CHCuC23H14Br(NO2)3 crystallizes in the monoclinic P2/c space group. The structure consists of eight 02329_fluka molecules inside a CuC23H14Br(NO2)3 framework. In each CuC23H14Br(NO2)3 framework, there are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a tetrahedral geometry to one N(2), one N(3), one N(4), and one Br(1) atom. The Cu(1)-N(2) bond length is 1.99 Å. The Cu(1)-N(3) bond length is 1.99 Å. The Cu(1)-N(4) bond length is 2.02 Å. The Cu(1)-Br(1) bond length is 2.46 Å. In the second Cu site, Cu(2) is bonded in a tetrahedral geometry to one N(1), one N(5), one N(6), and one Br(2) atom. The Cu(2)-N(1) bond length is 2.03 Å. The Cu(2)-N(5) bond length is 1.99 Å. The Cu(2)-N(6) bond length is 2.00 Å. The Cu(2)-Br(2) bond length is 2.44 Å. There are forty-six inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one O(1) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-C(6) bond length is 1.39 Å. The C(1)-O(1) bond length is 1.39 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one H(1) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-H(1) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one O(2) atom. The C(3)-O(2) bond length is 1.40 Å. In the fourth C site, C(5) is bonded in a distorted single-bond geometry to one C(6) and one O(3) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-O(3) bond length is 1.40 Å. In the fifth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(1), one C(5), and one H(3) atom. The C(6)-H(3) bond length is 1.09 Å. In the sixth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(10), one O(1), and one O(4) atom. The C(7)-C(10) bond length is 1.48 Å. The C(7)-O(1) bond length is 1.38 Å. The C(7)-O(4) bond length is 1.22 Å. In the seventh C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(15), one O(2), and one O(5) atom. The C(8)-C(15) bond length is 1.48 Å. The C(8)-O(2) bond length is 1.38 Å. The C(8)-O(5) bond length is 1.22 Å. In the eighth C site, C(9) is bonded in a bent 120 degrees geometry to one C(20), one O(3), and one O(6) atom. The C(9)-C(20) bond length is 1.48 Å. The C(9)-O(3) bond length is 1.38 Å. The C(9)-O(6) bond length is 1.22 Å. In the ninth C site, C(10) is bonded in a trigonal planar geometry to one C(11), one C(14), and one C(7) atom. The C(10)-C(11) bond length is 1.40 Å. The C(10)-C(14) bond length is 1.40 Å. In the tenth C site, C(11) is bonded in a distorted single-bond geometry to one C(10), one C(12), and one H(4) atom. The C(11)-C(12) bond length is 1.39 Å. The C(11)-H(4) bond length is 1.09 Å. In the eleventh C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one N(3), and one H(5) atom. The C(12)-N(3) bond length is 1.35 Å. The C(12)-H(5) bond length is 1.09 Å. In the twelfth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(14), one N(3), and one H(6) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-N(3) bond length is 1.35 Å. The C(13)-H(6) bond length is 1.09 Å. In the thirteenth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(10), one C(13), and one H(7) atom. The C(14)-H(7) bond length is 1.09 Å. In the fourteenth C site, C(15) is bonded in a trigonal planar geometry to one C(16), one C(19), and one C(8) atom. The C(15)-C(16) bond length is 1.40 Å. The C(15)-C(19) bond length is 1.40 Å. In the fifteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(15) and one H(8) atom. The C(16)-H(8) bond length is 1.09 Å. In the sixteenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(9) atom. The C(17)-N(1) bond length is 1.35 Å. The C(17)-H(9) bond length is 1.09 Å. In the seventeenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(19), one N(1), and one H(10) atom. The C(18)-C(19) bond length is 1.39 Å. The C(18)-N(1) bond length is 1.35 Å. The C(18)-H(10) bond length is 1.09 Å. In the eighteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(15), one C(18), and one H(11) atom. The C(19)-H(11) bond length is 1.09 Å. In the nineteenth C site, C(20) is bonded in a trigonal planar geometry to one C(21), one C(24), and one C(9) atom. The C(20)-C(21) bond length is 1.40 Å. The C(20)-C(24) bond length is 1.40 Å. In the twentieth C site, C(21) is bonded in a distorted trigonal planar geometry to one C(20), one C(22), and one H(12) atom. The C(21)-C(22) bond length is 1.38 Å. The C(21)-H(12) bond length is 1.09 Å. In the twenty-first C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(21), one N(2), and one H(13) atom. The C(22)-N(2) bond length is 1.35 Å. The C(22)-H(13) bond length is 1.09 Å. In the twenty-second C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(24), one N(2), and one H(14) atom. The C(23)-C(24) bond length is 1.39 Å. The C(23)-N(2) bond length is 1.35 Å. The C(23)-H(14) bond length is 1.09 Å. In the twenty-third C site, C(24) is bonded in a distorted trigonal planar geometry to one C(20), one C(23), and one H(15) atom. The C(24)-H(15) bond length is 1.09 Å. In the twenty-fourth C site, C(25) is bonded in a distorted single-bond geometry to one C(30) and one O(7) atom. The C(25)-C(30) bond length is 1.39 Å. The C(25)-O(7) bond length is 1.40 Å. In the twenty-fifth C site, C(27) is bonded in a distorted single-bond geometry to one C(28) and one O(8) atom. The C(27)-C(28) bond length is 1.39 Å. The C(27)-O(8) bond length is 1.40 Å. In the twenty-sixth C site, C(28) is bonded in a distorted trigonal planar geometry to one C(27), one C(29), and one H(17) atom. The C(28)-C(29) bond length is 1.39 Å. The C(28)-H(17) bond length is 1.09 Å. In the twenty-seventh C site, C(29) is bonded in a distorted single-bond geometry to one C(28), one C(30), and one O(9) atom. The C(29)-C(30) bond length is 1.39 Å. The C(29)-O(9) bond length is 1.39 Å. In the twenty-eighth C site, C(30) is bonded in a distorted trigonal planar geometry to one C(25), one C(29), and one H(18) atom. The C(30)-H(18) bond length is 1.09 Å. In the twenty-ninth C site, C(31) is bonded in a distorted bent 120 degrees geometry to one C(34), one O(10), and one O(7) atom. The C(31)-C(34) bond length is 1.48 Å. The C(31)-O(10) bond length is 1.22 Å. The C(31)-O(7) bond length is 1.38 Å. In the thirtieth C site, C(32) is bonded in a bent 120 degrees geometry to one C(39), one O(11), and one O(8) atom. The C(32)-C(39) bond length is 1.48 Å. The C(32)-O(11) bond length is 1.22 Å. The C(32)-O(8) bond length is 1.38 Å. In the thirty-first C site, C(33) is bonded in a distorted bent 120 degrees geometry to one C(44), one O(12), and one O(9) atom. The C(33)-C(44) bond length is 1.48 Å. The C(33)-O(12) bond length is 1.22 Å. The C(33)-O(9) bond length is 1.38 Å. In the thirty-second C site, C(34) is bonded in a trigonal planar geometry to one C(31), one C(35), and one C(38) atom. The C(34)-C(35) bond length is 1.40 Å. The C(34)-C(38) bond length is 1.40 Å. In the thirty-third C site, C(35) is bonded in a distorted single-bond geometry to one C(34) and one H(19) atom. The C(35)-H(19) bond length is 1.09 Å. In the thirty-fourth C site, C(36) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(20) atom. The C(36)-N(4) bond length is 1.35 Å. The C(36)-H(20) bond length is 1.09 Å. In the thirty-fifth C site, C(37) is bonded in a distorted bent 120 degrees geometry to one C(38), one N(4), and one H(21) atom. The C(37)-C(38) bond length is 1.39 Å. The C(37)-N(4) bond length is 1.35 Å. The C(37)-H(21) bond length is 1.09 Å. In the thirty-sixth C site, C(38) is bonded in a distorted trigonal planar geometry to one C(34), one C(37), and one H(22) atom. The C(38)-H(22) bond length is 1.09 Å. In the thirty-seventh C site, C(39) is bonded in a trigonal planar geometry to one C(32), one C(40), and one C(43) atom. The C(39)-C(40) bond length is 1.40 Å. The C(39)-C(43) bond length is 1.40 Å. In the thirty-eighth C site, C(40) is bonded in a distorted trigonal planar geometry to one C(39), one C(41), and one H(23) atom. The C(40)-C(41) bond length is 1.38 Å. The C(40)-H(23) bond length is 1.09 Å. In the thirty-ninth C site, C(41) is bonded in a distorted bent 120 degrees geometry to one C(40), one N(5), and one H(24) atom. The C(41)-N(5) bond length is 1.35 Å. The C(41)-H(24) bond length is 1.09 Å. In the fortieth C site, C(42) is bonded in a distorted bent 120 degrees geometry to one C(43), one N(5), and one H(25) atom. The C(42)-C(43) bond length is 1.39 Å. The C(42)-N(5) bond length is 1.35 Å. The C(42)-H(25) bond length is 1.09 Å. In the forty-first C site, C(43) is bonded in a distorted trigonal planar geometry to one C(39), one C(42), and one H(26) atom. The C(43)-H(26) bond length is 1.09 Å. In the forty-second C site, C(44) is bonded in a trigonal planar geometry to one C(33), one C(45), and one C(48) atom. The C(44)-C(45) bond length is 1.40 Å. The C(44)-C(48) bond length is 1.40 Å. In the forty-third C site, C(45) is bonded in a distorted single-bond geometry to one C(44), one C(46), and one H(27) atom. The C(45)-C(46) bond length is 1.39 Å. The C(45)-H(27) bond length is 1.09 Å. In the forty-fourth C site, C(46) is bonded in a distorted trigonal planar geometry to one C(45), one N(6), and one H(28) atom. The C(46)-N(6) bond length is 1.35 Å. The C(46)-H(28) bond length is 1.09 Å. In the forty-fifth C site, C(47) is bonded in a distorted bent 120 degrees geometry to one C(48), one N(6), and one H(29) atom. The C(47)-C(48) bond length is 1.39 Å. The C(47)-N(6) bond length is 1.35 Å. The C(47)-H(29) bond length is 1.09 Å. In the forty-sixth C site, C(48) is bonded in a distorted trigonal planar geometry to one C(44), one C(47), and one H(30) atom. The C(48)-H(30) bond length is 1.09 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(2), one C(17), and one C(18) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(22), and one C(23) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(1), one C(12), and one C(13) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(36), and one C(37) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cu(2), one C(41), and one C(42) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cu(2), one C(46), and one C(47) atom. There are twenty-eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(11) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(12) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(16) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(17) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(18) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(19) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(21) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(22) atom. In the thirteenth H site, H(14) is bonded in a single-bond geometry to one C(23) atom. In the fourteenth H site, H(15) is bonded in a single-bond geometry to one C(24) atom. In the fifteenth H site, H(17) is bonded in a single-bond geometry to one C(28) atom. In the sixteenth H site, H(18) is bonded in a single-bond geometry to one C(30) atom. In the seventeenth H site, H(19) is bonded in a single-bond geometry to one C(35) atom. In the eighteenth H site, H(20) is bonded in a single-bond geometry to one C(36) atom. In the nineteenth H site, H(21) is bonded in a single-bond geometry to one C(37) atom. In the twentieth H site, H(22) is bonded in a single-bond geometry to one C(38) atom. In the twenty-first H site, H(23) is bonded in a single-bond geometry to one C(40) atom. In the twenty-second H site, H(24) is bonded in a single-bond geometry to one C(41) atom. In the twenty-third H site, H(25) is bonded in a single-bond geometry to one C(42) atom. In the twenty-fourth H site, H(26) is bonded in a single-bond geometry to one C(43) atom. In the twenty-fifth H site, H(27) is bonded in a single-bond geometry to one C(45) atom. In the twenty-sixth H site, H(28) is bonded in a single-bond geometry to one C(46) atom. In the twenty-seventh H site, H(29) is bonded in a single-bond geometry to one C(47) atom. In the twenty-eighth H site, H(30) is bonded in a single-bond geometry to one C(48) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one C(1) and one C(7) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one C(3) and one C(8) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one C(5) and one C(9) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(7) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(8) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one C(9) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one C(25) and one C(31) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one C(27) and one C(32) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one C(29) and one C(33) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one C(31) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one C(32) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one C(33) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Cu(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Cu(2) atom. Linkers: 8 O=C(Oc1cc(OC(=O)c2ccncc2)cc(OC(=O)c2ccncc2)c1)c1ccncc1. Metal clusters: 8 [Cu]Br. The MOF has largest included sphere 9.33 A, density 1.14 g/cm3, surface area 4276.90 m2/g, accessible volume 0.35 cm3/g