Information card for entry 4133151

Structure parameters

• Formula: C6 H14 Br3 N Pb
• Calculated formula: C6 H14 Br3 N 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: 7.9457 ± 0.0004 Å
• b: 16.1647 ± 0.0009 Å
• c: 37.86 ± 0.002 Å
• α: 90°
• β: 89.999 ± 0.001°
• γ: 90°
• Cell volume: 4862.7 ± 0.4 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 249.99 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No