Information card for entry 4128390

Structure parameters

• Common name: Hexylammonium Methylammonium Lead iodide
• Formula: C14 H44 I10 N4 Pb3
• Calculated formula: C14 H44 I10 N4 Pb3
• 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: 28.1426 ± 0.0002 Å
• b: 8.9413 ± 0.0001 Å
• c: 8.9025 ± 0.0005 Å
• α: 90°
• β: 94.5632 ± 0.001°
• γ: 90°
• Cell volume: 2233.05 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for significantly intense reflections: 1.66
• Goodness-of-fit parameter for all reflections included in the refinement: 1.47
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No