Information card for entry 4003234

Structure parameters

• Common name: Butylammonium Methylammonium Lead Iodide
• Formula: C9 H30 I7 N3 Pb2
• Calculated formula: C9 H30 I7 N3 Pb2
• 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: 8.947 ± 0.0004 Å
• b: 39.347 ± 0.002 Å
• c: 8.8589 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3118.7 ± 0.3 ų
• Cell 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: 0.0632
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No