Information card for entry 4131706

Structure parameters

• Common name: Guanidinium Methylammonium Lead Iodide
• Formula: C3 H18 I7 N5 Pb2
• Calculated formula: C3 H18 I7 N5 Pb2
• 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: 6.3729 ± 0.0004 Å
• b: 12.5435 ± 0.0008 Å
• c: 31.376 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2508.1 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 38
• Hermann-Mauguin space group symbol: B m m 2
• Hall space group symbol: B 2 -2
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for significantly intense reflections: 2.66
• Goodness-of-fit parameter for all reflections included in the refinement: 2.19
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No