Information card for entry 4334009

Structure parameters

• Formula: C40 H44 Ag F3 N4 O4 S
• Calculated formula: C40 H40 Ag F3 N4 O4 S
• SMILES: CO.[Ag]123[NH]4CC[N]1(CC[NH]3CC[N]2(Cc1c2c(cc3c1cccc3)cccc2)CC4)Cc1c2c(cc3c1cccc3)cccc2.S(=O)(=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: 10.1283 ± 0.0007 Å
• b: 19.0025 ± 0.0014 Å
• c: 19.4108 ± 0.0014 Å
• α: 90°
• β: 94.619 ± 0.001°
• γ: 90°
• Cell volume: 3723.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0501
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No