Information card for entry 4071762

Structure parameters

• Formula: C76 H72 Ag4 F24 N20 O2 P4
• Calculated formula: C76 H72 Ag4 F24 N20 O2 P4
• SMILES: [Ag]12345[Ag]6789[Ag]%10%11%12([Ag]%131([n]1c(CN%14C%12%13N(c%12nc%13[n]6c(cc(c%13cc%12)C)C)C=C%14)cccc1)([n]1c6nc(N%12C49N(C=C%12)Cc4[n]7cccc4)ccc6c(cc1C)C)C15N(c4nc5[n]%10c(cc(c5cc4)C)C)C=CN1Cc1[n]3cccc1)[n]1c(CN3C8%11N(c4nc5[n]2c(cc(c5cc4)C)C)C=C3)cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.O
• Title of publication: Facile and Efficient Olefination of Aryl Halides Catalyzed by a Palladium Complex Containing a Heteroarene-Functionalized N-Heterocyclic Carbene
• Authors of publication: Zhang, Xiaoming; Xi, Zhenxing; Liu, Ailing; Chen, Wanzhi
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 17
• Pages of publication: 4401
• a: 15.536 ± 0.002 Å
• b: 17.959 ± 0.002 Å
• c: 18.176 ± 0.002 Å
• α: 88.668 ± 0.002°
• β: 86.415 ± 0.002°
• γ: 68.656 ± 0.001°
• Cell volume: 4714.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No