Information card for entry 4344945

Structure parameters

• Common name: Imidazolium Tin Iodide
• Formula: C3 H5 I3 N2 Sn
• Calculated formula: C3 I3 N2.0001 Sn
• 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: 9.2735 ± 0.0013 Å
• b: 9.2735 ± 0.0013 Å
• c: 34.924 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2601 ± 0.7 ų
• Cell temperature: 400 K
• Ambient diffraction temperature: 400 K
• Number of distinct elements: 5
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for significantly intense reflections: 2.99
• Goodness-of-fit parameter for all reflections included in the refinement: 2.29
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No