NiC18H16(NO3)2CH crystallizes in the monoclinic P2_1 space group. The structure consists of four 02329_fluka molecules inside a NiC18H16(NO3)2 framework. In the NiC18H16(NO3)2 framework, there are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in an octahedral geometry to one N(1,2); one N(3,4); one O(1); one O(11,12); one O(3,4); and one O(5) atom. The Ni(1)-N(1,2) bond length is 1.99 Å. The Ni(1)-N(3,4) bond length is 1.99 Å. The Ni(1)-O(1) bond length is 2.26 Å. The Ni(1)-O(11,12) bond length is 2.10 Å. The Ni(1)-O(3,4) bond length is 2.23 Å. The Ni(1)-O(5) bond length is 2.11 Å. In the second Ni site, Ni(2) is bonded in an octahedral geometry to one N(1,2); one N(3,4); one O(11,12); one O(2); one O(3,4); and one O(6) atom. The Ni(2)-N(1,2) bond length is 1.99 Å. The Ni(2)-N(3,4) bond length is 1.99 Å. The Ni(2)-O(11,12) bond length is 2.10 Å. The Ni(2)-O(2) bond length is 2.26 Å. The Ni(2)-O(3,4) bond length is 2.23 Å. The Ni(2)-O(6) bond length is 2.11 Å. There are twenty-six inequivalent C sites. In the first C site, C(29,30) is bonded in a distorted water-like geometry to one C(23,24); one H(25,26); and one H(27,28) atom. The C(29,30)-C(23,24) bond length is 1.50 Å. The C(29,30)-H(25,26) bond length is 1.10 Å. The C(29,30)-H(27,28) bond length is 1.10 Å. In the second C site, C(31,32) is bonded in a distorted single-bond geometry to one C(23,24) and one H(29,30) atom. The C(31,32)-C(23,24) bond length is 1.40 Å. The C(31,32)-H(29,30) bond length is 1.09 Å. In the third C site, C(33) is bonded in a distorted trigonal planar geometry to one C(27,28); one N(3,4); and one H(31,32) atom. The C(33)-C(27,28) bond length is 1.39 Å. The C(33)-N(3,4) bond length is 1.35 Å. The C(33)-H(31,32) bond length is 1.09 Å. In the fourth C site, C(34) is bonded in a distorted trigonal planar geometry to one C(27,28); one N(3,4); and one H(31,32) atom. The C(34)-C(27,28) bond length is 1.39 Å. The C(34)-N(3,4) bond length is 1.35 Å. The C(34)-H(31,32) bond length is 1.09 Å. In the fifth C site, C(35) is bonded in a trigonal planar geometry to one C(11,12); one C(3); and one C(9,10) atom. The C(35)-C(11,12) bond length is 1.48 Å. The C(35)-C(3) bond length is 1.41 Å. The C(35)-C(9,10) bond length is 1.40 Å. In the sixth C site, C(36) is bonded in a trigonal planar geometry to one C(11,12); one C(4); and one C(9,10) atom. The C(36)-C(11,12) bond length is 1.48 Å. The C(36)-C(4) bond length is 1.41 Å. The C(36)-C(9,10) bond length is 1.40 Å. In the seventh C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(1), and one O(7) atom. The C(1)-C(3) bond length is 1.51 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(7) bond length is 1.28 Å. In the eighth C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(2), and one O(8) atom. The C(2)-C(4) bond length is 1.51 Å. The C(2)-O(2) bond length is 1.27 Å. The C(2)-O(8) bond length is 1.28 Å. In the ninth C site, C(3) is bonded in a trigonal planar geometry to one C(1); one C(35); and one C(5,6) atom. The C(3)-C(5,6) bond length is 1.40 Å. In the tenth C site, C(4) is bonded in a trigonal planar geometry to one C(2); one C(36); and one C(5,6) atom. The C(4)-C(5,6) bond length is 1.40 Å. In the eleventh C site, C(5,6) is bonded in a distorted single-bond geometry to one C(3); one C(7,8); and one H(1,2) atom. The C(5,6)-C(7,8) bond length is 1.39 Å. The C(5,6)-H(1,2) bond length is 1.09 Å. In the twelfth C site, C(7,8) is bonded in a distorted single-bond geometry to one C(21,22); one C(5,6); and one H(3,4) atom. The C(7,8)-C(21,22) bond length is 1.40 Å. The C(7,8)-H(3,4) bond length is 1.09 Å. In the thirteenth C site, C(9,10) is bonded in a distorted single-bond geometry to one C(21,22); one C(35); and one H(9,10) atom. The C(9,10)-C(21,22) bond length is 1.40 Å. The C(9,10)-H(9,10) bond length is 1.09 Å. In the fourteenth C site, C(11,12) is bonded in a trigonal planar geometry to one C(15), one C(19), and one C(35) atom. The C(11,12)-C(15) bond length is 1.40 Å. The C(11,12)-C(19) bond length is 1.40 Å. In the fifteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(21,22); one O(3,4); and one O(9,10) atom. The C(13)-C(21,22) bond length is 1.50 Å. The C(13)-O(3,4) bond length is 1.27 Å. The C(13)-O(9,10) bond length is 1.28 Å. In the sixteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(21,22); one O(3,4); and one O(9,10) atom. The C(14)-C(21,22) bond length is 1.50 Å. The C(14)-O(3,4) bond length is 1.27 Å. The C(14)-O(9,10) bond length is 1.28 Å. In the seventeenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(11,12); one N(1,2); and one H(11,12) atom. The C(15)-N(1,2) bond length is 1.35 Å. The C(15)-H(11,12) bond length is 1.09 Å. In the eighteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(11,12); one N(1,2); and one H(11,12) atom. The C(16)-C(11,12) bond length is 1.40 Å. The C(16)-N(1,2) bond length is 1.35 Å. The C(16)-H(11,12) bond length is 1.09 Å. In the nineteenth C site, C(17,18) is bonded in a distorted bent 120 degrees geometry to one N(1,2) and one H(13,14) atom. The C(17,18)-N(1,2) bond length is 1.35 Å. The C(17,18)-H(13,14) bond length is 1.09 Å. In the twentieth C site, C(19) is bonded in a distorted single-bond geometry to one C(11,12) and one H(19,20) atom. The C(19)-H(19,20) bond length is 1.09 Å. In the twenty-first C site, C(20) is bonded in a distorted single-bond geometry to one C(11,12) and one H(19,20) atom. The C(20)-C(11,12) bond length is 1.40 Å. The C(20)-H(19,20) bond length is 1.09 Å. In the twenty-second C site, C(21,22) is bonded in a trigonal planar geometry to one C(13); one C(7,8); and one C(9,10) atom. In the twenty-third C site, C(23,24) is bonded in a trigonal planar geometry to one C(27,28); one C(29,30); and one C(31,32) atom. The C(23,24)-C(27,28) bond length is 1.40 Å. In the twenty-fourth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one N(3,4) and one H(21,22) atom. The C(25)-N(3,4) bond length is 1.35 Å. The C(25)-H(21,22) bond length is 1.09 Å. In the twenty-fifth C site, C(26) is bonded in a distorted bent 120 degrees geometry to one N(3,4) and one H(21,22) atom. The C(26)-N(3,4) bond length is 1.35 Å. The C(26)-H(21,22) bond length is 1.09 Å. In the twenty-sixth C site, C(27,28) is bonded in a distorted single-bond geometry to one C(23,24); one C(33); and one H(23,24) atom. The C(27,28)-H(23,24) bond length is 1.09 Å. There are two inequivalent N sites. In the first N site, N(1,2) is bonded in a trigonal planar geometry to one Ni(2); one C(15); and one C(17,18) atom. In the second N site, N(3,4) is bonded in a trigonal planar geometry to one Ni(1), one C(25), and one C(33) atom. There are nineteen inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(5,6) atom. In the second H site, H(3,4) is bonded in a single-bond geometry to one C(7,8) atom. In the third H site, H(5) is bonded in a single-bond geometry to one O(5) and one O(9,10) atom. The H(5)-O(5) bond length is 1.00 Å. The H(5)-O(9,10) bond length is 1.72 Å. In the fourth H site, H(6) is bonded in a single-bond geometry to one O(6) and one O(9,10) atom. The H(6)-O(6) bond length is 1.00 Å. The H(6)-O(9,10) bond length is 1.72 Å. In the fifth H site, H(7) is bonded in a distorted single-bond geometry to one O(5) and one O(7) atom. The H(7)-O(5) bond length is 1.01 Å. The H(7)-O(7) bond length is 1.66 Å. In the sixth H site, H(8) is bonded in a distorted single-bond geometry to one O(6) and one O(8) atom. The H(8)-O(6) bond length is 1.01 Å. The H(8)-O(8) bond length is 1.66 Å. In the seventh H site, H(9,10) is bonded in a single-bond geometry to one C(9,10) atom. In the eighth H site, H(11,12) is bonded in a single-bond geometry to one C(15) atom. In the ninth H site, H(13,14) is bonded in a single-bond geometry to one C(17,18) atom. In the tenth H site, H(15,16) is bonded in a single-bond geometry to one O(11,12) atom. The H(15,16)-O(11,12) bond length is 0.99 Å. In the eleventh H site, H(17) is bonded in a distorted linear geometry to one O(11,12) and one O(9,10) atom. The H(17)-O(11,12) bond length is 1.01 Å. The H(17)-O(9,10) bond length is 1.63 Å. In the twelfth H site, H(18) is bonded in a distorted linear geometry to one O(11,12) and one O(9,10) atom. The H(18)-O(11,12) bond length is 1.01 Å. The H(18)-O(9,10) bond length is 1.63 Å. In the thirteenth H site, H(19,20) is bonded in a single-bond geometry to one C(19) atom. In the fourteenth H site, H(21,22) is bonded in a single-bond geometry to one C(25) atom. In the fifteenth H site, H(23,24) is bonded in a single-bond geometry to one C(27,28) atom. In the sixteenth H site, H(25,26) is bonded in a single-bond geometry to one C(29,30) atom. In the seventeenth H site, H(27,28) is bonded in a single-bond geometry to one C(29,30) atom. In the eighteenth H site, H(29,30) is bonded in a single-bond geometry to one C(31,32) atom. In the nineteenth H site, H(31,32) is bonded in a single-bond geometry to one C(33) atom. There are nine 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(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one C(2) atom. In the third O site, O(3,4) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one C(13) atom. In the fourth O site, O(5) is bonded in a distorted water-like geometry to one Ni(1), one H(5), and one H(7) atom. In the fifth O site, O(6) is bonded in a distorted water-like geometry to one Ni(2), one H(6), and one H(8) atom. In the sixth O site, O(7) is bonded in a distorted water-like geometry to one C(1) and one H(7) atom. In the seventh O site, O(8) is bonded in a distorted water-like geometry to one C(2) and one H(8) atom. In the eighth O site, O(9,10) is bonded in a 3-coordinate geometry to one C(13), one H(17), and one H(6) atom. In the ninth O site, O(11,12) is bonded in a distorted water-like geometry to one Ni(1); one H(15,16); and one H(17) atom. Linkers: 4 [O]C(=O)c1ccc(C([O])=O)c(-c2cccnc2)c1 ,2 c1cc(CCc2ccncc2)ccn1. Metal clusters: 4 O.O.O=[C]O[Ni]O[C]=O. The MOF has largest included sphere 3.05 A, density 1.48 g/cm3, surface area 4306.77 m2/g, accessible volume 0.16 cm3/g