Information card for entry 4334007

Structure parameters

• Formula: C48 H54 Ag F3 N6 O4 S
• Calculated formula: C48 H48 Ag F3 N6 O4 S
• SMILES: [Ag]1234[CH]5=C(C[N]61CC[NH]2CC[N]3(CC[NH]4CC6)Cc1ccc(cc1)N(c1ccccc1)c1ccccc1)C=CC(=C5)N(c1ccccc1)c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-].CO
• 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: 10.1046 ± 0.0009 Å
• b: 9.942 ± 0.0008 Å
• c: 22.717 ± 0.002 Å
• α: 90°
• β: 99.837 ± 0.002°
• γ: 90°
• Cell volume: 2248.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1781
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No