NiC12H10(NO3)2 crystallizes in the monoclinic C2 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent O(5), and two equivalent O(7) atoms. Both Ni(1)-N(1) bond lengths are 2.03 Å. Both Ni(1)-O(5) bond lengths are 2.10 Å. Both Ni(1)-O(7) bond lengths are 2.07 Å. In the second Ni site, Ni(2) is bonded in an octahedral geometry to one N(2), one N(3), one O(4), one O(6), one O(8), and one O(9) atom. The Ni(2)-N(2) bond length is 1.96 Å. The Ni(2)-N(3) bond length is 1.96 Å. The Ni(2)-O(4) bond length is 2.23 Å. The Ni(2)-O(6) bond length is 2.25 Å. The Ni(2)-O(8) bond length is 2.01 Å. The Ni(2)-O(9) bond length is 2.00 Å. There are eighteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(16), one C(7), and one H(1) atom. The C(1)-C(16) bond length is 1.39 Å. The C(1)-C(7) bond length is 1.40 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(17), one C(8), and one H(2) atom. The C(2)-C(17) bond length is 1.39 Å. The C(2)-C(8) bond length is 1.40 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(18), one C(9), and one H(3) atom. The C(3)-C(18) bond length is 1.39 Å. The C(3)-C(9) bond length is 1.40 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(13), one C(7), and one H(4) atom. The C(4)-C(13) bond length is 1.39 Å. The C(4)-C(7) bond length is 1.39 Å. The C(4)-H(4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(14), one C(8), and one H(5) atom. The C(5)-C(14) bond length is 1.39 Å. The C(5)-C(8) bond length is 1.39 Å. The C(5)-H(5) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(15), one C(9), and one H(6) atom. The C(6)-C(15) bond length is 1.39 Å. The C(6)-C(9) bond length is 1.39 Å. The C(6)-H(6) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(1), one C(10), and one C(4) atom. The C(7)-C(10) bond length is 1.51 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(11), one C(2), and one C(5) atom. The C(8)-C(11) bond length is 1.51 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(12), one C(3), and one C(6) atom. The C(9)-C(12) bond length is 1.51 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(4) atom. The C(10)-O(1) bond length is 1.28 Å. The C(10)-O(4) bond length is 1.26 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(2), and one O(5) atom. The C(11)-O(2) bond length is 1.28 Å. The C(11)-O(5) bond length is 1.27 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(9), one O(3), and one O(6) atom. The C(12)-O(3) bond length is 1.28 Å. The C(12)-O(6) bond length is 1.26 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(13), one C(4), and one N(1) atom. The C(13)-C(13) bond length is 1.47 Å. The C(13)-N(1) bond length is 1.35 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(15), one C(5), and one N(2) atom. The C(14)-C(15) bond length is 1.46 Å. The C(14)-N(2) bond length is 1.36 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(14), one C(6), and one N(3) atom. The C(15)-N(3) bond length is 1.36 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(1), one N(1), and one H(7) atom. The C(16)-N(1) bond length is 1.34 Å. The C(16)-H(7) bond length is 1.09 Å. In the seventeenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(2), one N(2), and one H(8) atom. The C(17)-N(2) bond length is 1.34 Å. The C(17)-H(8) bond length is 1.09 Å. In the eighteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(3), one N(3), and one H(9) atom. The C(18)-N(3) bond length is 1.34 Å. The C(18)-H(9) bond length is 1.09 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Ni(1), one C(13), and one C(16) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ni(2), one C(14), and one C(17) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Ni(2), one C(15), and one C(18) atom. There are fifteen 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. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(16) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(17) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(18) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(3) and one O(7) atom. The H(10)-O(3) bond length is 1.68 Å. The H(10)-O(7) bond length is 1.00 Å. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(2) and one O(8) atom. The H(11)-O(2) bond length is 1.71 Å. The H(11)-O(8) bond length is 1.00 Å. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(1) and one O(9) atom. The H(12)-O(1) bond length is 1.71 Å. The H(12)-O(9) bond length is 1.00 Å. In the thirteenth H site, H(13) is bonded in a distorted single-bond geometry to one O(2) and one O(7) atom. The H(13)-O(2) bond length is 1.62 Å. The H(13)-O(7) bond length is 1.01 Å. In the fourteenth H site, H(14) is bonded in a distorted single-bond geometry to one O(1) and one O(8) atom. The H(14)-O(1) bond length is 1.60 Å. The H(14)-O(8) bond length is 1.02 Å. In the fifteenth H site, H(15) is bonded in a distorted bent 150 degrees geometry to one O(3) and one O(9) atom. The H(15)-O(3) bond length is 1.60 Å. The H(15)-O(9) bond length is 1.01 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one C(10), one H(12), and one H(14) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one C(11), one H(11), and one H(13) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one C(12), one H(10), and one H(15) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one C(10) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(11) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(12) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ni(1), one H(10), and one H(13) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ni(2), one H(11), and one H(14) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ni(2), one H(12), and one H(15) atom. Linkers: 3 [O]C(=O)c1ccnc(-c2cc(C([O])=O)ccn2)c1. Metal clusters: 3 O.O.O=[C]O[Ni]O[C]=O. The MOF has largest included sphere 2.46 A, density 1.69 g/cm3, surface area 3745.40 m2/g, accessible volume 0.13 cm3/g