Information card for entry 2226244

Structure parameters

• Chemical name: 1-(2-Bromoethyl)-1,4-diazoniabicyclo[2.2.2]octane bromide tetrafluoroborate
• Formula: C8 H17 B Br2 F4 N2
• Calculated formula: C8 H17 B Br2 F4 N2
• Title of publication: 1-(2-Bromoethyl)-1,4-diazoniabicyclo[2.2.2]octane bromide tetrafluoroborate
• Authors of publication: Xiao, Jing-mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1344
• a: 11.972 ± 0.002 Å
• b: 10.782 ± 0.002 Å
• c: 21.165 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2732 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes