Information card for entry 4321811

Structure parameters

• Chemical name: Methyl-chloromethylidene-oxonium-hexafluoroantimonate
• Formula: C2 H4 Cl F6 O Sb
• Calculated formula: C2 H4 Cl F6 O Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[O+](C)=CCl
• Title of publication: Halogenated Carboxonium Salts: Preparation and Structural Analysis
• Authors of publication: Rolf Minkwitz; Stefan Reinemann; Oliver Blecher; Hans Hartl; Irene Brüdgam
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 844 - 847
• a: 5.97 ± 0.003 Å
• b: 12.019 ± 0.005 Å
• c: 10.994 ± 0.005 Å
• α: 90 ± 0.03°
• β: 92.59 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 788.1 ± 0.6 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections: 0.1372
• Weighted residual factors for significantly intense reflections: 0.1344
• Goodness-of-fit parameter for all reflections: 1.141
• Goodness-of-fit parameter for significantly intense reflections: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No