Information card for entry 1548495

Structure parameters

• Formula: C3 H4 Br O2 Pb
• Calculated formula: C3 H4 Br O2 Pb
• Title of publication: Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.
• Authors of publication: Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1627 - 1633
• a: 8.9917 ± 0.0008 Å
• b: 8.9917 ± 0.0008 Å
• c: 14.354 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1160.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.2263
• Weighted residual factors for all reflections included in the refinement: 0.2265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No