Information card for entry 4117148

Structure parameters

• Formula: C112 H92 Au6 Cl24 F6 Fe3 O6 P6 S4
• Calculated formula: C112 H92 Au6 Cl24 F6 Fe3 O6 P6 S4
• SMILES: [Au]([S]1[Au][P](c2ccccc2)(c2ccccc2)[c]23[cH]4[cH]5[cH]6[cH]2[Fe]34562789[cH]%10[cH]2[cH]7[c]8([cH]9%10)[P]([Au][S]([Au]2)[Au][P](c3ccccc3)(c3ccccc3)[c]34[cH]5[cH]6[cH]([Fe]356789%10%11[cH]3[cH]7[cH]8[c]9([P]2(c2ccccc2)c2ccccc2)[cH]3%10)[cH]4%11)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)[c]23[cH]4[cH]5[cH]6[cH]2[Fe]23456789[c]3([cH]8[cH]9[cH]2[cH]37)[P]([Au]1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Aurophilicity at Sulfur Centers. Synthesis and Reactivity of the Complex [S(Au2dppf)]; Formation of Polynuclear Sulfur-Centered Complexes. Crystal Structures of [S(Au2dppf)].2CHCl3, [(μ-Au2dppf){S(Au2dppf)}2](OTf)2. 8CHCl3, and [S(AuPPh2Me)2(Au2dppf)](ClO4)2.3CH2Cl2
• Authors of publication: Fernando Canales; M. Concepción Gimeno; Antonio Laguna; Peter G. Jones
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 4839 - 4845
• a: 15.177 ± 0.003 Å
• b: 18.408 ± 0.004 Å
• c: 27.894 ± 0.008 Å
• α: 88.83 ± 0.02°
• β: 84.46 ± 0.02°
• γ: 67.78 ± 0.02°
• Cell volume: 7179 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1907
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections: 0.2178
• Weighted residual factors for significantly intense reflections: 0.1783
• Goodness-of-fit parameter for all reflections: 0.865
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No