NiH8(CO5)2 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted bent 150 degrees geometry to one O(2) and one O(3) atom. In the second H site, H(2) is bonded in a linear geometry to one O(1) and one O(2) atom. In the third H site, H(3) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(5) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(3) and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one H(2), and one H(3) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one C(1), one H(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one H(1), and one H(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one C(1), one H(3), and one H(4) atom.
NiH8(CO5)2 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Both Ni(1)-O(1) bond lengths are 1.89 Å. Both Ni(1)-O(3) bond lengths are 1.88 Å. Both Ni(1)-O(4) bond lengths are 1.93 Å. C(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. The C(1)-O(2) bond length is 1.29 Å. The C(1)-O(4) bond length is 1.31 Å. The C(1)-O(5) bond length is 1.28 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted bent 150 degrees geometry to one O(2) and one O(3) atom. The H(1)-O(2) bond length is 1.44 Å. The H(1)-O(3) bond length is 1.05 Å. In the second H site, H(2) is bonded in a linear geometry to one O(1) and one O(2) atom. The H(2)-O(1) bond length is 1.03 Å. The H(2)-O(2) bond length is 1.54 Å. In the third H site, H(3) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(5) atom. The H(3)-O(1) bond length is 1.01 Å. The H(3)-O(5) bond length is 1.62 Å. In the fourth H site, H(4) is bonded in a linear geometry to one O(3) and one O(5) atom. The H(4)-O(3) bond length is 1.03 Å. The H(4)-O(5) bond length is 1.56 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one H(2), and one H(3) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one C(1), one H(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one H(1), and one H(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one C(1), one H(3), and one H(4) atom.