Information card for entry 4344933

Structure parameters

• Chemical name: bis(4-fluorophenethylammonium) (methylammonium) heptaiodo diplumbate
• Formula: C17 H28 F2 I7 N3 Pb2
• Calculated formula: C17 H22 F2 I7 N3 Pb2
• 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: 45.079 ± 0.002 Å
• b: 8.6229 ± 0.0004 Å
• c: 8.744 ± 0.0004 Å
• α: 90°
• β: 94.387 ± 0.002°
• γ: 90°
• Cell volume: 3388.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.6888 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No