Information card for entry 4516199

Structure parameters

• Formula: C4 H16 I4 N2 O2 Sn
• Calculated formula: C4 H16 I4 N2 O2 Sn
• SMILES: C(O)C[NH3+].I[Sn](I)([I-])[I-].C(C[NH3+])O
• Title of publication: Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells
• Authors of publication: Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang
• Journal of publication: ACS Energy Letters
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 2077
• a: 10.1959 ± 0.0002 Å
• b: 9.0234 ± 0.0002 Å
• c: 8.9297 ± 0.0002 Å
• α: 90°
• β: 100.36 ± 0.001°
• γ: 90°
• Cell volume: 808.15 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No