NiC12H12(N2O3)2(CH)4 crystallizes in the monoclinic C2/c space group. The structure consists of thirty-two 02329_fluka molecules inside a NiC12H12(N2O3)2 framework. In the NiC12H12(N2O3)2 framework, Ni(1) is bonded in an octahedral geometry to one N(1), one N(2), one O(1), one O(3), one O(4), and one O(5) atom. The Ni(1)-N(1) bond length is 2.06 Å. The Ni(1)-N(2) bond length is 2.07 Å. The Ni(1)-O(1) bond length is 2.13 Å. The Ni(1)-O(3) bond length is 2.14 Å. The Ni(1)-O(4) bond length is 2.23 Å. The Ni(1)-O(5) bond length is 2.08 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1) atom. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(4) is bonded in a distorted trigonal planar geometry to one C(6), one N(1), and one H(8) atom. The C(4)-C(6) bond length is 1.39 Å. The C(4)-N(1) bond length is 1.35 Å. The C(4)-H(8) bond length is 1.09 Å. In the third C site, C(5) is bonded in a distorted trigonal planar geometry to one C(6), one C(8), and one N(3) atom. The C(5)-C(6) bond length is 1.41 Å. The C(5)-C(8) bond length is 1.40 Å. The C(5)-N(3) bond length is 1.41 Å. In the fourth C site, C(6) is bonded in a distorted single-bond geometry to one C(4), one C(5), and one H(9) atom. The C(6)-H(9) bond length is 1.09 Å. In the fifth C site, C(8) is bonded in a distorted single-bond geometry to one C(5) and one H(11) atom. The C(8)-H(11) bond length is 1.09 Å. In the sixth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(6) atom. The C(9)-O(3) bond length is 1.28 Å. The C(9)-O(6) bond length is 1.28 Å. In the seventh C site, C(10) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(5) atom. The C(10)-O(2) bond length is 1.27 Å. The C(10)-O(5) bond length is 1.29 Å. In the eighth C site, C(12) is bonded in a distorted single-bond geometry to one C(13) and one H(13) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-H(13) bond length is 1.09 Å. In the ninth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one C(15), and one N(4) atom. The C(13)-C(15) bond length is 1.40 Å. The C(13)-N(4) bond length is 1.41 Å. In the tenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(14) atom. The C(14)-N(2) bond length is 1.35 Å. The C(14)-H(14) bond length is 1.09 Å. In the eleventh C site, C(15) is bonded in a distorted trigonal planar geometry to one C(13), one C(16), and one H(15) atom. The C(15)-C(16) bond length is 1.39 Å. The C(15)-H(15) bond length is 1.09 Å. In the twelfth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(15), one N(2), and one H(16) atom. The C(16)-N(2) bond length is 1.35 Å. The C(16)-H(16) bond length is 1.09 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Ni(1), one C(1), and one C(4) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ni(1), one C(14), and one C(16) atom. In the third N site, N(3) is bonded in a distorted bent 120 degrees geometry to one C(5) and one N(3) atom. The N(3)-N(3) bond length is 1.26 Å. In the fourth N site, N(4) is bonded in a distorted bent 120 degrees geometry to one C(13) and one N(4) atom. The N(4)-N(4) bond length is 1.26 Å. There are twelve 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 distorted linear geometry to one O(1) and one O(2) atom. The H(2)-O(1) bond length is 1.01 Å. The H(2)-O(2) bond length is 1.65 Å. In the third H site, H(3) is bonded in a distorted linear geometry to one O(1) and one O(6) atom. The H(3)-O(1) bond length is 1.00 Å. The H(3)-O(6) bond length is 1.67 Å. In the fourth H site, H(4) is bonded in a distorted bent 150 degrees geometry to one O(4) and one O(6) atom. The H(4)-O(4) bond length is 1.01 Å. The H(4)-O(6) bond length is 1.60 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(4) atom. The H(5)-O(4) bond length is 0.97 Å. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(4) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(6) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(8) atom. In the ninth H site, H(13) is bonded in a single-bond geometry to one C(12) atom. In the tenth H site, H(14) is bonded in a single-bond geometry to one C(14) atom. In the eleventh H site, H(15) is bonded in a single-bond geometry to one C(15) atom. In the twelfth H site, H(16) is bonded in a single-bond geometry to one C(16) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ni(1), one H(2), and one H(3) atom. In the second O site, O(2) is bonded in a water-like geometry to one C(10) and one H(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(9) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Ni(1), one H(4), and one H(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(10) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one C(9), one H(3), and one H(4) atom. Linkers: 4 c1cc([N][N]c2ccncc2)ccn1 ,4 [O]C(=O)/C=C/C=C/C([O])=O. Metal clusters: 4 O.O.O=[C]O[Ni]O[C]=O. The MOF has largest included sphere 5.05 A, density 1.34 g/cm3, surface area 4711.46 m2/g, accessible volume 0.22 cm3/g