Information card for entry 1508615

Structure parameters

• Formula: C62 H64 Ag F3 N4 O8 S
• Calculated formula: C62 H64 Ag F3 N4 O8 S
• SMILES: [Ag]123[N]4(CC[N]1(CC[N]2(CC[N]3(CC4)Cc1ccc(cc1)Oc1ccccc1)Cc1ccc(cc1)Oc1ccccc1)Cc1ccc(cc1)Oc1ccccc1)Cc1ccc(cc1)Oc1ccccc1.C(F)(F)(F)S(=O)(=O)[O-].CO
• 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: 10.1935 ± 0.001 Å
• b: 10.3796 ± 0.0011 Å
• c: 13.4375 ± 0.0014 Å
• α: 79.073 ± 0.002°
• β: 84 ± 0.002°
• γ: 81.856 ± 0.002°
• Cell volume: 1377.5 ± 0.2 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2013
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No