KHgC3(NO)3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to one N(2), two equivalent N(1), one O(2), two equivalent O(1), and two equivalent O(3) atoms. Hg(1) is bonded in a see-saw-like geometry to one N(1), one N(3), and two equivalent N(2) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(2) and one O(3) atom. In the second C site, C(2) is bonded in a linear geometry to one N(3) and one O(2) atom. In the third C site, C(3) is bonded in a linear geometry to one N(1) and one O(1) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one Hg(1), and one C(3) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent Hg(1), and one C(1) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one Hg(1) and one C(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(1) atom.
KHgC3(NO)3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to one N(2), two equivalent N(1), one O(2), two equivalent O(1), and two equivalent O(3) atoms. The K(1)-N(2) bond length is 2.97 Å. Both K(1)-N(1) bond lengths are 3.03 Å. The K(1)-O(2) bond length is 2.86 Å. Both K(1)-O(1) bond lengths are 2.94 Å. Both K(1)-O(3) bond lengths are 2.85 Å. Hg(1) is bonded in a see-saw-like geometry to one N(1), one N(3), and two equivalent N(2) atoms. The Hg(1)-N(1) bond length is 2.14 Å. The Hg(1)-N(3) bond length is 2.12 Å. Both Hg(1)-N(2) bond lengths are 2.55 Å. There are three inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(2) and one O(3) atom. The C(1)-N(2) bond length is 1.21 Å. The C(1)-O(3) bond length is 1.21 Å. In the second C site, C(2) is bonded in a linear geometry to one N(3) and one O(2) atom. The C(2)-N(3) bond length is 1.21 Å. The C(2)-O(2) bond length is 1.20 Å. In the third C site, C(3) is bonded in a linear geometry to one N(1) and one O(1) atom. The C(3)-N(1) bond length is 1.21 Å. The C(3)-O(1) bond length is 1.20 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one Hg(1), and one C(3) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent Hg(1), and one C(1) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one Hg(1) and one C(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(1) atom.