Information card for entry 4515174

Structure parameters

• Common name: thiazolium lead iodide
• Formula: C3 H3 I4.5 N3 Pb1.5 S1.5
• Calculated formula: C3 H6 I4.5 N3 Pb1.5 S1.5
• Title of publication: Improved Environmental Stability and Solar Cell Efficiency of (MA,FA)PbI3 Perovskite Using a Wide-Band-Gap 1D Thiazolium Lead Iodide Capping Layer Strategy
• Authors of publication: Gao, Lili; Spanopoulos, Ioannis; Ke, Weijun; Huang, Sheng; Hadar, Ido; Chen, Lin; Li, Xiaolei; Yang, Guanjun; Kanatzidis, Mercouri G.
• Journal of publication: ACS Energy Letters
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 1763
• a: 15.6998 ± 0.0003 Å
• b: 15.6998 ± 0.0003 Å
• c: 8.0618 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1720.88 ± 0.08 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 174
• Hermann-Mauguin space group symbol: P -6
• Hall space group symbol: P -6
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for significantly intense reflections: 4.52
• Goodness-of-fit parameter for all reflections included in the refinement: 4.37
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No