Information card for entry 4132052

Structure parameters

• Common name: ethylenediamonium lead iodide
• Formula: C2 H12 I4 N2 O2 Pb
• Calculated formula: C2 H12 I4 N2 O2 Pb
• 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: 16.492 ± 0.003 Å
• b: 4.7532 ± 0.0011 Å
• c: 10.4165 ± 0.0018 Å
• α: 90°
• β: 113.907 ± 0.012°
• γ: 90°
• Cell volume: 746.5 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for significantly intense reflections: 3.61
• Goodness-of-fit parameter for all reflections included in the refinement: 3.36
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No