Information card for entry 1564606

Structure parameters

• Formula: C18 H28 Br4 Cd N2
• Calculated formula: C18 H28 Br4 Cd N2
• Title of publication: Multifunctional molecular ferroelectric with Chiral feature, High Curie Temperature, Large Spontaneous Polarization and Photoluminescence: (C9H14N)2CdBr4
• Authors of publication: Li, Yu-Kong; Lai, Yuan Yuan; Ying, Ting-Ting; Han, Ding-Chong; Tan, Yu-Hui; Tang, Yun Zhi; Du, Peng-Kang; Zhang, Hao
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 11.2525 ± 0.0005 Å
• b: 7.9861 ± 0.0003 Å
• c: 13.9703 ± 0.0006 Å
• α: 90°
• β: 97.514 ± 0.004°
• γ: 90°
• Cell volume: 1244.64 ± 0.09 ų
• Cell temperature: 373 K
• Ambient diffraction temperature: 373 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No