Information card for entry 1531940

Structure parameters

• Common name: [AgPt(CNArDipp2)2(C6H6)]OTf
• Formula: C81 H92 Ag F3 N2 O3 Pt S
• Calculated formula: C81 H92 Ag F3 N2 O3 Pt S
• SMILES: [Pt]12[Ag]([cH]3cc(c(c4c([N]#C1)c(ccc4)c1c(cccc1C(C)C)C(C)C)c(c3)C(C)C)C(C)C)[cH]1c(c(c(cc1)C(C)C)c1c([N]#C2)c(c2c(cccc2C(C)C)C(C)C)ccc1)C(C)C.S(=O)(=O)([O-])C(F)(F)F.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding
• Authors of publication: Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 7169
• a: 18.6061 ± 0.001 Å
• b: 19.7722 ± 0.0011 Å
• c: 20.9507 ± 0.0014 Å
• α: 90°
• β: 106.515 ± 0.002°
• γ: 90°
• Cell volume: 7389.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No