Information card for entry 1554685

Structure parameters

• Formula: C10 H26 Cl6 N2 Zn
• Calculated formula: C10 H26 Cl6 N2 Zn
• SMILES: C[N+](CCCl)(C)C.[Cl-][Zn](Cl)(Cl)[Cl-].C[N+](C)(C)CCCl
• Title of publication: Visual low-high interchange in a dielectric switch for trimethylchloroethylamine tetrachlorozincate with a large leap symmetry breaking
• Authors of publication: Zhang, Yu-Wei; Wang, Qing; Shi, Ping-Ping; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 2077
• a: 12.7985 ± 0.0003 Å
• b: 12.7985 ± 0.0003 Å
• c: 25.8884 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4240.6 ± 0.3 ų
• Cell temperature: 370 ± 2 K
• Ambient diffraction temperature: 370 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.2102
• Residual factor for significantly intense reflections: 0.2011
• Weighted residual factors for significantly intense reflections: 0.4934
• Weighted residual factors for all reflections included in the refinement: 0.6065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1432
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No