Materials Data on CuN6(ClO4)3 by Materials Project
(CuN4)2N2(N(O4Cl)2)2(ClO4)2 crystallizes in the tetragonal P-42_1m space group. The structure is two-dimensional and consists of two ammonia molecules; two nsc1302 molecules; two ClO4 clusters; and one N(O4Cl)2 sheet oriented in the (0, 0, 1) direction. In each ClO4 cluster, there are two 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 1.49 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.44 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms. In the N(O4Cl)2 sheet, N+4.33+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All N–O bond lengths are 2.23 Å. 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 1.43 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one N+4.33+ and one Cl1- atom. The O–Cl bond length is 1.50 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms.