Information card for entry 4127636

Structure parameters

• Formula: C57 H102 I21 N9 Pb6
• Calculated formula: C57 H70.5 I21 N9 Pb6
• Title of publication: Bulk Photovoltaic Effect in a Pair of Chiral-Polar Layered Perovskite-Type Lead Iodides Altered by Chirality of Organic Cations.
• Authors of publication: Huang, Po-Jung; Taniguchi, Kouji; Miyasaka, Hitoshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 37
• Pages of publication: 14520 - 14523
• a: 12.405 Å
• b: 19.6581 Å
• c: 23.3427 Å
• α: 80.297°
• β: 82.671°
• γ: 71.668°
• Cell volume: 5309.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No