Information card for entry 7720321

Structure parameters

• Formula: C4 H14 Cl2 I4 N2 Pb
• Calculated formula: C4 H14 Cl2 I4 N2 Pb
• Title of publication: Halide exchange in (ClEA)2PbI4 and its effect on the structural and electronic properties of perovskite layers
• Authors of publication: Yang, Linfei; Gan, Xiaoyan; Zhao, Gang; Huang, Qiang; Liao, Jianhua; Wang, Changsheng; Liu, Hanxing
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 6.4703 ± 0.0013 Å
• b: 12.839 ± 0.0007 Å
• c: 20.797 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1727.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P b n m
• Hall space group symbol: -P 2c 2ab
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No