Information card for entry 7130004

Structure parameters

• Formula: C2 I3 N Pb
• Calculated formula: C2.0004 I3 N0.9996 Pb
• Title of publication: Aziridinium cation templating 3D lead halide hybrid perovskites
• Authors of publication: Petrosova, Hanna R.; Kucheriv, Olesia I.; Shova, Sergiu; Gural'skiy, Il'ya A.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 6.364 ± 0.0004 Å
• b: 6.364 ± 0.0004 Å
• c: 6.364 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 257.75 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No