Information card for entry 7151065

Structure parameters

• Common name: (R2PdCl2)(NTf)2
• Formula: C30 H36 Cl2 F12 N8 O8 Pd S4
• Calculated formula: C30 H36 Cl2 F12 N8 O8 Pd S4
• SMILES: c1[n](c(ccc1)c1n(cc[n+]1CCCC)C)[Pd](Cl)([n]1ccccc1c1n(cc[n+]1CCCC)C)Cl.FC(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F.FC(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F
• Title of publication: Efficient Heck reactions catalyzed by a highly recyclable palladium(II) complex of a pyridyl-functionalized imidazolium-based ionic liquid.
• Authors of publication: Ruihu Wang; Ji-Chang Xiao; Brendan Twamley; Jean'ne M. Shreeve
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 671 - 678
• a: 8.8615 ± 0.0012 Å
• b: 24.322 ± 0.003 Å
• c: 11.2807 ± 0.0016 Å
• α: 90°
• β: 111.633 ± 0.002°
• γ: 90°
• Cell volume: 2260.1 ± 0.5 ų
• Cell temperature: 87 ± 2 K
• Ambient diffraction temperature: 87 ± 2 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: 0.0412
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No