Information card for entry 4344948

Structure parameters

• Common name: Isopropylammonium Tin Iodide
• Formula: C12 H30 I7 N3 Sn2
• Calculated formula: C12 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: 6.481 ± 0.003 Å
• b: 6.481 ± 0.003 Å
• c: 36.58 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1536.5 ± 1.6 ų
• Cell temperature: 400 K
• Ambient diffraction temperature: 400 K
• Number of distinct elements: 5
• Space group number: 107
• Hermann-Mauguin space group symbol: I 4 m m
• Hall space group symbol: I 4 -2
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for significantly intense reflections: 1.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No