Information card for entry 1519377

Structure parameters

• Chemical name: [bis(pyridine)silver]triflate
• Formula: C11 H10 Ag F3 N2 O3 S
• Calculated formula: C11 H10 Ag F3 N2 O3 S
• SMILES: [Ag]([n]1ccccc1)[n]1ccccc1.S(=O)(=O)(C(F)(F)F)[O-]
• Title of publication: Counterion influence on the N–I–N halogen bond
• Authors of publication: Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 3746
• a: 7.952 ± 0.0004 Å
• b: 17.294 ± 0.0006 Å
• c: 10.7947 ± 0.0006 Å
• α: 90°
• β: 95.624 ± 0.002°
• γ: 90°
• Cell volume: 1477.36 ± 0.12 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.097
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No