Information card for entry 4327310

Structure parameters

• Common name: [Ag^I^(trif)]^.^0.5(C3 H6 O)^.^0.5(C4 H10 O)
• Chemical name: [(1,3,5-Tris[2'-((pyrazol-1-yl)methyl) phenyl]benzene)silver(I)](trifluoromethanesulfonate) ^.^ 0.5 acetone ^.^ 0.5 diethylether
• Formula: C37 H30 Ag F3 N6 O3 S
• Calculated formula: C37 H30 Ag F3 N6 O3 S
• SMILES: [Ag]12[n]3n(Cc4c(c5cc(cc(c5)c5c(cccc5)Cn5[n]2ccc5)c2c(cccc2)Cn2[n]1ccc2)cccc4)ccc3.FC(F)(F)S(=O)(=O)[O-]
• Title of publication: A Tris(pyrazolyl) η6-Arene Ligand That Selects Cu(I) over Cu(II)
• Authors of publication: Robert T. Stibrany; Chengmin Zhang; Thomas J. Emge; Harvey J. Schugar; Joseph A. Potenza; Spencer Knapp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Pages of publication: 9713 - 9720
• a: 13.1505 ± 0.0004 Å
• b: 13.1505 ± 0.0004 Å
• c: 44.152 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6612.5 ± 0.5 ų
• Cell temperature: 223 ± 1 K
• Ambient diffraction temperature: 223 ± 1 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No