NiC9H8(NO3)2 crystallizes in the monoclinic C2/c space group. Ni(1) is bonded in an octahedral geometry to one N(1), one N(2), one O(1), one O(3), one O(5), and one O(6) atom. The Ni(1)-N(1) bond length is 2.08 Å. The Ni(1)-N(2) bond length is 2.08 Å. The Ni(1)-O(1) bond length is 2.08 Å. The Ni(1)-O(3) bond length is 2.02 Å. The Ni(1)-O(5) bond length is 2.10 Å. The Ni(1)-O(6) bond length is 2.11 Å. There are eleven inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(4) and two equivalent C(2) atoms. The C(1)-C(4) bond length is 1.48 Å. Both C(1)-C(2) bond lengths are 1.41 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(1), one N(1), and one H(5) atom. The C(2)-N(1) bond length is 1.34 Å. The C(2)-H(5) bond length is 1.09 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to two equivalent N(1) and one H(6) atom. Both C(3)-N(1) bond lengths are 1.34 Å. The C(3)-H(6) bond length is 1.08 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(1) and two equivalent C(5) atoms. Both C(4)-C(5) bond lengths are 1.40 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(2), and one H(7) atom. The C(5)-N(2) bond length is 1.34 Å. The C(5)-H(7) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to two equivalent N(2) and one H(8) atom. Both C(6)-N(2) bond lengths are 1.34 Å. The C(6)-H(8) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(10), one C(8), and one C(9) atom. The C(7)-C(10) bond length is 1.50 Å. The C(7)-C(8) bond length is 1.41 Å. The C(7)-C(9) bond length is 1.40 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(11), one C(7), and one C(9) atom. The C(8)-C(11) bond length is 1.51 Å. The C(8)-C(9) bond length is 1.39 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(7), one C(8), and one H(9) atom. The C(9)-H(9) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(1), and one O(2) atom. The C(10)-O(1) bond length is 1.28 Å. The C(10)-O(2) bond length is 1.27 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(3), and one O(4) atom. The C(11)-O(3) bond length is 1.29 Å. The C(11)-O(4) bond length is 1.25 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Ni(1), one C(2), and one C(3) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ni(1), one C(5), and one C(6) atom. There are nine inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(5) atom. The H(1)-O(5) bond length is 1.01 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. The H(2)-O(5) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) atom. The H(3)-O(6) bond length is 0.97 Å. In the fourth H site, H(4) is bonded in a linear geometry to one O(4) and one O(6) atom. The H(4)-O(4) bond length is 1.60 Å. The H(4)-O(6) bond length is 1.01 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(3) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(5) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(6) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one C(10) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one C(10) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(11) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one C(11) and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one H(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one H(3), and one H(4) atom. Linkers: 2 [O]C(=O)c1cc(C([O])=O)c(C([O])=O)cc1C([O])=O ,2 c1ncc(-c2cncnc2)cn1. Metal clusters: 4 O.O.O=[C]O[Ni]O[C]=O. The MOF has largest included sphere 3.91 A, density 1.59 g/cm3, surface area 3448.11 m2/g, accessible volume 0.20 cm3/g