Information card for entry 4132053

Structure parameters

• Common name: 44% ethylenediamonium methylamonium lead iodide
• Formula: C H6 I3 N Pb0.815
• Calculated formula: C H6 I3 N Pb0.815
• Title of publication: Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites.
• Authors of publication: Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 17
• Pages of publication: 5728 - 5742
• a: 6.343 ± 0.003 Å
• b: 6.343 ± 0.003 Å
• c: 6.34 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 255.1 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 99
• Hermann-Mauguin space group symbol: P 4 m m
• Hall space group symbol: P 4 -2
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for significantly intense reflections: 1.26
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No