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The single crystals of the [2]rotaxane 2T-Rx·4PF 6 were grown by vapor diffusion of i-Pr2O into a MeCN solution of 2T-Rx·4PF6. Crystal data for [2T-Rx·4PF6·6MeCN, C72H 98N4O6S2Si2· 4PF6·6MeCN, M, 2062.07, triclinic, a, 11.323(4) Å, b, 11.942(4) Å, c, 20.512(7) Å, R, 91.128(5)°, β, 101.002(5)°, γ, 114.600(5)°, V, 2460.2(15) Å3, space group P1, Z, 1, rcalcd, 1.392 g cm-3, μ(Mo Kα, 2.43 cm-1, F(000, 826.0, T, 120 K, red plate crystal, 0.60 x 0.30 x 0.10 mm, R1, 0.0650, wR 2F2, 0.1648, goodness of fit, 1.045
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2) = 0.1648, goodness of fit = 1.045.
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33
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59849089364
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The distance between the proton b of the thiophene unit and the centroid of the p-phenylene unit.
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The distance between the proton b of the thiophene unit and the centroid of the p-phenylene unit.
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