Information card for entry 1577096

Structure parameters

• Formula: C6 H8 I6 N3 Pb2
• Calculated formula: C6 H9 I6 N3 Pb2
• Title of publication: Centimeter-Sized Single Crystals of 3D Perovskitiod (4-AP)Pb2X6 (X = Br, I) for Efficient and Stable X-ray Detection
• Authors of publication: Dai, Hongliang; Zhu, Zeng-Kui; You, Shihai; Luo, Junhua
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 25.505 ± 0.0012 Å
• b: 16.5271 ± 0.0009 Å
• c: 10.0933 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4254.6 ± 0.4 ų
• Cell temperature: 295 ± 0.1 K
• Ambient diffraction temperature: 295 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No