Information card for entry 7244868

Structure parameters

• Formula: C6 H18 Br6 F6 N3 Sb
• Calculated formula: C6 H16 Br6 F6 N3 Sb
• 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: 8.0374 ± 0.0009 Å
• b: 12.3053 ± 0.0011 Å
• c: 21.399 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2116.4 ± 0.3 ų
• Cell temperature: 232.97 ± 0.1 K
• Ambient diffraction temperature: 232.97 ± 0.1 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: 0.1508
• Residual factor for significantly intense reflections: 0.1213
• Weighted residual factors for significantly intense reflections: 0.3327
• Weighted residual factors for all reflections included in the refinement: 0.3475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No