Information card for entry 7127646

Structure parameters

• Formula: C8 H16 F I3 N2 Zn
• Calculated formula: C8 H16 F I3 N2 Zn
• SMILES: I[Zn](I)(I)[N]12CC[N+](CCF)(CC1)CC2
• Title of publication: A multiaxial molecular ferroelectric with record high <i>T</i>_C designed by intermolecular interaction modulation.
• Authors of publication: Li, Jun-Yi; Xu, Qiu-Ling; Ye, Si-Yu; Tong, Liang; Chen, Xiang; Chen, Li-Zhuang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 7
• Pages of publication: 943 - 946
• a: 19.9308 ± 0.0014 Å
• b: 7.8474 ± 0.0005 Å
• c: 9.8836 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1545.84 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No