Information card for entry 1565261

Structure parameters

• Common name: AB91
• Formula: C13 H20 Ag Br N4 S2
• Calculated formula: C13 H20 Ag Br N4 S2
• Title of publication: Rational synthesis, structural characterization, theoretical studies, antibacterial activity and selective dye absorption of new silver coordination polymers generated from a flexible bis (imidazole-2-thione) ligand
• Authors of publication: Beheshti, Azizolla; Panahi, Fatemeh; Soleymani-Babadi, Susan; Mayer, Peter; Lipkowski, Janusz; Motamedi, Hossein; Samiee, Sepideh
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 504
• Pages of publication: 119406
• a: 11.6893 ± 0.0003 Å
• b: 11.6893 ± 0.0003 Å
• c: 12.7617 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1743.76 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 77
• Hermann-Mauguin space group symbol: P 42
• Hall space group symbol: P 4c
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No