Information card for entry 7215843

Structure parameters

• Formula: C42 H32 Cu2 I2 N2 P2
• Calculated formula: C42 H32 Cu2 I2 N2 P2
• SMILES: [Cu]123([Cu]4([I]1)([I]2)[P](c1cccc2ccc[n]4c12)(c1ccccc1)c1ccccc1)[P](c1cccc2ccc[n]3c12)(c1ccccc1)c1ccccc1
• Title of publication: Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand
• Authors of publication: Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 5338
• a: 38.973 ± 0.008 Å
• b: 11.992 ± 0.002 Å
• c: 17.704 ± 0.004 Å
• α: 90°
• β: 105.94 ± 0.03°
• γ: 90°
• Cell volume: 7956 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.358
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No