Information card for entry 7224196

Structure parameters

• Common name: n-Ag4.5[C-pentyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]4.5 ethanol solvate hydrate
• Chemical name: n-Ag4.5[C-pentyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]4.5 ethanol solvate hydrate
• Formula: C79 H111 Ag4.5 F13.5 O20.5 S6
• Calculated formula: C79 H105.5 Ag4.5 F13.5 O20.5 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: 14.9657 ± 0.0003 Å
• b: 31.1456 ± 0.0007 Å
• c: 22.3769 ± 0.0006 Å
• α: 90°
• β: 94.729 ± 0.002°
• γ: 90°
• Cell volume: 10394.7 ± 0.4 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.261
• Weighted residual factors for all reflections included in the refinement: 0.2876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No