Information card for entry 7237850

Structure parameters

• Chemical name: (1,1'-diethyl-[2,2'-bipyridine]-1,1'-diium)Pb3I8
• Formula: C14 H19 I8 N2 Pb3
• Calculated formula: C14 H19 I8 N2 Pb3
• Title of publication: Constructing moisture-stable hybrid lead iodine semiconductors based on hydrogen-bond-free and dual-iodine strategies
• Authors of publication: Liu, Guang-Ning; Zhao, Ruo-Yu; Xu, Rang-Dong; Liu, Qisheng; Xu, Bo; Wang, Yang-Yang; Wu, Qian; Wang, Jun-Nuan; Nie, Yong; Li, Cuncheng
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 25
• Pages of publication: 7700
• a: 7.8325 ± 0.0003 Å
• b: 22.8994 ± 0.0006 Å
• c: 18.3031 ± 0.0008 Å
• α: 90°
• β: 94.994 ± 0.004°
• γ: 90°
• Cell volume: 3270.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No