Information card for entry 7052053

Structure parameters

• Common name: [Ag2(3-S6-cage-3-NO2)(triflat)2] x 2 AN
• Formula: C35 H60 Ag2 F6 N4 O10 S8
• Calculated formula: C35 H60 Ag2 F6 N4 O10 S8
• Title of publication: Syntheses of a series of S6 thioether cages and their coordination chemistry with Ag+
• Authors of publication: Alberto, Roger; Angst, Daniela; Ortner, Kirstin; Abram, Ulrich; Schubiger, P. August; Kaden, Thomas A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 409
• a: 21.614 ± 0.008 Å
• b: 13.491 ± 0.002 Å
• c: 18.364 ± 0.008 Å
• α: 90°
• β: 109.7 ± 0.02°
• γ: 90°
• Cell volume: 5041 ± 3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No