Information card for entry 7236650

Structure parameters

• Formula: C2 H6 I3 N Pb
• Calculated formula: C2 I3 N0.99 Pb
• Title of publication: Gas induced conversion of hybrid perovskite single crystal to single crystal for great enhancement of their photoelectric properties
• Authors of publication: Ju, Dianxing; Zhao, Tianyu; Yangyang, Dang; Zhang, Guodong; Hu, Xiaobo; Cui, Deliang; Tao, Xutang
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 41
• Pages of publication: 21919
• a: 8.749 ± 0.0012 Å
• b: 8.749 ± 0.0012 Å
• c: 8.2061 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 543.98 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No