Information card for entry 7037321

Structure parameters

• Formula: C72 H70 Cl2 Cu2 N6 O8 P4
• Calculated formula: C72 H70 Cl2 Cu2 N6 O8 P4
• SMILES: c1cccc2c3cc[nH][n]3[Cu]3([n]12)[P](CCCC[P](c1ccccc1)(c1ccccc1)[Cu]1([n]2ccccc2c2cc[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: 13.8416 ± 0.0005 Å
• b: 16.4056 ± 0.0005 Å
• c: 16.1781 ± 0.0005 Å
• α: 90°
• β: 103.747 ± 0.002°
• γ: 90°
• Cell volume: 3568.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1772
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No