Information card for entry 1519436

Structure parameters

• Formula: C8 H20 Br4 Cl4 N2 Pb
• Calculated formula: C8 H20 Br4 Cl4 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: 7.792 ± 0.003 Å
• b: 8.315 ± 0.003 Å
• c: 16.462 ± 0.006 Å
• α: 97.337 ± 0.005°
• β: 96.252 ± 0.005°
• γ: 90.184 ± 0.004°
• Cell volume: 1051.4 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.6888 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No