Information card for entry 7028587

Structure parameters

• Formula: C52 H46 Ag F3 N8 O2
• Calculated formula: C52 H46 Ag F3 N8 O2
• SMILES: [Ag]([n]1ccn(c2ccc(/C=C/C3=CC(=C(C#N)C#N)CC(C)(C)C3)cc2)c1)([n]1ccn(c1)c1ccc(cc1)/C=C/C1=CC(=C(C#N)C#N)CC(C1)(C)C)OC(=O)C(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: 9.667 ± 0.005 Å
• b: 11.899 ± 0.005 Å
• c: 21.743 ± 0.005 Å
• α: 93.227 ± 0.005°
• β: 99.083 ± 0.005°
• γ: 100.103 ± 0.005°
• Cell volume: 2422.3 ± 1.7 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: 0.0818
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.2099
• Weighted residual factors for all reflections included in the refinement: 0.2303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No