Information card for entry 7104926

Structure parameters

• Formula: C8 H3 As2 F12 N3 O2 S4
• Calculated formula: C8 H3 As2 F12 N3 O2 S4
• Title of publication: The preparation of the MF6- (M = As, Sb) salts of 1,4-benzoquinodal bridged bis-1,3,2-dithiazolylium utilizing the cycloaddition and oxidative dehydrogenation chemistry of SNSMF6 and observation of a hybrid semiquinoidal-thiazyl radical-cation by EPR.
• Authors of publication: Decken, Andreas; Mailman, Aaron; Passmore, Jack
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 6077 - 6079
• a: 18.343 ± 0.004 Å
• b: 8.069 ± 0.0013 Å
• c: 15.085 ± 0.003 Å
• α: 90°
• β: 120.246 ± 0.004°
• γ: 90°
• Cell volume: 1928.9 ± 0.6 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 7
• 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: 0.0229
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No