Information card for entry 2312746

Structure parameters

• Chemical name: Benzoacylium undecafluorodiarsenate
• Formula: C7 H5 As2 F11 O
• Calculated formula: C7 H5 As2 F11 O
• SMILES: [As](F)([F][As](F)(F)(F)(F)F)(F)(F)(F)F.[O+]#Cc1ccccc1
• Title of publication: Structural investigations of the benzoyl fluoride and the benzoacyl cation of low-melting compounds and reactive intermediates.
• Authors of publication: Bockmair, Valentin; Regnat, Martin; Tran, Huu Khanh Trinh; Kornath, Andreas J.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 2
• a: 10.6376 ± 0.0009 Å
• b: 9.9099 ± 0.0007 Å
• c: 13.0019 ± 0.0009 Å
• α: 90°
• β: 101.806 ± 0.008°
• γ: 90°
• Cell volume: 1341.63 ± 0.18 ų
• Cell temperature: 112 ± 2 K
• Ambient diffraction temperature: 112 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0949
• 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