Information card for entry 1531942

Structure parameters

• Common name: [AgPd(CNArDipp2)2(THF)]OTf
• Formula: C93 H134 Ag F3 N2 O10.5 Pd S
• Calculated formula: C67 H82 Ag F3 N2 O4 Pd S
• SMILES: [Ag][Pd]([O]1CCCC1)(C#[N]c1c(cccc1c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C)C#[N]c1c(c2c(C(C)C)cccc2C(C)C)cccc1c1c(cccc1C(C)C)C(C)C.S(=O)(=O)([O-])C(F)(F)F
• 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: 15.5936 ± 0.0016 Å
• b: 21.315 ± 0.002 Å
• c: 24.141 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8023.9 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No