Information card for entry 1500046

Structure parameters

• Formula: C40 H52 Ag2 F6 N O7 P S4
• Calculated formula: C40 H52 Ag2 F6 N O7 P S4
• SMILES: [Ag]1([S](Cc2ccccc2)CCOCCOCC[S]1Cc1ccccc1)ON(=[O][Ag]1[S](Cc2ccccc2)CCOCCOCC[S]1Cc1ccccc1)=O.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: S2O2 donor cyclic and acyclic ionophores: Potentiometric sensing for Ag(i) and a new nitrate-bridged dimeric Ag(i) complex of the acyclic ionophore with an unusual structure
• Authors of publication: Yoon, Il; Lee, Yoon Hee; Lee, Shim Sung; Lee, Sang Cheol; Park, Sung Bae
• Journal of publication: The Analyst
• Year of publication: 2001
• Journal volume: 126
• Journal issue: 10
• Pages of publication: 1773
• a: 23.8522 ± 0.0015 Å
• b: 7.531 ± 0.0004 Å
• c: 14.0178 ± 0.0008 Å
• α: 90°
• β: 106.009 ± 0.002°
• γ: 90°
• Cell volume: 2420.4 ± 0.2 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 8
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No