Information card for entry 4127637

Structure parameters

• Formula: C57 H102 I21 N9 Pb6
• Calculated formula: C57 H80 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: 12.3924 ± 0.0002 Å
• b: 19.654 ± 0.0004 Å
• c: 23.3396 ± 0.0006 Å
• α: 80.405 ± 0.002°
• β: 82.793 ± 0.002°
• γ: 71.672 ± 0.0018°
• Cell volume: 5304.5 ± 0.2 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 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: 0.097
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.2369
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No