Information card for entry 1519438

Structure parameters

• Common name: DS157
• Formula: C8 H20 Br8 N2 Pb
• Calculated formula: C8 H20 Br8 N2 Pb
• Title of publication: Post-synthetic halide conversion and selective halogen capture in hybrid perovskites
• Authors of publication: Solis-Ibarra, D.; Smith, I. C.; Karunadasa, H. I.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 4054
• a: 7.9735 ± 0.0009 Å
• b: 8.3877 ± 0.001 Å
• c: 16.775 ± 0.002 Å
• α: 95.611 ± 0.004°
• β: 95.889 ± 0.004°
• γ: 90.377 ± 0.003°
• Cell volume: 1110.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No