Information card for entry 7244865

Structure parameters

• Formula: C6 H18 Br6 F6 N3 Sb
• Calculated formula: C6 H18 Br6 F6 N3 Sb
• SMILES: [Sb](Br)([Br-])(Br)([Br-])([Br-])Br.FC(F)C[NH3+].FC(C[NH3+])F.FC(C[NH3+])F
• Title of publication: Tunable hybrid perovskites with Narrow bandgap and Multistage phase transition properties: 2,2-difluoroethylamine·Antimony Hexabromide
• Authors of publication: Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Tang, Yun Zhi; Wang, Li Juan; Liao, Juan; Sun, Zhen
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.0145 ± 0.0003 Å
• b: 12.1192 ± 0.0004 Å
• c: 21.2967 ± 0.0007 Å
• α: 90°
• β: 91.686 ± 0.003°
• γ: 90°
• Cell volume: 2067.64 ± 0.12 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133.2 ± 0.4 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2043
• Residual factor for significantly intense reflections: 0.2014
• Weighted residual factors for significantly intense reflections: 0.5057
• Weighted residual factors for all reflections included in the refinement: 0.5062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No