Information card for entry 1508613

Structure parameters

• Formula: C37 H40 Ag F3 N8 O11 S
• Calculated formula: C37 H40 Ag F3 N8 O11 S
• SMILES: [Ag]123[N]4(CC[N]1(CC[N]2(CC[N]3(CC4)Cc1ccc(N(=O)=O)cc1)Cc1ccc(N(=O)=O)cc1)Cc1ccc(N(=O)=O)cc1)Cc1ccc(N(=O)=O)cc1.S(=O)(=O)([O-])C(F)(F)F
• 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: 13.3597 ± 0.0018 Å
• b: 11.0412 ± 0.0015 Å
• c: 18.9587 ± 0.0019 Å
• α: 90°
• β: 133.837 ± 0.006°
• γ: 90°
• Cell volume: 2017.2 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No