Information card for entry 7717983

Structure parameters

• Common name: (3-BrCH2pyH)PbBr3
• Formula: C6 H7 Br4 N Pb
• Calculated formula: C6 H7 Br4 N Pb
• Title of publication: Effect of ring substituent position on the structural and optoelectronic properties of novel quasi low-dimensional hybrid 2-, 3-, and 4-(bromomethyl)pyridinium lead bromides.
• Authors of publication: Chaplygina, D. A.; Patrusheva, O. V.; Chen, C.; Shtareva, A. V.; Stoumpos, C. C.; Kevorkyants, R.; Emeline, A. V.; Shtarev, D. S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 4608 - 4618
• a: 4.3364 ± 0.0003 Å
• b: 19.786 ± 0.0015 Å
• c: 14.1395 ± 0.0011 Å
• α: 90°
• β: 93.675 ± 0.002°
• γ: 90°
• Cell volume: 1210.67 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No