Information card for entry 7028588

Structure parameters

• Formula: C50 H40 Ag F6 N8 P
• Calculated formula: C50 H40 Ag F6 N8 P
• SMILES: [Ag]([n]1cn(c2ccc(/C=C/C3=CC(=C(C#N)C#N)CC(C3)(C)C)cc2)cc1)[n]1cn(c2ccc(/C=C/C3=CC(=C(C#N)C#N)CC(C3)(C)C)cc2)cc1.[P](F)(F)(F)(F)(F)[F-].c1ccccc1
• Title of publication: Silver(I) supramolecular complexes generated from isophorone-based ligands: crystal structures and enhanced nonlinear optical properties through metal complexation.
• Authors of publication: Zheng, Zheng; Yu, Zhi-Peng; Yang, Ming-Di; Jin, Feng; Ye, Li-Na; Fang, Min; Zhou, Hong-Ping; Wu, Jie-Ying; Tian, Yu-Peng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1139 - 1150
• a: 9.738 ± 0.002 Å
• b: 11.756 ± 0.002 Å
• c: 21.462 ± 0.004 Å
• α: 94.268 ± 0.003°
• β: 96.334 ± 0.003°
• γ: 98.17 ± 0.003°
• Cell volume: 2407 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No