Information card for entry 4131240

Structure parameters

• Formula: C6 H18 Br4 N2 Pb
• Calculated formula: C6 H18 Br4 N2 Pb
• Title of publication: White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.
• Authors of publication: Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 14
• Pages of publication: 5210 - 5215
• a: 41.685 ± 0.008 Å
• b: 23.962 ± 0.005 Å
• c: 12 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11986 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No