Information card for entry 7003921

Structure parameters

• Formula: C28 H25 Ag2 F12 N11 P2
• Calculated formula: C28 H25 Ag2 F12 N11 P2
• SMILES: [Ag]([n]1c(CN2C(=[Ag]3)N(C=C2)c2ncccn2)cccc1)=C1N(C=CN1Cc1[n]3cccc1)c1ncccn1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Synthesis, structural characterization, and catalytic behaviour in Heck coupling of palladium(ii) complexes containing pyrimidine-functionalized N-heterocyclic carbenes
• Authors of publication: Ye, Jiansheng; Chen, Wanzhi; Wang, Daqi
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 30
• Pages of publication: 4015 - 4022
• a: 14.645 ± 0.002 Å
• b: 18.615 ± 0.002 Å
• c: 15.0318 ± 0.0019 Å
• α: 90°
• β: 112.86 ± 0.002°
• γ: 90°
• Cell volume: 3776.1 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0786
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No