Information card for entry 7244866

Structure parameters

• Formula: C6 H14 Br6 F7 N3 Sb
• Calculated formula: C6 H17 Br6 F7 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: 12.3766 ± 0.0005 Å
• b: 21.5176 ± 0.0008 Å
• c: 8.0757 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2150.68 ± 0.14 ų
• Cell temperature: 292.99 ± 0.1 K
• Ambient diffraction temperature: 292.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No