Information card for entry 7717592

Structure parameters

• Formula: C2 Br2.8 I0.2 N Pb
• Calculated formula: C2.0004 Br2.79 I0.21 N0.9996 Pb
• Title of publication: Fine-tuning of optical band gap in mixed halide aziridinium lead perovskites.
• Authors of publication: Kucheriv, Olesia I.; Haleliuk, Dmytro A.; Shova, Sergiu; Gural'skiy, Il'ya A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1618 - 1624
• a: 5.9968 ± 0.0003 Å
• b: 5.9968 ± 0.0003 Å
• c: 5.9968 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 215.655 ± 0.019 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No