Information card for entry 4334004

Structure parameters

• Formula: C23 H28 Ag F7 N4 O3 S
• Calculated formula: C23 H28 Ag F7 N4 O3 S
• SMILES: [Ag]123([N]4(Cc5cc(F)cc(c5)F)CC[NH]2CC[N]3(Cc2cc(cc(c2)F)F)CC[NH]1CC4)OS(=O)(=O)C(F)(F)F
• Title of publication: Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution
• Authors of publication: Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2542 - 2549
• a: 20.7362 ± 0.0019 Å
• b: 10.8673 ± 0.001 Å
• c: 12.0256 ± 0.0011 Å
• α: 90°
• β: 100.386 ± 0.002°
• γ: 90°
• Cell volume: 2665.5 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No