Information card for entry 4515188

Structure parameters

• Formula: C26 H38 Br4 N8 Pb
• Calculated formula: C26 H38 Br4 N8 Pb
• SMILES: [Pb](Br)(Br)([Br-])[Br-].[N+]12(Cc3ccccc3)CN3CN(C1)CN(C2)C3.N12C[N+]3(Cc4ccccc4)CN(C1)CN(C3)C2
• Title of publication: Bulk Assembly of Zero-Dimensional Organic Lead Bromide Hybrid with Efficient Blue Emission
• Authors of publication: Lin, Haoran; Zhou, Chenkun; Chaaban, Maya; Xu, Liang-Jin; Zhou, Yan; Neu, Jennifer; Worku, Michael; Berkwits, Ella; He, Qingquan; Lee, Sujin; Lin, Xinsong; Siegrist, Theo; Du, Mao-Hua; Ma, Biwu
• Journal of publication: ACS Materials Letters
• Year of publication: 2019
• Pages of publication: 594
• a: 8.9526 ± 0.0003 Å
• b: 16.0859 ± 0.0005 Å
• c: 21.5605 ± 0.0008 Å
• α: 90°
• β: 90.488 ± 0.004°
• γ: 90°
• Cell volume: 3104.83 ± 0.18 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0934
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No