Information card for entry 7720404

Structure parameters

• Formula: C5 H5 Br3 Cl N Pb
• Calculated formula: C5 H5 Br3 Cl N Pb
• Title of publication: Structural and optoelectronic properties of quasi-1D hybrid 3-halogenopyridinium lead bromides.
• Authors of publication: Selivanov, N. I.; Kevorkyants, R.; Emeline, A. V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2232 - 2241
• a: 9.221 ± 0.0004 Å
• b: 8.0654 ± 0.0003 Å
• c: 15.8229 ± 0.0006 Å
• α: 90°
• β: 104.415 ± 0.004°
• γ: 90°
• Cell volume: 1139.72 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0621
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No