Information card for entry 7134440

Structure parameters

• Chemical name: Cesium guanidinium lead tetraiodide
• Formula: C H6 Cs I4 N3 Pb
• Calculated formula: C H6 Cs I4 N3 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: 17.475 ± 0.019 Å
• b: 11.8768 ± 0.0005 Å
• c: 11.5309 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2393 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 4510000 ± 30000 kPa
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No