Materials Data on K2PtC4(BrN2)2 by Materials Project

Abstract

K2Pt(CN)4Br2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to six N3- and two equivalent Br1- atoms. There are a spread of K–N bond distances ranging from 2.91–3.39 Å. There are one shorter (3.57 Å) and one longer (3.58 Å) K–Br bond lengths. Pt2- is bonded in an octahedral geometry to four C+3.50+ and two equivalent Br1- atoms. There are two shorter (2.01 Å) and two longer (2.02 Å) Pt–C bond lengths. Both Pt–Br bond lengths are 2.53 Å. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C+3.50+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C+3.50+ atom. Br1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Pt2- atom.