Information card for entry 4002904

Structure parameters

• Formula: C4 H12 Br4 N2 Pb
• Calculated formula: C4 H12 Br4 N2 Pb
• Title of publication: Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission
• Authors of publication: Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3582
• a: 6.2763 ± 0.0003 Å
• b: 20.46 ± 0.0009 Å
• c: 9.6935 ± 0.0004 Å
• α: 90°
• β: 90.563 ± 0.002°
• γ: 90°
• Cell volume: 1244.71 ± 0.1 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 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: 0.0314
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for significantly intense reflections: 2.2
• Goodness-of-fit parameter for all reflections included in the refinement: 2.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No