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Information card for entry 1566067
Preview
| Coordinates | 1566067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 Br2 Co N8 S2 |
|---|---|
| Calculated formula | C20 H20 Br2 Co N8 S2 |
| SMILES | [Co](Br)(Br)([n]1c(n(C2=NCCS2)c2c1cccc2)N)[n]1c(n(C2=NCCS2)c2c1cccc2)N |
| Title of publication | Cobalt(II) complexes derived from a 2-aminobenzimidazole-thiazoline ligand: Synthesis, characterization, crystal structures and antimicrobial activity studies |
| Authors of publication | Moreno-Alvero, M.; Luna-Giles, F.; Barros-García, F.J.; Viñuelas-Zahínos, E.; Fernández-Calderón, M.C. |
| Journal of publication | Polyhedron |
| Year of publication | 2021 |
| Journal volume | 207 |
| Pages of publication | 115390 |
| a | 9.3193 ± 0.0005 Å |
| b | 11.5459 ± 0.0006 Å |
| c | 12.0528 ± 0.0008 Å |
| α | 83.801 ± 0.003° |
| β | 67.752 ± 0.002° |
| γ | 82.678 ± 0.003° |
| Cell volume | 1188.02 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0444 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0633 |
| Weighted residual factors for all reflections included in the refinement | 0.0686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272158 (current) | 2022-01-20 | cif/ Adding structures of 1566066, 1566067, 1566068 via cif-deposit CGI script. |
1566067.cif |
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Users of the data should acknowledge the original authors of the
structural data.