Information card for entry 7006717

Structure parameters

• Formula: C32 H42 Ag2 Cl4 F6 N2 O6 S8
• Calculated formula: C32 H42 Ag2 Cl4 F6 N2 O6 S8
• SMILES: C1C[S]2CC[S]3CC[S]4CC[N]5(CC[S](CC[S]6CC[S]7CC[N]1(Cc1cc(cc(c1)Cl)Cl)[Ag]267)[Ag]345)Cc1cc(cc(c1)Cl)Cl.FC(F)(F)S(=O)(=O)[O-].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: 8.4064 ± 0.0005 Å
• b: 10.4171 ± 0.0006 Å
• c: 13.991 ± 0.0008 Å
• α: 70.325 ± 0.001°
• β: 81.888 ± 0.001°
• γ: 79.243 ± 0.001°
• Cell volume: 1129.33 ± 0.11 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No