Information card for entry 4345097

Structure parameters

• Chemical name: bis(4-fluorophenethylammonium) bis(methylammonium) decaiodo triplumbate
• Formula: C18 H34 F2 I10 N4 Pb3
• Calculated formula: C18 H22 F2 I10 N4 Pb3
• Title of publication: Chemical Approaches to Addressing the Instability and Toxicity of Lead-Halide Perovskite Absorbers.
• Authors of publication: Slavney, Adam H.; Smaha, Rebecca W.; Smith, Ian C.; Jaffe, Adam; Umeyama, Daiki; Karunadasa, Hemamala I.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 46 - 55
• a: 29.0119 ± 0.0018 Å
• b: 8.6827 ± 0.0005 Å
• c: 8.7609 ± 0.0006 Å
• α: 90°
• β: 95.003 ± 0.004°
• γ: 90°
• Cell volume: 2198.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 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: 0.1086
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No