Information card for entry 4516204

Structure parameters

• Formula: C4 H12 Br2 N Pb0.5
• Calculated formula: C4 H12 Br2 N Pb0.5
• Title of publication: Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals
• Authors of publication: Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan
• Journal of publication: ACS Energy Letters
• Year of publication: 2018
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 343
• a: 8.2451 ± 0.0007 Å
• b: 8.1375 ± 0.0007 Å
• c: 27.463 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1842.6 ± 0.3 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116.02 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: 0.054
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No