Information card for entry 4087865

Structure parameters

• Common name: (PPh3)Au(MeCN)POM
• Formula: C108 H102 Au5 N9 O64 P7 W18
• Calculated formula: C108 H102 Au5 N9 O64 P7 W18
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[N]#CC.[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[N]#CC.[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[N]#CC.[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[N]#CC.[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[N]#CC.[W]1234(=O)O[W]567(=O)O[W]89(O1)(=O)O[W]1%10%11(O[W]%12%13(O2)(=O)[O]1=P1([O]359)[O]2[W]35(O7)(O[W]2(O4)(O%12)(=O)O[W]247(=O)O[W]9%12(O%13)(=O)O[W]%13%14(O%11)(=O)[O]9=P9%11[O]7[W]7(O5)(O2)(=O)O[W]25%15([O]%16%11[W](O%14)(O[W]%11%14(O[W]%17(O8)(O[W](O6)(=O)(O3)([O]1%17)O[W](O7)([O]9%11)(=O)(O%14)O%15)(=O)O%10)(O%13)=O)(=O)(O5)O[W]%16(O4)(=O)(O2)O%12)=O)=O)=O.C(#N)C.CC#N.CC#N.CC#N.O.O
• Title of publication: Polyoxometalate-Gold(I)/H+ Complexes: Air-Stable, Efficient, Polyvalent, and Bifunctional Catalysts
• Authors of publication: Hueber, Damien; Hoffmann, Marie; de Frémont, Pierre; Pale, Patrick; Blanc, Aurélien
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 5065
• a: 20.4409 ± 0.0005 Å
• b: 20.5221 ± 0.0005 Å
• c: 20.9542 ± 0.0003 Å
• α: 87.881 ± 0.001°
• β: 77.569 ± 0.001°
• γ: 60.694 ± 0.001°
• Cell volume: 7461.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1099
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No