Information card for entry 7006786

Structure parameters

• Formula: C32 H50 Ag2 F12 N6 O2 P2 S4
• Calculated formula: C32 H50 Ag2 F12 N6 O2 P2 S4
• SMILES: C1[S]2CCOCC[S]3[Ag]42[N](C1)(CC3)Cc1c[n]([Ag]23[N]5(CC[S]2CCOCC[S]3CC5)Cc2c[n]4ccc2)ccc1.[P](F)(F)(F)(F)(F)[F-].N#CC.[P](F)(F)(F)(F)(F)[F-].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: 8.4105 ± 0.0012 Å
• b: 10.3316 ± 0.0015 Å
• c: 13.9 ± 0.002 Å
• α: 95.302 ± 0.003°
• β: 98.218 ± 0.003°
• γ: 109.098 ± 0.003°
• Cell volume: 1117.1 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0473
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No