Information card for entry 4003313

Structure parameters

• Formula: C5 H11 I4 N3 Pb
• Calculated formula: C5 H11 I4 N3 Pb
• Title of publication: Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells
• Authors of publication: Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi; Ma, Lin; Im, Jino; Stoumpos, Constantinos C.; Malliakas, Christos D.; Hao, Feng; Wasielewski, Michael R.; Mohite, Aditya D.; Kanatzidis, Mercouri G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 7781
• a: 8.9159 ± 0.0007 Å
• b: 20.0335 ± 0.0015 Å
• c: 8.9925 ± 0.0006 Å
• α: 90°
• β: 91.875 ± 0.006°
• γ: 90°
• Cell volume: 1605.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No