Information card for entry 7215845

Structure parameters

• Formula: C31 H27 Cu I N P2
• Calculated formula: C31 H27 Cu I N P2
• SMILES: [Cu]12(I)[n]3c(C[P]1(c1ccccc1)c1ccccc1)cccc3C[P]2(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: 15.983 ± 0.003 Å
• b: 11.391 ± 0.002 Å
• c: 16.357 ± 0.003 Å
• α: 90°
• β: 108.82 ± 0.03°
• γ: 90°
• Cell volume: 2818.8 ± 1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.377
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No