Information card for entry 7126408

Structure parameters

• Formula: C59 H70 Au Cl2 F3 N O5 P3 Pd S
• Calculated formula: C59 H70 Au Cl2 F3 N O5 P3 Pd S
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1[n+](cc2c(c1[Pd]13[P](Oc4c3c(O[P]1(C(C)C)C(C)C)ccc4)(C(C)C)C(C)C)cccc2)c1c(cccc1C(C)C)C(C)C.ClCCl.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Pd-Promoted cross coupling of iodobenzene with vinylgold via an unprecedented phenyl transmetalation from Pd to Au.
• Authors of publication: Wang, Jiwei; Zhan, Licheng; Wang, Gendi; Wei, Yin; Shi, Min; Zhang, Jun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 46
• Pages of publication: 6213 - 6216
• a: 13.9859 ± 0.0004 Å
• b: 14.735 ± 0.0004 Å
• c: 15.1208 ± 0.0003 Å
• α: 84.537 ± 0.001°
• β: 82.442 ± 0.001°
• γ: 89.562 ± 0.001°
• Cell volume: 3074.99 ± 0.14 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No