Information card for entry 7714224

Structure parameters

• Formula: C43 H34 Cl Cu N4 O5 P2
• Calculated formula: C43 H34 Cl Cu N4 O5 P2
• 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: 11.535 ± 0.003 Å
• b: 25.303 ± 0.006 Å
• c: 14.45 ± 0.003 Å
• α: 90°
• β: 98.253 ± 0.005°
• γ: 90°
• Cell volume: 4173.8 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No