Materials Data on ZnC4(N2O)4 by Materials Project

Zn(CN4)2(CO2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional and consists of eight formic acid molecules and one Zn(CN4)2 framework. In the Zn(CN4)2 framework, Zn2+ is bonded in a tetrahedral geometry to four equivalent N+1.25- atoms. All Zn–N bond lengths are 2.03 Å. C4+ is bonded in a water-like geometry to two equivalent N+1.25- atoms. Both C–N bond lengths are 1.34 Å. There are two inequivalent N+1.25- sites. In the first N+1.25- site, N+1.25- is bonded in a 3-coordinate geometry to one Zn2+, one C4+, and one N+1.25- atom. The N–N bond length is 1.36 Å. In the second N+1.25- site, N+1.25- is bonded in a distorted water-like geometry to two N+1.25- atoms. The N–N bond length is 1.30 Å.