Information card for entry 4516198

Structure parameters

• Formula: C4 H16 I4 N2 O2 Sn
• Calculated formula: C4 H16 I4 N2 O2 Sn
• SMILES: C(CO)[NH3+].I[Sn](I)([I-])[I-].C(CO)[NH3+]
• 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: 13.0062 ± 0.0018 Å
• b: 19.617 ± 0.004 Å
• c: 6.3852 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1629.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No