Information card for entry 7123758

Structure parameters

• Formula: C6 H20 Cl4 N2 O2 Zn
• Calculated formula: C6 H20 Cl4 N2 O2 Zn
• Title of publication: A New Ferroelastic Hybrid Material with a Large Spontaneous Strain: (Me3NOH)2[ZnCl4]
• Authors of publication: Yuan, Wei; Zeng, Ying; Tan, Ya-Yin; Zhou, Jianhua; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.2339 ± 0.0002 Å
• b: 8.562 ± 0.0001 Å
• c: 15.2029 ± 0.0003 Å
• α: 100.244 ± 0.002°
• β: 90°
• γ: 90°
• Cell volume: 1567.07 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 21/n 1 1
• Hall space group symbol: -P 2xn
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No