Information card for entry 7021345

Structure parameters

• Formula: C53 H48 Ag F7 N4 O3 S
• Calculated formula: C53 H48 Ag F7 N4 O3 S
• SMILES: [Ag]1234[N]5(CC[N]1(CC[N]2(CC[N]3(CC5)Cc1c2ccccc2cc2C=CC=[CH]4c12)Cc1cc(F)cc(F)c1)Cc1c2ccccc2cc2ccccc12)Cc1cc(F)cc(F)c1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Argentivorous molecules with two kinds of aromatic side-arms: intramolecular competition between side-arms.
• Authors of publication: Habata, Yoichi; Oyama, Yosuke; Ikeda, Mari; Kuwahara, Shunsuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 8212 - 8217
• a: 14.8401 ± 0.0008 Å
• b: 14.3569 ± 0.0008 Å
• c: 23.2128 ± 0.0011 Å
• α: 90°
• β: 112.169 ± 0.003°
• γ: 90°
• Cell volume: 4580.1 ± 0.4 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 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: 0.0357
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No