Information card for entry 7233562

Structure parameters

• Common name: dabco hydrochloride
• Chemical name: 1,4diazabicyclo[2.2.2]octane hydrochloride
• Formula: C6 H13 Cl N2
• Calculated formula: C6 H13 Cl N2
• 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: 7.368 ± 0.006 Å
• b: 10.076 ± 0.002 Å
• c: 10.227 ± 0.005 Å
• α: 90 ± 0.04°
• β: 90 ± 0.06°
• γ: 90 ± 0.06°
• Cell volume: 759.3 ± 0.7 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• 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: 0.0324
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No