Information card for entry 2243987

Structure parameters

• Chemical name: Bis[2,6-difluoro-3-(pyridin-2-yl)pyridine-κ<i>N</i>](trifluoromethanesulfonato-κ<i>O</i>)silver(I)
• Formula: C21 H12 Ag F7 N4 O3 S
• Calculated formula: C21 H12 Ag F7 N4 O3 S
• SMILES: [Ag](OS(=O)(=O)C(F)(F)F)([n]1c(c2ccc(F)nc2F)cccc1)[n]1c(c2ccc(F)nc2F)cccc1
• Title of publication: Synthesis, crystal structure and photophysical properties of bis[2,6-difluoro-3-(pyridin-2-yl)pyridine-κ<i>N</i>](trifluoromethanesulfonato-κ<i>O</i>)silver(I)
• Authors of publication: Moon, Suk-Hee; Paek, Sanghyun; Kang, Youngjin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 12
• Pages of publication: 1224 - 1228
• a: 9.0627 ± 0.0002 Å
• b: 10.9637 ± 0.0003 Å
• c: 12.5727 ± 0.0003 Å
• α: 82.4508 ± 0.0011°
• β: 73.7215 ± 0.0011°
• γ: 71.549 ± 0.0011°
• Cell volume: 1136.26 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes