Information card for entry 4128388

Structure parameters

• Common name: Hexylammonium Methylammonium Lead iodide
• Formula: C15 H50 I13 N5 Pb4
• Calculated formula: C15 H50 I13 N5 Pb4
• 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: 68.752 ± 0.008 Å
• b: 8.9445 ± 0.0009 Å
• c: 8.8984 ± 0.0009 Å
• α: 90°
• β: 93.77 ± 0.005°
• γ: 90°
• Cell volume: 5460.2 ± 1 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: 0.111
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.2263
• Goodness-of-fit parameter for significantly intense reflections: 2.67
• Goodness-of-fit parameter for all reflections included in the refinement: 2.32
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No