Materials Data on TcC4IO4 by Materials Project

Abstract

TcI(CO)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of thirty-two formaldehyde molecules and four TcI clusters. In each TcI cluster, there are two inequivalent Tc1+ sites. In the first Tc1+ site, Tc1+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.84 Å) and one longer (2.85 Å) Tc–I bond lengths. In the second Tc1+ site, Tc1+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.86 Å) and one longer (2.87 Å) Tc–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted L-shaped geometry to two Tc1+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two Tc1+ atoms.