Information card for entry 4132391

Structure parameters

• Formula: C44 H36 I4 N2 O2 Pb
• Calculated formula: C44 H36 I4 N2 O2 Pb
• Title of publication: Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.
• Authors of publication: Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 23
• Pages of publication: 7313 - 7323
• a: 26.2885 ± 0.0009 Å
• b: 8.8634 ± 0.0003 Å
• c: 8.7105 ± 0.0003 Å
• α: 90°
• β: 94.287 ± 0.002°
• γ: 90°
• Cell volume: 2023.92 ± 0.12 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299.09 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: 0.0496
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No