Information card for entry 7133088

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
• Journal volume: 60
• Journal issue: 51
• Pages of publication: 6488 - 6491
• a: 16.4064 ± 0.0004 Å
• b: 16.4064 ± 0.0004 Å
• c: 8.3883 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1955.38 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0772
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No