Information card for entry 4001563

Structure parameters

• Formula: C6 H13 Br4 N3 Pb
• Calculated formula: C6 H13 Br4 N3 Pb
• SMILES: C(CCn1cc[nH+]c1)[NH3+].Br[Pb](Br)([Br-])[Br-]
• Title of publication: Novel ⟨ 110⟩ -Oriented Organic−Inorganic Perovskite Compound Stabilized byN-(3-Aminopropyl)imidazole with Improved Optical Properties
• Authors of publication: Li, Y. Y.; Lin, C. K.; Zheng, G. L.; Cheng, Z. Y.; You, H.; Wang, W. D.; Lin, J.
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 3463
• a: 6.1661 ± 0.0003 Å
• b: 27.6363 ± 0.0012 Å
• c: 8.4503 ± 0.0004 Å
• α: 90°
• β: 95.712 ± 0.001°
• γ: 90°
• Cell volume: 1432.85 ± 0.12 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: 0.0688
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No