Information card for entry 7714223

Structure parameters

• Formula: C84 H70 Cl2 Cu2 N5 O8 P4
• Calculated formula: C84 H70 Cl2 Cu2 N5 O8 P4
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2n3[n]([Cu]([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)[n]4ccccc34)cc2c2cccc[n]12.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis, structure and photoluminescence of Cu(I) complexes containing new functionalized 1,2,3-triazole ligands
• Authors of publication: Wang, Li-Xin; Cheng, Shun-Cheung; Liu, Yingying; Leung, Chi-Fai; Liu, Jiyan; Ko, Chi-Chiu; Lau, Tai-Chu; Xiang, Jing
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.809 ± 0.003 Å
• b: 13.334 ± 0.003 Å
• c: 13.599 ± 0.003 Å
• α: 111.45 ± 0.03°
• β: 91.19 ± 0.03°
• γ: 113.6 ± 0.03°
• Cell volume: 1942.5 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1486
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2309
• Weighted residual factors for all reflections included in the refinement: 0.2804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No