Information card for entry 7132913

Structure parameters

• Formula: C10 H14 Br4 F N2 Zn
• Calculated formula: C10 H14 Br4 F N2 Zn
• SMILES: Br[Zn](Br)([Br-])[Br-].Fc1c(N2CC[NH2+]CC2)cccc1
• Title of publication: Exploring 0D lead-free metal halide with highly efficient blue light emission and high-sensitivity photodetection.
• Authors of publication: Wang, Yu-Yin; Kang, Huai-Yuan; Zhang, Shao-Ya; Qu, Hao; Zhu, Lin; Zhao, Dan; Li, Xian-Feng; Lei, Xiao-Wu; Yue, Cheng-Yang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 20
• Pages of publication: 2784 - 2787
• a: 8.0955 ± 0.0003 Å
• b: 20.9526 ± 0.0008 Å
• c: 9.8012 ± 0.0003 Å
• α: 90°
• β: 102.25 ± 0.001°
• γ: 90°
• Cell volume: 1624.64 ± 0.1 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No