Information card for entry 4116386

Structure parameters

• Chemical name: Trichloroniumhexafluoroarsenate
• Formula: As Cl3 F6
• Calculated formula: As Cl3 F6
• SMILES: [As](F)(F)(F)(F)([F-])F.[Cl+](Cl)Cl
• Title of publication: The Cl2O2+ Cation: Preparation and Structural Investigation of Cl2O2+SbF6- and Cl2O2+Sb2F11-
• Authors of publication: Thomas Drews; Wolfram Koch; Konrad Seppelt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 4379 - 4384
• a: 7.045 ± 0.002 Å
• b: 11.001 ± 0.003 Å
• c: 9.299 ± 0.004 Å
• α: 90°
• β: 94.42 ± 0.04°
• γ: 90°
• Cell volume: 718.5 ± 0.4 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0301
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No