Information card for entry 4003235

Structure parameters

• Common name: Butylammonium Methylammonium Lead Iodide
• Formula: C10 H36 I10 N4 Pb3
• Calculated formula: C10 H36 I10 N4 Pb3
• Title of publication: Ruddlesden‒Popper Hybrid Lead Iodide Perovskite 2D Homologous Semiconductors
• Authors of publication: Stoumpos, Constantinos C.; Cao, Duyen H.; Clark, Daniel J.; Young, Joshua; Rondinelli, James M.; Jang, Joon I.; Hupp, Joseph T.; Kanatzidis, Mercouri G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2852
• a: 8.9275 ± 0.0006 Å
• b: 51.959 ± 0.004 Å
• c: 8.8777 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4118 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: C 2 e b
• Hall space group symbol: C -2ac 2
• Residual factor for all reflections: 0.1234
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No