Information card for entry 1568697

Structure parameters

• Common name: APHTZ
• Chemical name: 5-(4-aminophenyl)-1H-tetrazole
• Formula: C7 H7 N5
• Calculated formula: C7 H7 N5
• 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: 8.2666 ± 0.0003 Å
• b: 5.6858 ± 0.0002 Å
• c: 15.5021 ± 0.0007 Å
• α: 90°
• β: 91.087 ± 0.004°
• γ: 90°
• Cell volume: 728.5 ± 0.05 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No