CuC8H8(NO)3(CH3)2CH crystallizes in the monoclinic P2_1 space group. The structure consists of eight 02329_fluka molecules and sixteen 02329_fluka molecules inside a CuC8H8(NO)3 framework. In the CuC8H8(NO)3 framework, there are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square pyramidal geometry to one N(3), one N(7), one O(11), one O(3), and one O(5) atom. The Cu(1)-N(3) bond length is 1.92 Å. The Cu(1)-N(7) bond length is 1.95 Å. The Cu(1)-O(11) bond length is 2.24 Å. The Cu(1)-O(3) bond length is 2.02 Å. The Cu(1)-O(5) bond length is 2.06 Å. In the second Cu site, Cu(2) is bonded in a square pyramidal geometry to one N(4), one N(8), one O(12), one O(4), and one O(6) atom. The Cu(2)-N(4) bond length is 1.92 Å. The Cu(2)-N(8) bond length is 1.95 Å. The Cu(2)-O(12) bond length is 2.23 Å. The Cu(2)-O(4) bond length is 2.03 Å. The Cu(2)-O(6) bond length is 2.06 Å. In the third Cu site, Cu(3) is bonded in a square pyramidal geometry to one N(1), one N(9), one O(1), one O(7), and one O(9) atom. The Cu(3)-N(1) bond length is 1.93 Å. The Cu(3)-N(9) bond length is 1.97 Å. The Cu(3)-O(1) bond length is 2.29 Å. The Cu(3)-O(7) bond length is 2.02 Å. The Cu(3)-O(9) bond length is 2.01 Å. In the fourth Cu site, Cu(4) is bonded in a square pyramidal geometry to one N(10), one N(2), one O(10), one O(2), and one O(8) atom. The Cu(4)-N(10) bond length is 1.97 Å. The Cu(4)-N(2) bond length is 1.93 Å. The Cu(4)-O(10) bond length is 2.01 Å. The Cu(4)-O(2) bond length is 2.29 Å. The Cu(4)-O(8) bond length is 2.03 Å. There are thirty-one inequivalent C sites. In the first C site, C(7) is bonded in a distorted water-like geometry to one N(3) and one H(15,17) atom. The C(7)-N(3) bond length is 1.45 Å. The C(7)-H(15,17) bond length is 1.11 Å. In the second C site, C(8) is bonded in a distorted water-like geometry to one N(4) and one H(16) atom. The C(8)-N(4) bond length is 1.45 Å. The C(8)-H(16) bond length is 1.11 Å. In the third C site, C(9) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(3) atom. The C(9)-O(1) bond length is 1.25 Å. The C(9)-O(3) bond length is 1.30 Å. In the fourth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(4) atom. The C(10)-O(2) bond length is 1.25 Å. The C(10)-O(4) bond length is 1.30 Å. In the fifth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(3) and one O(7) atom. The C(11)-N(3) bond length is 1.31 Å. The C(11)-O(7) bond length is 1.28 Å. In the sixth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one N(4) and one O(8) atom. The C(12)-N(4) bond length is 1.31 Å. The C(12)-O(8) bond length is 1.28 Å. In the seventh C site, C(13) is bonded in a distorted bent 120 degrees geometry to one N(1) and one O(5) atom. The C(13)-N(1) bond length is 1.31 Å. The C(13)-O(5) bond length is 1.28 Å. In the eighth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one N(2) and one O(6) atom. The C(14)-N(2) bond length is 1.31 Å. The C(14)-O(6) bond length is 1.28 Å. In the ninth C site, C(15) is bonded in a distorted water-like geometry to one N(1) and one H(15,17) atom. The C(15)-N(1) bond length is 1.45 Å. The C(15)-H(15,17) bond length is 1.10 Å. In the tenth C site, C(16) is bonded in a distorted water-like geometry to one N(2) and one H(18) atom. The C(16)-N(2) bond length is 1.45 Å. The C(16)-H(18) bond length is 1.10 Å. In the eleventh C site, C(17) is bonded in a distorted bent 120 degrees geometry to one O(11) and one O(9) atom. The C(17)-O(11) bond length is 1.25 Å. The C(17)-O(9) bond length is 1.30 Å. In the twelfth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(12) atom. The C(18)-O(10) bond length is 1.30 Å. The C(18)-O(12) bond length is 1.25 Å. In the thirteenth C site, C(25,26) is bonded in a distorted trigonal non-coplanar geometry to one C(27), one H(33), one H(35), and one H(37) atom. The C(25,26)-C(27) bond length is 1.49 Å. The C(25,26)-H(33) bond length is 1.10 Å. The C(25,26)-H(35) bond length is 1.10 Å. The C(25,26)-H(37) bond length is 1.10 Å. In the fourteenth C site, C(27) is bonded in a distorted trigonal planar geometry to one C(25,26); one C(29); and one N(5) atom. The C(27)-C(29) bond length is 1.40 Å. The C(27)-N(5) bond length is 1.35 Å. In the fifteenth C site, C(28) is bonded in a distorted trigonal planar geometry to one C(25,26); one C(30); and one N(6) atom. The C(28)-C(25,26) bond length is 1.49 Å. The C(28)-C(30) bond length is 1.40 Å. The C(28)-N(6) bond length is 1.35 Å. In the sixteenth C site, C(29) is bonded in a trigonal planar geometry to one C(27), one C(30), and one C(31) atom. The C(29)-C(30) bond length is 1.46 Å. The C(29)-C(31) bond length is 1.42 Å. In the seventeenth C site, C(30) is bonded in a trigonal planar geometry to one C(28), one C(29), and one C(32) atom. The C(30)-C(32) bond length is 1.42 Å. In the eighteenth C site, C(31) is bonded in a distorted single-bond geometry to one C(29), one C(33), and one N(7) atom. The C(31)-C(33) bond length is 1.49 Å. The C(31)-N(7) bond length is 1.34 Å. In the nineteenth C site, C(32) is bonded in a distorted single-bond geometry to one C(30), one C(34), and one N(8) atom. The C(32)-C(34) bond length is 1.49 Å. The C(32)-N(8) bond length is 1.34 Å. In the twentieth C site, C(33) is bonded in a distorted trigonal non-coplanar geometry to one C(31); one H(39); one H(41,42); and one H(43,44) atom. The C(33)-H(39) bond length is 1.10 Å. The C(33)-H(41,42) bond length is 1.10 Å. The C(33)-H(43,44) bond length is 1.10 Å. In the twenty-first C site, C(34) is bonded in a distorted trigonal non-coplanar geometry to one C(32); one H(40); one H(41,42); and one H(43,44) atom. The C(34)-H(40) bond length is 1.10 Å. The C(34)-H(41,42) bond length is 1.10 Å. The C(34)-H(43,44) bond length is 1.10 Å. In the twenty-second C site, C(35) is bonded in a distorted trigonal non-coplanar geometry to one C(37), one H(45), one H(47), and one H(49) atom. The C(35)-C(37) bond length is 1.49 Å. The C(35)-H(45) bond length is 1.10 Å. The C(35)-H(47) bond length is 1.10 Å. The C(35)-H(49) bond length is 1.10 Å. In the twenty-third C site, C(36) is bonded in a distorted trigonal non-coplanar geometry to one C(38), one H(46), one H(48), and one H(50) atom. The C(36)-C(38) bond length is 1.49 Å. The C(36)-H(46) bond length is 1.10 Å. The C(36)-H(48) bond length is 1.10 Å. The C(36)-H(50) bond length is 1.10 Å. In the twenty-fourth C site, C(37) is bonded in a distorted single-bond geometry to one C(35), one C(39), and one N(9) atom. The C(37)-C(39) bond length is 1.42 Å. The C(37)-N(9) bond length is 1.34 Å. In the twenty-fifth C site, C(38) is bonded in a distorted single-bond geometry to one C(36), one C(40), and one N(10) atom. The C(38)-C(40) bond length is 1.42 Å. The C(38)-N(10) bond length is 1.35 Å. In the twenty-sixth C site, C(39) is bonded in a trigonal planar geometry to one C(37), one C(40), and one C(41) atom. The C(39)-C(40) bond length is 1.46 Å. The C(39)-C(41) bond length is 1.41 Å. In the twenty-seventh C site, C(40) is bonded in a trigonal planar geometry to one C(38), one C(39), and one C(42) atom. The C(40)-C(42) bond length is 1.41 Å. In the twenty-eighth C site, C(41) is bonded in a distorted trigonal planar geometry to one C(39), one C(43), and one N(11) atom. The C(41)-C(43) bond length is 1.49 Å. The C(41)-N(11) bond length is 1.35 Å. In the twenty-ninth C site, C(42) is bonded in a distorted trigonal planar geometry to one C(40), one C(44), and one N(12) atom. The C(42)-C(44) bond length is 1.49 Å. The C(42)-N(12) bond length is 1.35 Å. In the thirtieth C site, C(43) is bonded in a distorted trigonal non-coplanar geometry to one C(41); one H(51,52); one H(53,54); and one H(55,56) atom. The C(43)-H(51,52) bond length is 1.10 Å. The C(43)-H(53,54) bond length is 1.10 Å. The C(43)-H(55,56) bond length is 1.10 Å. In the thirty-first C site, C(44) is bonded in a distorted trigonal non-coplanar geometry to one C(42); one H(51,52); one H(53,54); and one H(55,56) atom. The C(44)-H(51,52) bond length is 1.10 Å. The C(44)-H(53,54) bond length is 1.10 Å. The C(44)-H(55,56) bond length is 1.10 Å. There are twelve inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(3), one C(13), and one C(15) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(4), one C(14), and one C(16) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(1), one C(11), and one C(7) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(2), one C(12), and one C(8) atom. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one C(27), one N(7), and one H(57) atom. The N(5)-N(7) bond length is 1.35 Å. The N(5)-H(57) bond length is 1.05 Å. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one C(28), one N(8), and one H(58) atom. The N(6)-N(8) bond length is 1.35 Å. The N(6)-H(58) bond length is 1.05 Å. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(31), and one N(5) atom. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(32), and one N(6) atom. In the ninth N site, N(9) is bonded in a distorted trigonal planar geometry to one Cu(3), one C(37), and one N(11) atom. The N(9)-N(11) bond length is 1.35 Å. In the tenth N site, N(10) is bonded in a distorted trigonal planar geometry to one Cu(4), one C(38), and one N(12) atom. The N(10)-N(12) bond length is 1.35 Å. In the eleventh N site, N(11) is bonded in a 3-coordinate geometry to one C(41), one N(9), and one H(59) atom. The N(11)-H(59) bond length is 1.05 Å. In the twelfth N site, N(12) is bonded in a 3-coordinate geometry to one C(42), one N(10), and one H(60) atom. The N(12)-H(60) bond length is 1.05 Å. There are twenty-six inequivalent H sites. In the first H site, H(15,17) is bonded in a single-bond geometry to one C(7) atom. In the second H site, H(16) is bonded in a single-bond geometry to one C(8) atom. In the third H site, H(18) is bonded in a single-bond geometry to one C(16) atom. In the fourth H site, H(33) is bonded in a single-bond geometry to one C(25,26) atom. In the fifth H site, H(34) is bonded in a single-bond geometry to one C(25,26) atom. The H(34)-C(25,26) bond length is 1.10 Å. In the sixth H site, H(35) is bonded in a single-bond geometry to one C(25,26) atom. In the seventh H site, H(36) is bonded in a single-bond geometry to one C(25,26) atom. The H(36)-C(25,26) bond length is 1.10 Å. In the eighth H site, H(37) is bonded in a single-bond geometry to one C(25,26) atom. In the ninth H site, H(38) is bonded in a single-bond geometry to one C(25,26) atom. The H(38)-C(25,26) bond length is 1.10 Å. In the tenth H site, H(39) is bonded in a single-bond geometry to one C(33) atom. In the eleventh H site, H(40) is bonded in a single-bond geometry to one C(34) atom. In the twelfth H site, H(41,42) is bonded in a single-bond geometry to one C(33) atom. In the thirteenth H site, H(43,44) is bonded in a single-bond geometry to one C(33) atom. In the fourteenth H site, H(45) is bonded in a single-bond geometry to one C(35) atom. In the fifteenth H site, H(46) is bonded in a single-bond geometry to one C(36) atom. In the sixteenth H site, H(47) is bonded in a single-bond geometry to one C(35) atom. In the seventeenth H site, H(48) is bonded in a single-bond geometry to one C(36) atom. In the eighteenth H site, H(49) is bonded in a single-bond geometry to one C(35) atom. In the nineteenth H site, H(50) is bonded in a single-bond geometry to one C(36) atom. In the twentieth H site, H(51,52) is bonded in a single-bond geometry to one C(43) atom. In the twenty-first H site, H(53,54) is bonded in a single-bond geometry to one C(43) atom. In the twenty-second H site, H(55,56) is bonded in a single-bond geometry to one C(43) atom. In the twenty-third H site, H(57) is bonded in a single-bond geometry to one N(5) atom. In the twenty-fourth H site, H(58) is bonded in a single-bond geometry to one N(6) atom. In the twenty-fifth H site, H(59) is bonded in a single-bond geometry to one N(11) atom. In the twenty-sixth H site, H(60) is bonded in a single-bond geometry to one N(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cu(3) and one C(9) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cu(4) and one C(10) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Cu(1) and one C(9) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Cu(2) and one C(10) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Cu(1) and one C(13) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Cu(2) and one C(14) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Cu(3) and one C(11) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Cu(4) and one C(12) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Cu(3) and one C(17) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Cu(4) and one C(18) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cu(1) and one C(17) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Cu(2) and one C(18) atom. Linkers: 4 Cc1n[nH]c(C)c1-c1c(C)n[nH]c1C ,3 CC(C)[C@H]([N]C(=O)C(=O)[N][C@H](C([O])=O)C(C)C)C([O])=O. Metal clusters: 8 [Cu]. The MOF has largest included sphere 3.81 A, density 1.32 g/cm3, surface area 4583.24 m2/g, accessible volume 0.31 cm3/g