Information card for entry 7706466

Structure parameters

• Formula: C18 H28 I4 N2 O2 Pb
• Calculated formula: C18 H28 I4 N2 O2 Pb
• Title of publication: Temperature-responsive emission and elastic properties of a new 2D lead halide perovskite.
• Authors of publication: Fan, Jia-Hui; Qin, Yan; Azeem, Muhammad; Zhang, Zhuo-Zhen; Li, Zhi-Gang; Sun, Na; Yao, Zhao-Quan; Li, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 2648 - 2653
• a: 12.2659 ± 0.0002 Å
• b: 12.3518 ± 0.0002 Å
• c: 18.4045 ± 0.0002 Å
• α: 80.443 ± 0.001°
• β: 81.138 ± 0.001°
• γ: 89.995 ± 0.001°
• Cell volume: 2715.94 ± 0.07 ų
• Cell temperature: 223 ± 0.1 K
• Ambient diffraction temperature: 223 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No