Information card for entry 7006716

Structure parameters

• Formula: C34 H50 Ag2 F6 N2 O6 S8
• Calculated formula: C34 H50 Ag2 F6 N2 O6 S8
• SMILES: C1C[S]2CC[N]3(CC[S]4CC[S](CC[S]5CC[N]6(CC[S]7CC[S]1[Ag]567)CCc1ccccc1)[Ag]234)CCc1ccccc1.FC(S(=O)(=O)[O-])(F)F.FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Synthesis of diazahexathia-24-crown-8 derivatives and structures of Ag+ complexes.
• Authors of publication: Habata, Yoichi; Seo, Joobeom; Otawa, Satoshi; Osaka, Futoshi; Noto, Kanae; Sung Lee, Shim
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 18
• Pages of publication: 2202 - 2206
• a: 6.4971 ± 0.0003 Å
• b: 17.1739 ± 0.0009 Å
• c: 19.2924 ± 0.001 Å
• α: 90°
• β: 90.845 ± 0.001°
• γ: 90°
• Cell volume: 2152.42 ± 0.19 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0402
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No