Information card for entry 4068196

Structure parameters

• Formula: C12 H6 F8 N2 O S Se
• Calculated formula: C12 H6 F8 N2 O S Se
• SMILES: [Se](c1c(F)c(F)nc(F)c1F)c1c(F)c(F)nc(F)c1F.S(=O)(C)C
• Title of publication: 4-Tetrafluoropyridyl Silver(I), AgC5F4N, in Redox Transmetalations with Selenium and Tellurium(23)
• Authors of publication: Aboulkacem, Said; Naumann, Dieter; Tyrra, Wieland; Pantenburg, Ingo
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 1559
• a: 9.5859 ± 0.0013 Å
• b: 17.9451 ± 0.0017 Å
• c: 8.9832 ± 0.0012 Å
• α: 90°
• β: 96.345 ± 0.011°
• γ: 90°
• Cell volume: 1535.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0472
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No