Information card for entry 7224195

Structure parameters

• Common name: n-Ag3[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]3 ethanol solvate hydrate
• Chemical name: n-Ag3[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]3 ethanol solvate hydrate
• Formula: C72 H107 Ag3 F9 O19.5 S6
• Calculated formula: C72 H106 Ag3 F9 O19.5 S6
• Title of publication: Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns
• Authors of publication: Helttunen, Kaisa; Nissinen, Maija
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 26
• Pages of publication: 4944
• a: 14.4639 ± 0.0003 Å
• b: 17.1573 ± 0.0005 Å
• c: 19.8936 ± 0.0008 Å
• α: 67.754 ± 0.003°
• β: 71.544 ± 0.003°
• γ: 88.853 ± 0.002°
• Cell volume: 4306.2 ± 0.3 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2508
• Weighted residual factors for all reflections included in the refinement: 0.272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No