Information card for entry 4518386

Structure parameters

• Formula: C8 H18 I6 N2 O2 Pb2
• Calculated formula: C8 H18 I6 N2 O2 Pb2
• Title of publication: Unravelling the Behavior of Dion‒Jacobson Layered Hybrid Perovskites in Humid Environments
• Authors of publication: Dučinskas, Algirdas; Kim, Gee Yeong; Moia, Davide; Senocrate, Alessandro; Wang, Ya-Ru; Hope, Michael A.; Mishra, Aditya; Kubicki, Dominik J.; Siczek, Miłosz; Bury, Wojciech; Schneeberger, Thomas; Emsley, Lyndon; Milić, Jovana V.; Maier, Joachim; Grätzel, Michael
• Journal of publication: ACS Energy Letters
• Year of publication: 2020
• Pages of publication: 337 - 344
• a: 4.559 ± 0.003 Å
• b: 18.958 ± 0.005 Å
• c: 13.781 ± 0.003 Å
• α: 90°
• β: 98.94 ± 0.02°
• γ: 90°
• Cell volume: 1176.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0145
• Residual factor for significantly intense reflections: 0.0133
• Weighted residual factors for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections included in the refinement: 0.0297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No