Formation of Hexagonal Fullerene Layers from Neutral and Negatively Charged Fullerenes in {(Ph3P)3Au+}2(C60•–)2(C60)·C6H4Cl2 Containing Gold Cations with the C3v Symmetry

Fullerene salt {(Ph3P)3Au+}2­(C60•–)2­(C60)·​C6H4Cl2 (1) containing (Ph3P)3­Au+ cations with the C3v symmetry has been obtained as single crystals. Hexagonal corrugated fullerene layers formed in 1 alternate with the layers consisting of (Ph3P)3­Au+ and C6H4­Cl2 along the c axis. According to IR spectra and peculiarities of the crystal structure, the charge on fullerenes in the layers is evaluated to be −1 for two and close to zero for one C60. These fullerenes have different cationic surroundings, and positively charged gold atoms approach closer to C60•–. Charged and neutral fullerenes are closely packed within hexagonal layers with an interfullerene center-to-center distance of 10.02 Å and multiple short van der Waals C···C contacts. The distances between C60•– are essentially longer with an interfullerene center-to-center distance of 10.37 Å due to corrugation of the layers, and no van der Waals contacts are formed in this case. As a result, each C60•– has only three negatively charged fullerene neighbors with rather long interfullerene distances providing only weak antiferromagnetic interaction of spins in the fullerene layers with a Weiss temperature of −5 K.