Information card for entry 7133988

Structure parameters

• Formula: C4 H12 Br2 N Pb0.5
• Calculated formula: C4 H12 Br2 N Pb0.5
• 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
• Journal volume: 60
• Journal issue: 100
• Pages of publication: 14960 - 14963
• a: 8.249 ± 0.0008 Å
• b: 8.1326 ± 0.0008 Å
• c: 27.428 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1840 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0877
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2315
• Weighted residual factors for all reflections included in the refinement: 0.2503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No