Materials Data on ReC4S4N8Cl8O3 by Materials Project

Abstract

ReCl6(CN2)4S4O3Cl2 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of sixteen cyanamide molecules; four hexachlororhenium molecules; and two S4O3Cl2 ribbons oriented in the (0, 0, 1) direction. In each S4O3Cl2 ribbon, S2- is bonded in a 2-coordinate geometry to two equivalent S2-, one O2-, and one Cl1- atom. There are one shorter (1.86 Å) and one longer (2.62 Å) S–S bond lengths. The S–O bond length is 3.42 Å. The S–Cl bond length is 2.65 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both O–O bond lengths are 1.29 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent S2- and one O2- atom. Cl1- is bonded in a 3-coordinate geometry to two equivalent S2- atoms.