Information card for entry 4133148

Structure parameters

• Formula: C6 H16 Br3.97 N2 Pb
• Calculated formula: C6 H16 Br3.969 N2 Pb
• Title of publication: Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.
• Authors of publication: Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 40
• Pages of publication: 13078 - 13088
• a: 17.745 ± 0.004 Å
• b: 10.235 ± 0.002 Å
• c: 7.8299 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1422.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No