Information card for entry 4135271

Structure parameters

• Formula: C14 H20 Br2 Fe I N Pb
• Calculated formula: C14 H20 Br2 Fe I N Pb
• Title of publication: Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.
• Authors of publication: Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 41
• Pages of publication: 17787 - 17794
• a: 25.248 ± 0.003 Å
• b: 10.0268 ± 0.0007 Å
• c: 7.9347 ± 0.0007 Å
• α: 90°
• β: 92.55 ± 0.009°
• γ: 90°
• Cell volume: 2006.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No