Information card for entry 4131707

Structure parameters

• Common name: Guanidinium Methylammonium Lead Iodide
• Formula: C2 H12 I4 N4 Pb
• Calculated formula: C2 H14 I4 N4 Pb
• Title of publication: New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH₂)₃)(CH₃NH₃)_nPb_nI_3n+1: Structure, Properties, and Photovoltaic Performance.
• Authors of publication: Soe, Chan Myae Myae; Stoumpos, Constantinos C.; Kepenekian, Mikaël; Traoré, Boubacar; Tsai, Hsinhan; Nie, Wanyi; Wang, Binghao; Katan, Claudine; Seshadri, Ram; Mohite, Aditya D.; Even, Jacky; Marks, Tobin J.; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 45
• Pages of publication: 16297 - 16309
• a: 6.4286 ± 0.0006 Å
• b: 12.4577 ± 0.0009 Å
• c: 18.8258 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1507.7 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for significantly intense reflections: 3.6
• Goodness-of-fit parameter for all reflections included in the refinement: 3.18
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No