Information card for entry 7241118

Structure parameters

• Chemical name: C16H24I4N2Pb
• Formula: C16 H24 I4 N2 Pb
• Calculated formula: C16 I4 N2 Pb
• 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: 8.7497 ± 0.0008 Å
• b: 8.751 ± 0.0008 Å
• c: 16.683 ± 0.0015 Å
• α: 99.7643 ± 0.001°
• β: 95.2258 ± 0.001°
• γ: 90.3394 ± 0.001°
• Cell volume: 1253.4 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0396
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No