Information card for entry 7124100

Structure parameters

• Formula: C12 H27 Cl4 Ga O7
• Calculated formula: C12 H27 Cl4 Ga O7
• Title of publication: The First High-Temperature Multiaxial Ferroelectric Host-Guest Inclusion Compound
• Authors of publication: Zhang, Han-Yue; Lu, Si-Qi; Chen, Xin; Xiong, Ren-Gen; Tang, Yuan-Yuan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 35.489 ± 0.002 Å
• b: 8.9539 ± 0.0006 Å
• c: 10.3479 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3288.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No