Information card for entry 7006787

Structure parameters

• Formula: C34 H50 Ag2 F6 N6 O6 S8
• Calculated formula: C34 H50 Ag2 F6 N6 O6 S8
• SMILES: C1C[N]23Cc4c[n](ccc4)[Ag]45[N]6(CC[S]4CCSCC[S]5CC6)Cc4c[n]([Ag]53[S]1CCSCC[S]5CC2)ccc4.FC(F)(S(=O)(=O)[O-])F.N#CC.FC(F)(F)S(=O)(=O)[O-].N#CC
• Title of publication: Dimetallo[3.3]para- and metacyclophanes by self-assembly of pyridylmethyl armed-monoazatrithia- and monoazadithiaoxa-12-crown-4 ethers with Ag+ ions.
• Authors of publication: Habata, Yoichi; Osaka, Futoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 15
• Pages of publication: 1836 - 1841
• a: 14.4836 ± 0.0008 Å
• b: 12.5433 ± 0.0007 Å
• c: 13.727 ± 0.0008 Å
• α: 90°
• β: 108.815 ± 0.001°
• γ: 90°
• Cell volume: 2360.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0418
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No