Information card for entry 1572408

Structure parameters

• Formula: C5 H13 Br4 Cl Ga N
• Calculated formula: C5 H13 Br4 Cl Ga N
• Title of publication: Achievement of a giant electromechanical conversion coefficient in a molecule-based ferroelectric.
• Authors of publication: Wang, Bin; Li, Zhirui; Tang, Zhengxiao; Zhao, Haixia; Long, Lasheng; Zheng, Lansun
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 15192 - 15197
• a: 14.0655 ± 0.0008 Å
• b: 7.6705 ± 0.0005 Å
• c: 13.2164 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1425.91 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No