Information card for entry 4117050

Structure parameters

• Chemical name: 2,4'-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: 10.5845 ± 0.0003 Å
• b: 14.5015 ± 0.0001 Å
• c: 11.9019 ± 0.0003 Å
• α: 90°
• β: 107.4 ± 0.001°
• γ: 90°
• Cell volume: 1743.24 ± 0.07 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections: 0.1092
• Weighted residual factors for significantly intense reflections: 0.0945
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No