NiH3(CO2)3C2N crystallizes in the monoclinic Cc space group. The structure consists of four ch3nc molecules inside a NiH3(CO2)3 framework. In the NiH3(CO2)3 framework, Ni(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(2), one O(2), and one O(4) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one H(3), one O(3), and one O(6) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(3) atom.
NiH3(CO2)3C2N crystallizes in the monoclinic Cc space group. The structure consists of four ch3nc molecules inside a NiH3(CO2)3 framework. In the NiH3(CO2)3 framework, Ni(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Ni(1)-O(1) bond length is 2.03 Å. The Ni(1)-O(2) bond length is 2.04 Å. The Ni(1)-O(3) bond length is 2.04 Å. The Ni(1)-O(4) bond length is 2.04 Å. The Ni(1)-O(5) bond length is 2.04 Å. The Ni(1)-O(6) bond length is 2.04 Å. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(5) atom. The C(1)-H(1) bond length is 1.10 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(5) bond length is 1.27 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(2), one O(2), and one O(4) atom. The C(2)-H(2) bond length is 1.10 Å. The C(2)-O(2) bond length is 1.27 Å. The C(2)-O(4) bond length is 1.27 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one H(3), one O(3), and one O(6) atom. The C(3)-H(3) bond length is 1.10 Å. The C(3)-O(3) bond length is 1.27 Å. The C(3)-O(6) bond length is 1.27 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(3) atom.