Information card for entry 7208657

Structure parameters

• Common name: dabcoHBr
• Chemical name: 1,4-diazabicyclo[2.2.2]octane hydrobromide
• Formula: C6 H13 Br N2
• Calculated formula: C6 H13 Br N2
• Title of publication: Reverse sequence of transitions in prototypic relaxor 1,4-diazabicyclo[2.2.2]octane
• Authors of publication: Nowicki, Waldemar; Olejniczak, Anna; Andrzejewski, Michał; Katrusiak, Andrzej
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6428
• a: 7.542 ± 0.004 Å
• b: 10.176 ± 0.005 Å
• c: 10.161 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 779.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 400000 kPa
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No