Information card for entry 4132050

Structure parameters

• Common name: ethylenediamonium iodide
• Formula: C2 H10 I2 N2
• Calculated formula: C2 H9 I2 N2
• 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: 15.54 ± 0.002 Å
• b: 5.0795 ± 0.0006 Å
• c: 5.0964 ± 0.0007 Å
• α: 90°
• β: 96.032 ± 0.011°
• γ: 90°
• Cell volume: 400.06 ± 0.09 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for significantly intense reflections: 3.38
• Goodness-of-fit parameter for all reflections included in the refinement: 3.24
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No