Information card for entry 4344950

Structure parameters

• Common name: DiGuanidinium Tin Iodide
• Formula: C2 H12 I4 N6 Sn
• Calculated formula: C2 H12 I4 N6 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: 9.2941 ± 0.0004 Å
• b: 26.9386 ± 0.0012 Å
• c: 12.8895 ± 0.0006 Å
• α: 90°
• β: 90.114 ± 0.004°
• γ: 90°
• Cell volume: 3227.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No