Information card for entry 7201212

Structure parameters

• Common name: 4-perfluorophenyl-1,2,3,5-dithiadiazolyl
• Formula: C7 F5 N2 S2
• Calculated formula: C7 F5 N2 S2
• Title of publication: Co-crystallisation of thiazyl radicals: preparation and crystal structure of [PhCNSSN][C6F5CNSSN]
• Authors of publication: Allen, Charlotte; Haynes, Delia A.; Pask, Christopher M.; Rawson, Jeremy M.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2048
• a: 18.0888 ± 0.0002 Å
• b: 10.6435 ± 0.0002 Å
• c: 10.853 ± 0.0001 Å
• α: 90°
• β: 123.133 ± 0.001°
• γ: 90°
• Cell volume: 1749.76 ± 0.05 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• 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: 0.0364
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No