Information card for entry 1519437

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: 5.4158 ± 0.0007 Å
• b: 5.4438 ± 0.0007 Å
• c: 35.809 ± 0.004 Å
• α: 90°
• β: 93.3655 ± 0.0017°
• γ: 90°
• Cell volume: 1053.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 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: 0.0537
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.6888 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No