Information card for entry 7133085

Structure parameters

• Formula: C6 I3 N Pb
• Calculated formula: C6 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: 7.8521 ± 0.0004 Å
• b: 11.3081 ± 0.0008 Å
• c: 15.9901 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1419.8 ± 0.15 ų
• Cell temperature: 230 K
• Ambient diffraction temperature: 230 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No