Information card for entry 7133987

Structure parameters

• Formula: C4 H11 Br Mn0.8 N Pb0.7
• Calculated formula: C4 H11 Br Mn0.8 N Pb0.7
• Title of publication: Interstitial and substitutional doping of Mn²⁺ in 2D PEA₂PbBr₄ and BA₂PbBr₄ perovskites.
• Authors of publication: Kuruppu, Udara M.; Magdaleno, Alvaro J.; Kshirsagar, Anuraj S.; Donnadieu, Bruno; Prins, Ferry; Gangishetty, Mahesh K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• a: 8.2611 ± 0.0009 Å
• b: 8.1366 ± 0.0009 Å
• c: 27.461 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1845.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2705
• Weighted residual factors for all reflections included in the refinement: 0.2757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.306
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No