Information card for entry 7714221

Structure parameters

• Formula: C48 H39 Cl Cu N5 O4 P2
• Calculated formula: C48 H39 Cl Cu N5 O4 P2
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c(c3[n]1n(nc3)c1ncccc1)cccc2.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: 11.1772 ± 0.0005 Å
• b: 12.5873 ± 0.0006 Å
• c: 15.9561 ± 0.0009 Å
• α: 83.654 ± 0.004°
• β: 71.934 ± 0.005°
• γ: 86.1 ± 0.004°
• Cell volume: 2119.77 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No