Information card for entry 4344952

Structure parameters

• Common name: Acetamidinium Tin Iodide
• Formula: C2 H7 I3 N2 Sn
• Calculated formula: C2 H7 I3 N2 Sn
• SMILES: [Sn](I)(I)[I-].C(=[NH2+])(C)N
• 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: 12.7484 ± 0.0005 Å
• b: 9.2801 ± 0.0004 Å
• c: 14.7064 ± 0.0006 Å
• α: 90°
• β: 112.211 ± 0.003°
• γ: 90°
• Cell volume: 1610.76 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No