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46 has been examined using single crystal XRD. The C atoms were modelled by two separate spheres of radii 3.13 Å (C in the form of CC bonds) and 3.83 Å (C bonded to F), and the F atoms by a sphere of radius 5.12 Å. Molecular orbital calculations based on the model suggest that residual π-electron density is concentrated within the cage and may account for the reluctance to form additional C-F bonds.
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46 has been examined using single crystal XRD. The C atoms were modelled by two separate spheres of radii 3.13 Å (C in the form of CC bonds) and 3.83 Å (C bonded to F), and the F atoms by a sphere of radius 5.12 Å. Molecular orbital calculations based on the model suggest that residual π-electron density is concentrated within the cage and may account for the reluctance to form additional C-F bonds.
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