Information card for entry 4127190

Structure parameters

• Formula: C6 H16 I4 N2 Pb
• Calculated formula: C6 H16 I4 N2 Pb
• 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: 8.6732 Å
• b: 18.4268 Å
• c: 20.4522 Å
• α: 90°
• β: 99.306°
• γ: 90°
• Cell volume: 3225.64 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.1471
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for significantly intense reflections: 3.12
• Goodness-of-fit parameter for all reflections included in the refinement: 2.43
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No