Information card for entry 1568702

Structure parameters

• Common name: TFPHTZ
• Chemical name: 5-(4-trifluoromethylphenyl)-1H-tetrazole
• Formula: C8 H5 F3 N4
• Calculated formula: C8 H5 F3 N4
• Title of publication: Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.
• Authors of publication: Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji
• Journal of publication: Materials horizons
• Year of publication: 2023
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 2149 - 2159
• a: 10.3316 ± 0.0019 Å
• b: 9.7732 ± 0.0016 Å
• c: 9.7411 ± 0.0018 Å
• α: 90°
• β: 116.898 ± 0.003°
• γ: 90°
• Cell volume: 877.2 ± 0.3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No