Information card for entry 4132392

Structure parameters

• Formula: C56 H70 I8 N4 O6 Pb2
• Calculated formula: C56 H70 I8 N4 O6 Pb2
• 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: 12.4181 ± 0.0003 Å
• b: 12.5652 ± 0.0004 Å
• c: 23.8888 ± 0.0007 Å
• α: 101.096 ± 0.0019°
• β: 104.074 ± 0.0019°
• γ: 90.7065 ± 0.0018°
• Cell volume: 3541.18 ± 0.18 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299.11 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No