Information card for entry 7028589

Structure parameters

• Formula: C42 H38 Ag N11 O3
• Calculated formula: C42 H38 Ag N11 O3
• SMILES: c1[n](cn(n1)c1ccc(cc1)/C=C/C1=CC(=C(C#N)C#N)CC(C1)(C)C)[Ag][n]1cnn(c1)c1ccc(cc1)/C=C/C1=CC(=C(C#N)C#N)CC(C1)(C)C.O=N(=O)[O-]
• 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: 26.621 ± 0.005 Å
• b: 7.851 ± 0.005 Å
• c: 18.755 ± 0.005 Å
• α: 90 ± 0.005°
• β: 92.618 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3916 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0434
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No