Information card for entry 7006784

Structure parameters

• Formula: C32 H46 Ag2 Cl6 F6 N4 O8 S6
• Calculated formula: C32 H46 Ag2 Cl6 F6 N4 O8 S6
• SMILES: C1C[S]2CCOCC[S]3CC[N]41[Ag]23[n]1ccc(C[N]23CC[S]5CCOCC[S](CC2)[Ag]35[n]2ccc(C4)cc2)cc1.FC(F)(F)S(=O)(=O)[O-].C(Cl)(Cl)Cl.FC(F)(F)S(=O)(=O)[O-].C(Cl)(Cl)Cl
• 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: 15.28 ± 0.0009 Å
• b: 11.3451 ± 0.0007 Å
• c: 17.5634 ± 0.0008 Å
• α: 90°
• β: 123.776 ± 0.003°
• γ: 90°
• Cell volume: 2530.8 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 8
• 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: 0.0406
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No