Materials Data on ZnSi3GeH35C13BrO by Materials Project

Abstract

Ge(Si(CH3)3)3(CH2)2ZnC2H4OBr crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two germanium molecules, four methane molecules, six trimethylsilyl radical molecules, and one ZnC2H4OBr cluster. In the ZnC2H4OBr cluster, Zn2+ is bonded in a 3-coordinate geometry to one O2- and two equivalent Br1- atoms. The Zn–O bond length is 2.37 Å. There are one shorter (2.56 Å) and one longer (2.59 Å) Zn–Br bond lengths. There are two inequivalent C+3.85- sites. In the first C+3.85- site, C+3.85- is bonded in a distorted trigonal non-coplanar geometry to two H1+ and one O2- atom. Both C–H bond lengths are 1.10 Å. The C–O bond length is 1.45 Å. In the second C+3.85- site, C+3.85- is bonded in a distorted trigonal non-coplanar geometry to two H1+ and one O2- atom. Both C–H bond lengths are 1.10 Å. The C–O bond length is 1.46 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two C+3.85- atoms. Br1- is bonded in an L-shaped geometry to two equivalent Zn2+ atoms.