Information card for entry 7133086

Structure parameters

• Formula: C5 H12 I N
• Calculated formula: C5 H12 I N
• 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: 7.3846 ± 0.0001 Å
• b: 7.3846 ± 0.0001 Å
• c: 7.2299 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 394.263 ± 0.013 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No