Information card for entry 7127644

Structure parameters

• Formula: C8 H17 I3 N2 Zn
• Calculated formula: C8 H17 I3 N2 Zn
• SMILES: C1C[N]2(CC[N+]1(CC2)CC)[Zn](I)(I)I
• 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: 14.4585 ± 0.0003 Å
• b: 13.1776 ± 0.0003 Å
• c: 14.7761 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2815.27 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No