Information card for entry 7134428

Structure parameters

• Chemical name: Guanidinium lead(II) tetraiodide
• Formula: C2 H12 I4 N6 Pb
• Calculated formula: C2 H12 I4 N6 Pb
• Title of publication: Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites
• Authors of publication: Drushliak, Viktoriia; Szafrański, Marek
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 44
• Pages of publication: 8019 - 8022
• a: 12.742 ± 0.006 Å
• b: 26.914 ± 0.0017 Å
• c: 9.2472 ± 0.0004 Å
• α: 90°
• β: 88.992 ± 0.011°
• γ: 90°
• Cell volume: 3170.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 150000 ± 30000 kPa
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1311
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No