Information card for entry 7062853

Structure parameters

• Formula: C6 H16 Br4 Fe N
• Calculated formula: C6 H16 Br4 Fe N
• Title of publication: High-Tc Fe-based ferroelectric compound with large spontaneous polarization and narrow bandgap
• Authors of publication: Tan, Yu-Xin; Ying, Ting-Ting; Fan, Xiao-Wei; Huang, Yan-Le; Wan, Ming-Yang; Wang, Fang-Xin; Li, Qiao-Lin; Wang, Meng-Na
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 44
• Pages of publication: 20619 - 20625
• a: 8.6868 ± 0.0004 Å
• b: 12.6059 ± 0.0006 Å
• c: 13.389 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1466.16 ± 0.12 ų
• Cell temperature: 219.99 ± 0.1 K
• Ambient diffraction temperature: 219.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No