Information card for entry 4132054

Structure parameters

• Common name: 44% ethylenediamonium methylamonium lead iodide
• Formula: C H0 I3 N Pb0.818
• Calculated formula: C I3 N0.9996 Pb0.818
• 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: 6.342 ± 0.003 Å
• b: 6.342 ± 0.003 Å
• c: 6.342 ± 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: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for significantly intense reflections: 2.37
• Goodness-of-fit parameter for all reflections included in the refinement: 2.26
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No