Information card for entry 7714330

Structure parameters

• Formula: C6 H10 I4 N2 Sn
• Calculated formula: C6 H10 I4 N2 Sn
• SMILES: [I-].I[Sn](I)[I][Sn](I)(I)I.[I-].c1c[nH+]cc(c1)C[NH3+].c1c[nH+]cc(c1)C[NH3+]
• Title of publication: Diammonium Spacer-Induced Stable Zigzag Type 2D Dion-Jacobson Lead/Tin-Based Perovskite Solar Cells
• Authors of publication: Jung, Mi Hee
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.496 ± 0.0019 Å
• b: 12.83 ± 0.003 Å
• c: 24.979 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3043.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No