Materials Data on ReRuN5Cl7 by Materials Project

Abstract

ReRuN5Cl7ReCl6RuN5Cl crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two hexachlororhenium molecules; two nsc172784 molecules; and two ReRuN5Cl7 ribbons oriented in the (0, 1, 0) direction. In each ReRuN5Cl7 ribbon, Re3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Re–Cl bond distances ranging from 2.27–2.30 Å. Ru5+ is bonded in a 5-coordinate geometry to five N+0.20- and one Cl1- atom. There are a spread of Ru–N bond distances ranging from 1.69–2.05 Å. The Ru–Cl bond length is 2.66 Å. There are four inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- is bonded in a single-bond geometry to one Ru5+ and one Cl1- atom. The N–Cl bond length is 2.79 Å. In the second N+0.20- site, N+0.20- is bonded in a single-bond geometry to one Ru5+ and one Cl1- atom. The N–Cl bond length is 2.97 Å. In the third N+0.20- site, N+0.20- is bonded in a distorted single-bond geometry to one Ru5+ and one Cl1- atom. The N–Cl bond length is 2.81 Å. In the fourth N+0.20- site, N+0.20- is bonded in a single-bond geometry to one Ru5+ atom. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Re3+ and one Cl1- atom. The Cl–Cl bond length is 3.11 Å. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Ru5+, four N+0.20-, and two equivalent Cl1- atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Re3+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re3+ atom.