Information card for entry 1566067

Structure parameters

• 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 ų
• 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