Information card for entry 7130007

Structure parameters

• Formula: C29 H59 B2 F8 N3 O12
• Calculated formula: C29 H59 B2 F8 N3 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: 12.926 ± 0.003 Å
• b: 8.7447 ± 0.0016 Å
• c: 19.506 ± 0.005 Å
• α: 90°
• β: 99.57 ± 0.02°
• γ: 90°
• Cell volume: 2174.2 ± 0.9 ų
• Cell temperature: 402 ± 10 K
• Ambient diffraction temperature: 402 ± 10 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1991
• Residual factor for significantly intense reflections: 0.1259
• Weighted residual factors for significantly intense reflections: 0.3768
• Weighted residual factors for all reflections included in the refinement: 0.4455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No