Materials Data on C6I3N4 by Materials Project
(C3N2)2(I)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four methenamine molecules and four I clusters. In each I cluster, there are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to one I1- atom. The I–I bond length is 2.87 Å. In the second I1- site, I1- is bonded in a 1-coordinate geometry to one I1- atom. The I–I bond length is 2.90 Å. In the third I1- site, I1- is bonded in a linear geometry to two I1- atoms.
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