Information card for entry 7233565

Structure parameters

• Common name: dabco hydrochloride
• Chemical name: 1,4diazabicyclo[2.2.2]octane hydrochloride
• Formula: C6 H19 Cl N2 O3
• Calculated formula: C6 H13 Cl N2 O3
• Title of publication: Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns
• Authors of publication: Marek Szafranski
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2012
• Journal volume: 1
• Pages of publication: 7904 - 7913
• a: 16.488 ± 0.003 Å
• b: 5.2695 ± 0.0011 Å
• c: 12.254 ± 0.003 Å
• α: 90°
• β: 92.28 ± 0.03°
• γ: 90°
• Cell volume: 1063.8 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.2734
• Weighted residual factors for all reflections included in the refinement: 0.2744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No