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Topics in Current Chemistry

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18 Ralf Steudel · Bodo Eckert Table 1 Molecular structure parameters of crystalline S6 (standard deviations in parenthe- ses). Point group of the molecule: 􏱥3m 􏱧 D3d Temperature Bond length (pm) Bond angle (􏰹) Torsion angle (􏰹)a Shortest intermolecular distance (pm) Reference a Absolute values 205.7(1.8) 102.2(1.6) 74.5(2.5) 320.2 pm [64] 206.8(2) 102.61(6) 73.8(1) [65] Table 2 Crystal structure parameters of cyclo-S6 (standard deviations in parentheses). There are three (one) molecules per unit (primitive) cell Crystal space group Site symmetry Lattice constants a (=b) (pm) c (pm) a/c R􏱥3 􏱧 C32i (no. 148) 􏱥3 􏱧 C3i 1081.8(2) 428.0(1) 1076.6(4) 422.5(1) 2.5482(16) 344.3(2) 347.1(2) 369.7(2) 183 [65] 2.5275(11) Numbers of and shortest intermolecular distances (pm) 12 350.1 6 352.6 6 374.9 Temperature (K) ~300 Reference [64] Fig. 1 Structure of crystalline S6 projected down the rhombohedral c-axis (left) and per- pendicular to the c-axis (right). The direction of the crystal c-axis coincides with that of the molecular z-axis. The intermolecular distances of 350 and 353 pm are shown as dashed lines [8]

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