Information card for entry 1548494

Structure parameters

• Formula: C4 H4 Br4 O4 Pb3
• Calculated formula: C4 H4 Br4 O4 Pb3
• SMILES: [Pb+2].[Pb+2].[Pb+2].[Br-].[Br-].[Br-].[Br-].O=C([O-])CC(=O)[O-]
• 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: 8.2193 ± 0.0007 Å
• b: 14.718 ± 0.0012 Å
• c: 10.7344 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1298.56 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.2209
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No