Information card for entry 4128391

Structure parameters

• Common name: Hexylammonium Methylammonium Lead iodide
• Formula: C13 H38 I7 N3 Pb2
• Calculated formula: C13 H38 I7 N3 Pb2
• Title of publication: Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.
• Authors of publication: Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 13
• Pages of publication: 5518 - 5534
• a: 45.3552 ± 0.0008 Å
• b: 8.9209 ± 0.0002 Å
• c: 8.8062 ± 0.0002 Å
• α: 90°
• β: 98.2088 ± 0.0008°
• γ: 90°
• Cell volume: 3526.56 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for significantly intense reflections: 1.73
• Goodness-of-fit parameter for all reflections included in the refinement: 1.63
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No