Information card for entry 4128315

Structure parameters

• Common name: DJ_373K
• Formula: C6 H16 I4 N2 Pb
• Calculated formula: C6 H16 I4 N2 Pb
• Title of publication: Ferroelectricity and Rashba Effect in a Two-Dimensional Dion-Jacobson Hybrid Organic-Inorganic Perovskite.
• Authors of publication: Park, In-Hyeok; Zhang, Qiannan; Kwon, Ki Chang; Zhu, Ziyu; Yu, Wei; Leng, Kai; Giovanni, David; Choi, Hwa Seob; Abdelwahab, Ibrahim; Xu, Qing-Hua; Sum, Tze Chien; Loh, Kian Ping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 40
• Pages of publication: 15972 - 15976
• a: 10.6173 ± 0.0014 Å
• b: 12.54 ± 0.0018 Å
• c: 12.53 ± 0.002 Å
• α: 90°
• β: 89.983 ± 0.006°
• γ: 90°
• Cell volume: 1668.3 ± 0.4 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 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: 0.1327
• Residual factor for significantly intense reflections: 0.1234
• Weighted residual factors for significantly intense reflections: 0.3313
• Weighted residual factors for all reflections included in the refinement: 0.3423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No