Information card for entry 4003236

Structure parameters

• Common name: Bytulammonium Methylammonium Lead iodide
• Formula: C11 H42 I13 N5 Pb4
• Calculated formula: C11 H42 I13 N5 Pb4
• 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: 8.9274 ± 0.0004 Å
• b: 64.383 ± 0.003 Å
• c: 8.8816 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5104.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 40
• Hermann-Mauguin space group symbol: C c 2 m
• Hall space group symbol: C -2c -2c
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No