Information card for entry 4345096

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: 29.164 ± 0.005 Å
• b: 8.7654 ± 0.0014 Å
• c: 8.8626 ± 0.0014 Å
• α: 90°
• β: 94.738 ± 0.004°
• γ: 90°
• Cell volume: 2257.8 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0611
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No