Information card for entry 4305989

Structure parameters

• Formula: Br F6 O2 Sb
• Calculated formula: Br F6 O2 Sb
• SMILES: [Br+](=O)=O.[F-][Sb](F)(F)(F)(F)F
• Title of publication: Behavior of BrO3F and ClO3F Toward Strong Lewis Acids and the Characterization of [XO2][SbF6] (X = Cl, Br) by Single Crystal X-ray Diffraction, Raman Spectroscopy, and Computational Methods
• Authors of publication: John F. Lehmann; Sebastian Riedel; Gary J. Schrobilgen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8343 - 8356
• a: 7.2508 ± 0.0015 Å
• b: 5.7788 ± 0.0012 Å
• c: 10.045 ± 0.002 Å
• α: 90°
• β: 133.23 ± 0.03°
• γ: 90°
• Cell volume: 306.67 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0131
• Residual factor for significantly intense reflections: 0.013
• Weighted residual factors for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections included in the refinement: 0.0323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.399
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No