Information card for entry 7037323

Structure parameters

• Formula: C74 H68 Cl2 Cu2 F6 N6 O8 P4
• Calculated formula: C74 H68 Cl2 Cu2 F6 N6 O8 P4
• SMILES: c1cc2c3cc(C(F)(F)F)[nH][n]3[Cu]3([n]2cc1)[P](CCCC[P](c1ccccc1)(c1ccccc1)[Cu]1([n]2ccccc2c2cc(C(F)(F)F)[nH][n]12)[P](CCCC[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Luminescent dinuclear copper(i) complexes bearing 1,4-bis(diphenylphosphino)butane and functionalized 3-(2'-pyridyl)pyrazole mixed ligands.
• Authors of publication: Chen, Jing-Lin; Guo, Zong-Hao; Yu, Hua-Guang; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 696 - 705
• a: 13.987 ± 0.004 Å
• b: 16.724 ± 0.005 Å
• c: 20.307 ± 0.005 Å
• α: 90°
• β: 127.657 ± 0.014°
• γ: 90°
• Cell volume: 3760.6 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.2285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No