Single-crystal X-ray structural refinement of the ‘tetragonal' C60 polymer |
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| Authors: | Xuean Chen Shoji Yamanaka |
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| Institution: | Department of Applied Chemistry, Graduate School of Engineering, Hiroshima University, Higashi-Hiroshima 739-8527, Japan |
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| Abstract: | The single crystals of the ‘tetragonal' C60 polymer were prepared by the polymerization of C60 single crystals under a pressure of 2.5 GPa at 500 °C. The X-ray structural analysis resulted in the orthorhombic space group Immm; a=9.026(2) Å, b=9.083(2) Å, c=15.077(3) Å, and Z=2; R1/wR2=0.0731/0.1719 for 654 observed reflections and 74 variables. The crystal structure represents a pseudo-tetragonal packing of translationally identical adjacent two-dimensional (2D) layers formed by the polymerization of C60 molecules via 2+2] cycloaddition. |
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