Information card for entry 7241115

Structure parameters

• 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: 32.824 ± 0.006 Å
• b: 6.1669 ± 0.0011 Å
• c: 6.2114 ± 0.0011 Å
• α: 90°
• β: 93.205 ± 0.002°
• γ: 90°
• Cell volume: 1255.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No