Information card for entry 4321450

Structure parameters

• Formula: C8 H18 F6 N4 O S2
• Calculated formula: C8 H18 F6 N4 O S2
• SMILES: S(F)(F)(C(F)(F)F)N=C([O-])F.[S+](N(C)C)(N(C)C)N(C)C
• Title of publication: Reactions of (Carbonylimido)sulfur(IV) Derivatives with TAS-Fluoride, (Me2N)3S+Me3SiF2-
• Authors of publication: Enno Lork; Detlef Viets; Rüdiger Mews; Heinz Oberhammer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4838 - 4842
• a: 22.844 ± 0.002 Å
• b: 8.668 ± 0.001 Å
• c: 16.216 ± 0.002 Å
• α: 90°
• β: 100.11 ± 0.01°
• γ: 90°
• Cell volume: 3161.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.2088
• Weighted residual factors for all reflections included in the refinement: 0.254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No