Information card for entry 1568699

Structure parameters

• Common name: CPHTZ
• Chemical name: 5-(4-chlorophenyl)-1H-tetrazole
• Formula: C7 H5 Cl N4
• Calculated formula: C7 H5 Cl 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: 9.457 ± 0.003 Å
• b: 11.427 ± 0.003 Å
• c: 7.298 ± 0.002 Å
• α: 90°
• β: 107.987 ± 0.006°
• γ: 90°
• Cell volume: 750.1 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No