Information card for entry 2107267

Structure parameters

• Common name: 4-chlorobenzylammonium lead iodide
• Formula: C5.6 H7.2 Cl0.8 I1.6 N0.8 Pb0.4
• Calculated formula: C5.6 H7.2 Cl0.8 I1.6 N0.8 Pb0.4
• Title of publication: Structural diversity in hybrid organic‒inorganic lead iodide materials
• Authors of publication: Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 668 - 678
• a: 8.5992 ± 0.0003 Å
• b: 8.9125 ± 0.0003 Å
• c: 15.8039 ± 0.0006 Å
• α: 90°
• β: 95.502 ± 0.003°
• γ: 90°
• Cell volume: 1205.64 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes