Information card for entry 7215991

Structure parameters

• Common name: guanidinium tetrafluoroborate
• Chemical name: guanidinium tetrafluoroborate
• Formula: C H6 B F4 N3
• Calculated formula: C H6 B F4 N3
• SMILES: C(=[NH2+])(N)N.[B](F)(F)(F)[F-]
• Title of publication: Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics
• Authors of publication: Szafrański, Marek
• Journal of publication: CrystEngComm
• Year of publication: 2014
• a: 7.4011 ± 0.0005 Å
• b: 7.4011 ± 0.0005 Å
• c: 8.3856 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 397.79 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Ambient diffracton pressure: 780000 kPa
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No