Information card for entry 4064303

Structure parameters

• Formula: C19 H22 Ag F3 N4 O3 S
• Calculated formula: C19 H22 Ag F3 N4 O3 S
• SMILES: [Ag]1=C2N(C=CN2C)Cc2c(cc(c(c2)CN2C=1N(C=C2)C)C)C.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Do Short C‒H‒M (M = Cu(I), Ag(I)) Distances Represent Agostic Interactions in Pincer-Type Complexes? Unusual NHC Transmetalation from Cu(I) to Ag(I)
• Authors of publication: Liu, Xianghao; Pattacini, Roberto; Deglmann, Peter; Braunstein, Pierre
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 3302
• a: 8.507 ± 0.002 Å
• b: 19.316 ± 0.003 Å
• c: 13.392 ± 0.002 Å
• α: 90°
• β: 91.27 ± 0.03°
• γ: 90°
• Cell volume: 2200 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0928
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No