Information card for entry 7714328

Structure parameters

• Formula: C12 H20 I6 N4 Pb
• Calculated formula: C12 H20 I6 N4 Pb
• 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: 8.67 ± 0.0017 Å
• b: 8.78 ± 0.0018 Å
• c: 10.557 ± 0.002 Å
• α: 91.1 ± 0.03°
• β: 108.87 ± 0.03°
• γ: 112.65 ± 0.03°
• Cell volume: 692.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.418
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No