Information card for entry 7241116

Structure parameters

• Chemical name: C18H36N4I10Pb3
• Formula: C18 H36 I10 N4 Pb3
• Calculated formula: C25 I10 N2 Pb3
• 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: 8.8201 ± 0.0014 Å
• b: 8.8198 ± 0.0014 Å
• c: 29.038 ± 0.005 Å
• α: 93.198 ± 0.002°
• β: 95.495 ± 0.002°
• γ: 90.123 ± 0.002°
• Cell volume: 2245 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.083
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No