Information card for entry 4501696

Structure parameters

• Common name: dabco hydroiodide
• Chemical name: 1,4-diazabicyclo[2.2.2]octane hydroiodide
• Formula: C6 H13 I N2
• Calculated formula: C6 H13 I N2
• Title of publication: Proton Disorder in NH···N Bonded [dabcoH]+I−Relaxor: New Insights into H-Disordering in a One-Dimensional H2O Ice Analogue
• Authors of publication: Szafrański, Marek; Katrusiak, Andrzej; McIntyre, Garry J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 4334
• a: 7.0925 ± 0.001 Å
• b: 7.0925 ± 0.001 Å
• c: 5.3437 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 232.79 ± 0.07 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 4
• Space group number: 187
• Hermann-Mauguin space group symbol: P -6 m 2
• Hall space group symbol: P -6 2
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.8372 Å
• Diffraction radiation type: hotneutrons
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No