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34 Ralf Steudel · Bodo Eckert Fig. 12 Structure of the S12 molecule in the crystal (molecular symmetry D3d, site sym- metry C2h). Bond lengths: S1-S2 205.7, S2-S3 204.8, S3-S4 205.2 pm; bond angles at the indicated atoms: S1 105.4, S2 107.4, S3 106.6, S4 107.0 [100] Table 12 Molecular structure parameters of orthorhombic S12 at about 300 K and of CS2·S12 at about 168 K [100] Point group of molecule Compound Av. bond lengths (pm) Range Av. bond angles () Range Av. torsion angles ()a Range aAbsolute values 3m D3d S12 CS2·S12 205.2 205.4 204.8–205.7 - 106.6 106.2 105.4–107.4 105.80–106.65 88.0 87.2 86.0–89.4 - structure the much more favorable value of the torsion angles of about 88 is allowed. In contrast to the structures of S6 and S8 in which a cis-cis arrange- ment is repeated three-times and four-times [motifs: (+)3, (+)4], respec- tively, the bonding in S12 shows a regular cis-trans repetition [motif: (++)3]. The average bond length is very close to values found for S6 and S8, but the bond angles in S12 depend slightly on the planes mentioned above: The average valence angle at atoms of the median plane is 106.0 while that at the atoms of the upper and lower planes is 107.2 (Table 12). The lattice parameters of orthorhombic S12 are a=472.5(2) pm, b=910.4(3) pm, c=1453(3) pm [100]. The molecules in the crystal are ar- ranged in layers. The molecules of adjacent layers are slightly inclined around one of the C2 axes of molecular symmetry, and the molecular planes of the next nearest layers are parallel. While the shortest intermolecular dis-PDF Image | Topics in Current Chemistry
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