Information card for entry 7215844

Structure parameters

• Formula: C38 H36 Cu3 I3 N2 P2
• Calculated formula: C38 H36 Cu3 I3 N2 P2
• SMILES: [Cu]123[I]4[Cu]56([Cu]4([I]15)([I]6)[n]1c(CC[P]3(c3ccccc3)c3ccccc3)cccc1)[n]1c(CC[P]2(c2ccccc2)c2ccccc2)cccc1
• 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: 10.1854 ± 0.0012 Å
• b: 13.224 ± 0.003 Å
• c: 28.904 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3893.1 ± 1.3 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No