Information card for entry 7719928

Structure parameters

• Formula: C38 H36 Br4 P2 Zn
• Calculated formula: C38 H35.9994 Br4 P2 Zn
• Title of publication: A Cu±Doped Zinc Organic Halide with Temperature-Dependent Dual-color Emission as Thermochromic Molecular Thermometer
• Authors of publication: Wu, Yu-Fang; Li, Ya-Hui; Sui, Zhi-Meng; Wei, Yu-Kun; Wei, Rui-Han; Chen, Xiao; Yang, Xiao-Hua; Chen, Zhi-Wei; Jing, Zhihong; Yue, Cheng-Yang
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• a: 10.865 ± 0.002 Å
• b: 10.865 ± 0.002 Å
• c: 58.926 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6024 ± 2 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No