Information card for entry 7123759

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: 12.2052 ± 0.0006 Å
• b: 8.7156 ± 0.0004 Å
• c: 15.4497 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1643.47 ± 0.13 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.1016
• Weighted residual factors for significantly intense reflections: 0.328
• Weighted residual factors for all reflections included in the refinement: 0.3609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.262
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No