Information card for entry 4030348

Structure parameters

• Formula: C3 H2 F6 O4 S2
• Calculated formula: C3 H2 F6 O4 S2
• SMILES: S(=O)(=O)(CS(=O)(=O)C(F)(F)F)C(F)(F)F
• Title of publication: Novel layered structures in metal salts of bis(sulfonyl) methanes
• Authors of publication: Desmarteau, D. D.; Pennington, W. T.; Sung, K.-S.; Zhu, S.-Z.; Scott, R.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1991
• Journal volume: 28
• Pages of publication: 905 - 917
• a: 5.429 ± 0.001 Å
• b: 9.24 ± 0.002 Å
• c: 9.298 ± 0.002 Å
• α: 90°
• β: 106.79 ± 0.02°
• γ: 90°
• Cell volume: 446.54 ± 0.17 ų
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0501
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No