Information card for entry 4117049

Structure parameters

• Chemical name: 2,2'-dicyanodiphenylacetylene silver(I) triflate
• Formula: C17 H8 Ag F3 N2 O3 S
• Calculated formula: C17 H8 Ag F3 N2 O3 S
• Title of publication: Association of Dicyanodiphenylacetylenes with Silver(I) Salts in Solution and Solid State: Electrospray Ionization Mass Spectrometry Samples Aggregates at Subsaturated Concentrations
• Authors of publication: Keith A. Hirsch; Scott R. Wilson; Jeffrey S. Moore
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 10401 - 10412
• a: 12.9134 ± 0.0015 Å
• b: 19.849 ± 0.002 Å
• c: 6.8919 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1766.5 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.0824
• Goodness-of-fit parameter for all reflections: 1.117
• Goodness-of-fit parameter for significantly intense reflections: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No