Information card for entry 1568995

Structure parameters

• Formula: C8 H22 Br8 N2 Sn
• Calculated formula: C8 H22 Br8 N2 Sn
• Title of publication: An anomalous ferroelastic phase transition arising from an unusual <i>cis</i>-/<i>anti</i>-conformational reversal of polar organic cations.
• Authors of publication: Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 5965 - 5973
• a: 8.7521 ± 0.0007 Å
• b: 9.7104 ± 0.0006 Å
• c: 14.0201 ± 0.0011 Å
• α: 90°
• β: 94.43 ± 0.008°
• γ: 90°
• Cell volume: 1187.96 ± 0.15 ų
• Cell temperature: 350 ± 2 K
• Ambient diffraction temperature: 350 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.2463
• Weighted residual factors for all reflections included in the refinement: 0.2553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No