Compound 40578



This compound crystallizes in cubic space group I23; all species lie on special positions. Click “Grow” to expand the asymmetric unit.


If you turn the "Cell On", you will see an orange-colored 2-fold axis passing through the midpoint of the central C-C bond in the bis-dithyolylidene ion and two cyan-colored 3-fold axes passing through the Lanthanum complex and the chloroform molecule.

According to the Wycoff positions in the IT entry for space group I23 (shown below), there are 2 x 12 = 24 occurrences of the bis-dithyolylidene ion in the unit cell, 1 x 8 = 8 Lanthanum complexes, and 1 x 8 = 8 chloroform molecules, leading to a ratio of 3:1:1.



If you "Fill Cell", you can count 24 bis-dithyolylidene ions, 8 Lanthanum complexes, and 8 chloroform molecules in the unit cell.