Information card for entry 4313062

Structure parameters

• Formula: C24 H16 Ag2 F6 N4 O4 S2
• Calculated formula: C24 H16 Ag2 F6 N4 O4 S2
• SMILES: [Ag]1([n]2c(cccc2)Sc2cc[n]([Ag]([n]3c(Sc4cc[n]1cc4)cccc3)OC(=O)C(F)(F)F)cc2)OC(=O)C(F)(F)F
• Title of publication: Subtle Role of Polyatomic Anions in Molecular Construction: Structures and Properties of AgX Bearing 2,4'-Thiobis(pyridine) (X-= NO3-, BF4-, ClO4-, PF6-, CF3CO2-, and CF3SO3-)
• Authors of publication: Ok-Sang Jung; Yun Ju Kim; Young-A Lee; Ki-Min Park; Shim Sung Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 844 - 850
• a: 15.894 ± 0.006 Å
• b: 9.9092 ± 0.0013 Å
• c: 17.518 ± 0.003 Å
• α: 90 ± 0.012°
• β: 97.8 ± 0.2°
• γ: 90 ± 0.02°
• Cell volume: 2733.5 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No