Information card for entry 1568994

Structure parameters

• Formula: C8 H22 Br8 N2 Te
• Calculated formula: C7.5 H22 Br8 N2 Te
• 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: 8.7336 ± 0.0008 Å
• b: 9.84 ± 0.0008 Å
• c: 13.8013 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1186.06 ± 0.17 ų
• Cell temperature: 325 K
• Ambient diffraction temperature: 325 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m 21 n
• Hall space group symbol: P -2ab -2
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.245
• Weighted residual factors for all reflections included in the refinement: 0.2933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No