Information card for entry 7241117

Structure parameters

• Chemical name: C17H30N3I7Pb2
• Formula: C17 H30 I7 N3 Pb2
• Calculated formula: C7 I7 N2 Pb2
• Title of publication: Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties
• Authors of publication: Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 8.8092 ± 0.0005 Å
• b: 8.8168 ± 0.0004 Å
• c: 22.8196 ± 0.0012 Å
• α: 97.072 ± 0.004°
• β: 93.983 ± 0.004°
• γ: 90.199 ± 0.004°
• Cell volume: 1754.51 ± 0.16 ų
• Cell temperature: 296 ± 0.1 K
• Ambient diffraction temperature: 296 ± 0.1 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: 0.0747
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No