic biochemistry |
| Year of publication | 2019 |
| Journal volume | 201 |
| Pages of publication | 110810 |
| a | 12.0038 ± 0.0003 Å |
| b | 27.5554 ± 0.0008 Å |
| c | 12.8479 ± 0.0004 Å |
| α | 90° |
| β | 100.967 ± 0.001° |
| γ | 90° |
| Cell volume | 4172.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0714 |
| Residual factor for significantly intense reflections | 0.0615 |
| Weighted residual factors for significantly intense reflections | 0.167 |
| Weighted residual factors for all reflections included in the refinement | 0.1766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218822 (current) | 2019-09-25 | cif/ hkl/ Updating files of 3000218 Original log message: Releasing structure 3000218 into public domain as published material. |
3000218.cif 3000218.hkl |
| 213316 | 2019-01-25 | cif/ hkl/ Adding structures of 3000218 via cif-deposit CGI script. |
3000218.cif |
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Users of the data should acknowledge the original authors of the
structural data.