Information card for entry 4350084

Structure parameters

• Formula: C12 H28 I12 N4 Pb3
• Calculated formula: C12 H28 I12 N4 Pb3
• SMILES: [Pb]12(I)([I][Pb]34([I]1)([I]2)[I][Pb](I)(I)([I]3)(I)[I]4)(I)I.[NH+]12CC[NH+](CC2)CC1.[NH+]12CC[NH+](CC2)CC1
• Title of publication: Organic cation directed hybrid lead halides of zero-dimensional to two-dimensional structures with tunable photoluminescence properties
• Authors of publication: Yue, Cheng-Yang; Sun, Hai-Xiao; Liu, Quan-Xiu; Wang, Xin-Ming; Yuan, Zhao-Shuo; Wang, Juan; Wu, Jia-Hang; Hu, Bing; Lei, Xiao-Wu
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 2709
• a: 12.4385 ± 0.001 Å
• b: 11.1158 ± 0.0006 Å
• c: 18.6465 ± 0.0016 Å
• α: 90°
• β: 109.358 ± 0.004°
• γ: 90°
• Cell volume: 2432.4 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No