Information card for entry 4344947

Structure parameters

• Common name: Isopropylammonium Tin Iodide
• Formula: C9 H30 I7 N3 Sn2
• Calculated formula: C9 H20 I7 N3 Sn2
• Title of publication: Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.
• Authors of publication: Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 56 - 73
• a: 9.0513 ± 0.001 Å
• b: 9.044 ± 0.0009 Å
• c: 36.226 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2965.5 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A e 2 a
• Hall space group symbol: A -2ab -2ab
• Residual factor for all reflections: 0.2001
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for significantly intense reflections: 1.91
• Goodness-of-fit parameter for all reflections included in the refinement: 1.38
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No