Information card for entry 4127192

Structure parameters

• Formula: C16 H56 I20 N8 Pb6
• Calculated formula: C16 H56 I20 N8 Pb6
• Title of publication: Hybrid Dion-Jacobson 2D Lead Iodide Perovskites.
• Authors of publication: Mao, Lingling; Ke, Weijun; Pedesseau, Laurent; Wu, Yilei; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 8.862 Å
• b: 8.862 Å
• c: 23.032 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1808.82 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 a 1
• Hall space group symbol: P -2ya
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No