Information card for entry 7714220

Structure parameters

• Formula: C43 H36 Cl Cu N4 O4 P2
• Calculated formula: C43 H36 Cl Cu N4 O4 P2
• SMILES: c1c2c3cccc[n]3[Cu]([n]2n[nH]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.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: 11.6082 ± 0.0009 Å
• b: 12.6678 ± 0.0014 Å
• c: 14.4672 ± 0.0011 Å
• α: 96.31 ± 0.008°
• β: 109.918 ± 0.007°
• γ: 94.522 ± 0.008°
• Cell volume: 1972.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1029
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No