Information card for entry 4122208

Structure parameters

• Formula: C4 H12 Br F2 N O3
• Calculated formula: C4 H12 Br F2 N O3
• Title of publication: Synthesis and characterization of salts containing the BrO(3)F(2)(-) anion; a rare example of a bromine(VII) species.
• Authors of publication: Lehmann, John F.; Schrobilgen, Gary J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 26
• Pages of publication: 9416 - 9427
• a: 8.5718 ± 0.0007 Å
• b: 8.5718 ± 0.0007 Å
• c: 5.8117 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 427.02 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No