Information card for entry 1550207

Structure parameters

• Formula: C8 H26 I4 N2 Pb
• Calculated formula: C8 H26 I4 N2 Pb
• Title of publication: Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching
• Authors of publication: Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 8.9353 ± 0.0002 Å
• b: 8.9353 ± 0.0002 Å
• c: 24.9636 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1993.08 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 138
• Hermann-Mauguin space group symbol: P 42/n c m
• Hall space group symbol: -P 4ac 2ac
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.2229
• Weighted residual factors for all reflections included in the refinement: 0.2263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No