Information card for entry 4117102

Structure parameters

• Formula: C78 H72 Au4 Cl2 O10 P4 S
• Calculated formula: C78 H72 Au4 Cl2 O10 P4 S
• SMILES: [Au]12([Au]3([Au]4([Au]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)[C]234=S(=O)(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O=C(C)C
• Title of publication: Synthesis of the First Complex with a Hypercoordinate Ylidic Carbon Atom. Crystal and Molecular Structure of [{Au(PPh3)}4CS(O)Me2](ClO4)2
• Authors of publication: José Vicente; M. Teresa Chicote; Rita Guerrero; Peter G. Jones
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 699 - 700
• a: 15.52 ± 0.002 Å
• b: 21.394 ± 0.004 Å
• c: 22.86 ± 0.004 Å
• α: 90°
• β: 99.07 ± 0.02°
• γ: 90°
• Cell volume: 7495 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.0766
• Goodness-of-fit parameter for all reflections: 0.85
• Goodness-of-fit parameter for significantly intense reflections: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No