Materials Data on MnH12(C2N5)2 by Materials Project

Abstract

MnN9N(CH3)4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional and consists of two tetramethylammonium molecules and one MnN9 framework. In the MnN9 framework, Mn2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Mn–N bond distances ranging from 2.00–2.06 Å. There are nine inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to one Mn2+ and one N3- atom. The N–N bond length is 1.20 Å. In the second N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Mn2+ and one N3- atom. The N–N bond length is 1.19 Å. In the third N3- site, N3- is bonded in a linear geometry to two N3- atoms. The N–N bond length is 1.19 Å. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to one Mn2+ and one N3- atom. The N–N bond length is 1.19 Å. In the fifth N3- site, N3- is bonded in a linear geometry to two N3- atoms. The N–N bond length is 1.19 Å. In the sixth N3- site, N3- is bonded in a linear geometry to two N3- atoms. The N–N bond length is 1.20 Å. In the seventh N3- site, N3- is bonded in a bent 150 degrees geometry to one Mn2+ and one N3- atom. In the eighth N3- site, N3- is bonded in a bent 150 degrees geometry to one Mn2+ and one N3- atom. In the ninth N3- site, N3- is bonded in a distorted linear geometry to one Mn2+ and one N3- atom.