Information card for entry 4516205

Structure parameters

• Formula: C4 H12 I2 N Pb0.5
• Calculated formula: C4 H12 I2 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: 8.396 ± 0.003 Å
• b: 8.966 ± 0.003 Å
• c: 26.188 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1971.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.09 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: 0.125
• Residual factor for significantly intense reflections: 0.1123
• Weighted residual factors for significantly intense reflections: 0.2858
• Weighted residual factors for all reflections included in the refinement: 0.2913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.397
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No