Information card for entry 7130008

Structure parameters

• Formula: C34 H69 B2 F8 N6 O12
• Calculated formula: C34 H69 B2 F8 N6 O12
• Title of publication: [(Histamine)(18-crown-6)₂][BF₄]₂ is a high-temperature piezoelectric.
• Authors of publication: Li, Yi-Rong; Zhang, Yun-Fang; Tang, Yuan-Yuan; Zhang, Han-Yue
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 33
• Pages of publication: 5148 - 5151
• a: 10.6823 ± 0.0002 Å
• b: 28.9209 ± 0.0007 Å
• c: 15.9356 ± 0.0003 Å
• α: 90°
• β: 103.244 ± 0.002°
• γ: 90°
• Cell volume: 4792.23 ± 0.18 ų
• Cell temperature: 280.9 ± 0.9 K
• Ambient diffraction temperature: 280.9 ± 0.9 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.2916
• Weighted residual factors for all reflections included in the refinement: 0.3248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No