Information card for entry 1554139

Structure parameters

• Formula: C4 H16 Br4 N2 Pb
• Calculated formula: C4 H16 Br4 N2 Pb
• Title of publication: Efficient Trap-Mediated Mn2+ Dopant Emission in Two Dimensional Single-Layered Perovskite (CH3CH2NH3)2PbBr4
• Authors of publication: Luo, Binbin; Guo, Yan; Li, Xianli; Xiao, Yonghong; Huang, Xiaochun; Zhang, Jin Z.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2019
• Journal volume: 123
• Journal issue: 23
• Pages of publication: 14239
• a: 11.7549 ± 0.0002 Å
• b: 8.23736 ± 0.00012 Å
• c: 8.16994 ± 0.00015 Å
• α: 90°
• β: 108.855 ± 0.002°
• γ: 90°
• Cell volume: 748.64 ± 0.02 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No