Materials Data on H22RuN7(ClO2)4 by Materials Project
(RuN3H6)2(NH4)2(N3H12Cl)2(ClO4)4Cl2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ammonium molecules, two hydrochloric acid molecules, four ClO4 clusters, two N3H12Cl clusters, and two RuN3H6 clusters. In each ClO4 cluster, there are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms. In each N3H12Cl cluster, there are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a tetrahedral geometry to four H1+ atoms. There is three shorter (1.03 Å) and one longer (1.06 Å) N–H bond length. In the second N1- site, N1- is bonded in a tetrahedral geometry to four H1+ atoms. There is three shorter (1.03 Å) and one longer (1.07 Å) N–H bond length. There are seven inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N1- and one Cl1- atom. The H–Cl bond length is 2.07 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N1- and one Cl1- atom. The H–Cl bond length is 1.94 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. Cl1- is bonded in a distorted single-bond geometry to three H1+ atoms. In each RuN3H6 cluster, Ru5+ is bonded in a trigonal non-coplanar geometry to three N1- atoms. There is two shorter (1.88 Å) and one longer (1.94 Å) Ru–N bond length. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted trigonal planar geometry to one Ru5+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N1- site, N1- is bonded in a distorted trigonal non-coplanar geometry to one Ru5+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom.