Information card for entry 7062955

Structure parameters

• Common name: NMe3VCPFSA_Br2_CPFSA
• Formula: C8 H12 Br2 F6 N2 O4 S2
• Calculated formula: C8 H12 Br2 F6 N2 O4 S2
• SMILES: C[N+](C)(C)C(CBr)Br.C1(C(C(F)(F)S(=O)(=O)N=S1([O-])=O)(F)F)(F)F
• Title of publication: Ionic plastic crystals and ionic liquids containing quaternary cations with alkenyl substituents: chemical phase transformations by bromine vapor
• Authors of publication: Nakazono, Yosuke; Inoue, Ryota; Sumitani, Ryo; Mochida, Tomoyuki
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 2219 - 2225
• a: 31.144 ± 0.013 Å
• b: 7.46 ± 0.003 Å
• c: 16.328 ± 0.007 Å
• α: 90°
• β: 117.839 ± 0.005°
• γ: 90°
• Cell volume: 3355 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.0495
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No