Information card for entry 4515189

Structure parameters

• Formula: C32 H38 F10 I8 N4 Pb2
• Calculated formula: C32 H38 F10 I8 N4 Pb2
• Title of publication: Aryl-Perfluoroaryl Interaction in Two-Dimensional Organic‒Inorganic Hybrid Perovskites Boosts Stability and Photovoltaic Efficiency
• Authors of publication: Hu, Jun; Oswald, Iain W. H.; Hu, Huamin; Stuard, Samuel J.; Nahid, Masrur Morshed; Yan, Liang; Chen, Zheng; Ade, Harald; Neilson, James R.; You, Wei
• Journal of publication: ACS Materials Letters
• Year of publication: 2019
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 171
• a: 12.2981 ± 0.0007 Å
• b: 12.3163 ± 0.0008 Å
• c: 17.2102 ± 0.0011 Å
• α: 83.575 ± 0.002°
• β: 79.708 ± 0.002°
• γ: 89.976 ± 0.002°
• Cell volume: 2548.2 ± 0.3 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No