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
• 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