Information card for entry 4518387

Structure parameters

• Formula: C8 H14 I2 N2
• Calculated formula: C8 H14 I2 N2
• 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: 4.534 ± 0.004 Å
• b: 6.307 ± 0.006 Å
• c: 10.575 ± 0.009 Å
• α: 102.06 ± 0.03°
• β: 101.1 ± 0.03°
• γ: 95.6 ± 0.03°
• Cell volume: 287.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No