Information card for entry 1508612

Structure parameters

• Formula: C38 H41 Ag Cl3 F7 N4 O3 S
• Calculated formula: C38 H41 Ag Cl3 F7 N4 O3 S
• SMILES: [Ag]123[N]4(CC[N]1(Cc1ccc(F)cc1)CC[N]3(Cc1ccc(F)cc1)CC[N]2(Cc1ccc(F)cc1)CC4)Cc1ccc(F)cc1.S(=O)(=O)([O-])C(F)(F)F.ClC(Cl)Cl
• Title of publication: Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.
• Authors of publication: Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4576 - 4579
• a: 9.8526 ± 0.0017 Å
• b: 10.1866 ± 0.0018 Å
• c: 21.14 ± 0.004 Å
• α: 103.865 ± 0.003°
• β: 96.623 ± 0.004°
• γ: 93.972 ± 0.003°
• Cell volume: 2035.8 ± 0.6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No