Information card for entry 4316464

Structure parameters

• Formula: C24 H18 F6 N2 O6 S3
• Calculated formula: C24 H18 F6 N2 O6 S3
• SMILES: FC(F)(S(=O)(=O)[O-])F.S([n+]1ccc(cc1)c1ccccc1)[n+]1ccc(cc1)c1ccccc1.FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Synthesis and Reactivity of Sulfur(II) Dications Stabilized Using Monodentate Ligands
• Authors of publication: Caleb D. Martin; Paul J. Ragogna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8164 - 8172
• a: 25.234 ± 0.003 Å
• b: 9.8706 ± 0.0013 Å
• c: 11.2571 ± 0.0015 Å
• α: 90°
• β: 104.29 ± 0.001°
• γ: 90°
• Cell volume: 2717.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.283
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No