Information card for entry 7133087

Structure parameters

• Formula: C5 H12 I3 N Pb
• Calculated formula: C5 H12 I3 N Pb
• Title of publication: Formation of iminium ions during the processing of metal halide perovskites.
• Authors of publication: Möbs, Jakob; Tomori, Ajna; Heine, Johanna
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• a: 16.745 ± 0.004 Å
• b: 16.745 ± 0.004 Å
• c: 8.387 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2036.6 ± 1 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No