Information card for entry 7236947

Structure parameters

• Formula: C8 H22 Cl6 N2 Zn
• Calculated formula: C8 H22 Cl6 N2 Zn
• Title of publication: Unusual two-step sequential reversible phase transitions with coexisting switchable nonlinear optical and dielectric behaviors in [(CH3)3NCH2Cl]2[ZnCl4]
• Authors of publication: Liao, Wei-Qiang; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Lu, Yang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 45
• Pages of publication: 11873
• a: 8.94 ± 0.007 Å
• b: 16.574 ± 0.014 Å
• c: 12.013 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1780 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No