(ZnC12H8(N2Br)2)3(CH)4(C5NH4O2)4(C6H5NO2)2 crystallizes in the triclinic P1 space group. The structure consists of eight 02329_fluka molecules, four nitrobenzene molecules, and eight schembl10243472 molecules inside a ZnC12H8(N2Br)2 framework. In the ZnC12H8(N2Br)2 framework, there are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one N(1,2,4); one N(23); one Br(1,2,4); and one Br(5,8) atom. The Zn(1)-N(1,2,4) bond length is 2.06 Å. The Zn(1)-N(23) bond length is 2.06 Å. The Zn(1)-Br(1,2,4) bond length is 2.40 Å. The Zn(1)-Br(5,8) bond length is 2.38 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one N(1,2,4); one N(24); one Br(1,2,4); and one Br(6) atom. The Zn(2)-N(1,2,4) bond length is 2.06 Å. The Zn(2)-N(24) bond length is 2.06 Å. The Zn(2)-Br(1,2,4) bond length is 2.40 Å. The Zn(2)-Br(6) bond length is 2.38 Å. In the third Zn site, Zn(3) is bonded in a tetrahedral geometry to one N(21), one N(3), one Br(3), and one Br(7) atom. The Zn(3)-N(21) bond length is 2.06 Å. The Zn(3)-N(3) bond length is 2.06 Å. The Zn(3)-Br(3) bond length is 2.40 Å. The Zn(3)-Br(7) bond length is 2.38 Å. In the fourth Zn site, Zn(4) is bonded in a tetrahedral geometry to one N(1,2,4); one N(22); one Br(1,2,4); and one Br(5,8) atom. The Zn(4)-N(1,2,4) bond length is 2.06 Å. The Zn(4)-N(22) bond length is 2.06 Å. The Zn(4)-Br(1,2,4) bond length is 2.40 Å. The Zn(4)-Br(5,8) bond length is 2.38 Å. In the fifth Zn site, Zn(5) is bonded in a tetrahedral geometry to one N(17); one N(18,20); and two equivalent Br(9,10,12) atoms. The Zn(5)-N(17) bond length is 2.08 Å. The Zn(5)-N(18,20) bond length is 2.08 Å. Both Zn(5)-Br(9,10,12) bond lengths are 2.37 Å. In the sixth Zn site, Zn(6) is bonded in a tetrahedral geometry to one N(18,20); one N(19); one Br(11); and one Br(9,10,12) atom. The Zn(6)-N(18,20) bond length is 2.08 Å. The Zn(6)-N(19) bond length is 2.08 Å. The Zn(6)-Br(11) bond length is 2.37 Å. The Zn(6)-Br(9,10,12) bond length is 2.37 Å. There are forty-seven inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(5,6,8); one N(1,2,4); and one H(1,2,4) atom. The C(1)-C(5,6,8) bond length is 1.38 Å. The C(1)-N(1,2,4) bond length is 1.35 Å. The C(1)-H(1,2,4) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(5,6,8); one N(1,2,4); and one H(1,2,4) atom. The C(2)-C(5,6,8) bond length is 1.38 Å. The C(2)-N(1,2,4) bond length is 1.35 Å. The C(2)-H(1,2,4) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(7), one N(3), and one H(3) atom. The C(3)-C(7) bond length is 1.38 Å. The C(3)-N(3) bond length is 1.35 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(5,6,8); one N(1,2,4); and one H(1,2,4) atom. The C(4)-C(5,6,8) bond length is 1.38 Å. The C(4)-N(1,2,4) bond length is 1.35 Å. The C(4)-H(1,2,4) bond length is 1.09 Å. In the fifth C site, C(5,6,8) is bonded in a distorted single-bond geometry to one C(1), one C(9), and one H(5) atom. The C(5,6,8)-C(9) bond length is 1.40 Å. The C(5,6,8)-H(5) bond length is 1.09 Å. In the sixth C site, C(7) is bonded in a distorted single-bond geometry to one C(11); one C(3); and one H(6,7) atom. The C(7)-C(11) bond length is 1.40 Å. The C(7)-H(6,7) bond length is 1.09 Å. In the seventh C site, C(9) is bonded in a trigonal planar geometry to one C(13,16); one C(21,23,24); and one C(5,6,8) atom. The C(9)-C(13,16) bond length is 1.40 Å. The C(9)-C(21,23,24) bond length is 1.48 Å. In the eighth C site, C(10) is bonded in a trigonal planar geometry to one C(14); one C(22); and one C(5,6,8) atom. The C(10)-C(14) bond length is 1.40 Å. The C(10)-C(22) bond length is 1.48 Å. The C(10)-C(5,6,8) bond length is 1.40 Å. In the ninth C site, C(11) is bonded in a trigonal planar geometry to one C(15); one C(21,23,24); and one C(7) atom. The C(11)-C(15) bond length is 1.40 Å. The C(11)-C(21,23,24) bond length is 1.48 Å. In the tenth C site, C(12) is bonded in a trigonal planar geometry to one C(13,16); one C(21,23,24); and one C(5,6,8) atom. The C(12)-C(13,16) bond length is 1.40 Å. The C(12)-C(21,23,24) bond length is 1.48 Å. The C(12)-C(5,6,8) bond length is 1.40 Å. In the eleventh C site, C(13,16) is bonded in a distorted trigonal planar geometry to one C(17); one C(9); and one H(9,11) atom. The C(13,16)-C(17) bond length is 1.39 Å. The C(13,16)-H(9,11) bond length is 1.09 Å. In the twelfth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(10); one C(18); and one H(10,12) atom. The C(14)-C(18) bond length is 1.39 Å. The C(14)-H(10,12) bond length is 1.09 Å. In the thirteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(11); one C(19); and one H(9,11) atom. The C(15)-C(19) bond length is 1.39 Å. The C(15)-H(9,11) bond length is 1.09 Å. In the fourteenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(13,16); one N(1,2,4); and one H(13,14,16) atom. The C(17)-N(1,2,4) bond length is 1.35 Å. The C(17)-H(13,14,16) bond length is 1.09 Å. In the fifteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(14); one N(1,2,4); and one H(13,14,16) atom. The C(18)-N(1,2,4) bond length is 1.35 Å. The C(18)-H(13,14,16) bond length is 1.09 Å. In the sixteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(15), one N(3), and one H(15) atom. The C(19)-N(3) bond length is 1.35 Å. The C(19)-H(15) bond length is 1.09 Å. In the seventeenth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(13,16); one N(1,2,4); and one H(13,14,16) atom. The C(20)-C(13,16) bond length is 1.39 Å. The C(20)-N(1,2,4) bond length is 1.35 Å. The C(20)-H(13,14,16) bond length is 1.09 Å. In the eighteenth C site, C(21,23,24) is bonded in a distorted trigonal planar geometry to one C(9); one N(13,14,16); and one N(5,6,8) atom. The C(21,23,24)-N(13,14,16) bond length is 1.34 Å. The C(21,23,24)-N(5,6,8) bond length is 1.34 Å. In the nineteenth C site, C(22) is bonded in a distorted trigonal planar geometry to one C(10); one N(13,14,16); and one N(5,6,8) atom. The C(22)-N(13,14,16) bond length is 1.34 Å. The C(22)-N(5,6,8) bond length is 1.34 Å. In the twentieth C site, C(25,27) is bonded in a distorted bent 120 degrees geometry to one C(61); one N(13,14,16); and one N(9,10,12) atom. The C(25,27)-C(61) bond length is 1.48 Å. The C(25,27)-N(13,14,16) bond length is 1.34 Å. The C(25,27)-N(9,10,12) bond length is 1.34 Å. In the twenty-first C site, C(26,28) is bonded in a distorted bent 120 degrees geometry to one C(62); one N(13,14,16); and one N(9,10,12) atom. The C(26,28)-C(62) bond length is 1.48 Å. The C(26,28)-N(13,14,16) bond length is 1.34 Å. The C(26,28)-N(9,10,12) bond length is 1.34 Å. In the twenty-second C site, C(29,31) is bonded in a distorted bent 120 degrees geometry to one C(41,43,44); one N(5,6,8); and one N(9,10,12) atom. The C(29,31)-C(41,43,44) bond length is 1.48 Å. The C(29,31)-N(5,6,8) bond length is 1.35 Å. The C(29,31)-N(9,10,12) bond length is 1.34 Å. In the twenty-third C site, C(30,32) is bonded in a distorted bent 120 degrees geometry to one C(42); one N(5,6,8); and one N(9,10,12) atom. The C(30,32)-C(42) bond length is 1.48 Å. The C(30,32)-N(5,6,8) bond length is 1.35 Å. The C(30,32)-N(9,10,12) bond length is 1.34 Å. In the twenty-fourth C site, C(33,35,36) is bonded in a distorted trigonal planar geometry to one C(37,39); one N(17); and one H(17,18,19,20) atom. The C(33,35,36)-C(37,39) bond length is 1.39 Å. The C(33,35,36)-N(17) bond length is 1.35 Å. The C(33,35,36)-H(17,18,19,20) bond length is 1.09 Å. In the twenty-fifth C site, C(34) is bonded in a distorted trigonal planar geometry to one C(38,40); one N(18,20); and one H(17,18,19,20) atom. The C(34)-C(38,40) bond length is 1.39 Å. The C(34)-N(18,20) bond length is 1.35 Å. The C(34)-H(17,18,19,20) bond length is 1.09 Å. In the twenty-sixth C site, C(37,39) is bonded in a distorted single-bond geometry to one C(33,35,36); one C(41,43,44); and one H(21,23,24) atom. The C(37,39)-C(41,43,44) bond length is 1.40 Å. The C(37,39)-H(21,23,24) bond length is 1.09 Å. In the twenty-seventh C site, C(38,40) is bonded in a distorted single-bond geometry to one C(34), one C(42), and one H(22) atom. The C(38,40)-C(42) bond length is 1.40 Å. The C(38,40)-H(22) bond length is 1.09 Å. In the twenty-eighth C site, C(41,43,44) is bonded in a trigonal planar geometry to one C(29,31); one C(37,39); and one C(45,47) atom. The C(41,43,44)-C(45,47) bond length is 1.40 Å. In the twenty-ninth C site, C(42) is bonded in a trigonal planar geometry to one C(30,32); one C(38,40); and one C(46,48) atom. The C(42)-C(46,48) bond length is 1.40 Å. In the thirtieth C site, C(45,47) is bonded in a distorted single-bond geometry to one C(41,43,44); one C(49,51); and one H(25,26,27,28) atom. The C(45,47)-C(49,51) bond length is 1.38 Å. The C(45,47)-H(25,26,27,28) bond length is 1.09 Å. In the thirty-first C site, C(46,48) is bonded in a distorted single-bond geometry to one C(42); one C(50); and one H(25,26,27,28) atom. The C(46,48)-C(50) bond length is 1.38 Å. The C(46,48)-H(25,26,27,28) bond length is 1.09 Å. In the thirty-second C site, C(49,51) is bonded in a distorted trigonal planar geometry to one C(45,47); one N(17); and one H(29,31) atom. The C(49,51)-N(17) bond length is 1.35 Å. The C(49,51)-H(29,31) bond length is 1.09 Å. In the thirty-third C site, C(50) is bonded in a distorted trigonal planar geometry to one C(46,48); one N(18,20); and one H(30,32) atom. The C(50)-N(18,20) bond length is 1.35 Å. The C(50)-H(30,32) bond length is 1.09 Å. In the thirty-fourth C site, C(52) is bonded in a distorted trigonal planar geometry to one C(46,48); one N(18,20); and one H(30,32) atom. The C(52)-C(46,48) bond length is 1.38 Å. The C(52)-N(18,20) bond length is 1.35 Å. The C(52)-H(30,32) bond length is 1.09 Å. In the thirty-fifth C site, C(53) is bonded in a distorted trigonal planar geometry to one C(57,59); one N(21); and one H(33,34,35,36) atom. The C(53)-C(57,59) bond length is 1.39 Å. The C(53)-N(21) bond length is 1.35 Å. The C(53)-H(33,34,35,36) bond length is 1.09 Å. In the thirty-sixth C site, C(54) is bonded in a distorted trigonal planar geometry to one C(58,60); one N(22); and one H(33,34,35,36) atom. The C(54)-C(58,60) bond length is 1.39 Å. The C(54)-N(22) bond length is 1.35 Å. The C(54)-H(33,34,35,36) bond length is 1.09 Å. In the thirty-seventh C site, C(55,56) is bonded in a distorted trigonal planar geometry to one C(57,59); one N(23); and one H(33,34,35,36) atom. The C(55,56)-C(57,59) bond length is 1.39 Å. The C(55,56)-N(23) bond length is 1.35 Å. The C(55,56)-H(33,34,35,36) bond length is 1.09 Å. In the thirty-eighth C site, C(57,59) is bonded in a distorted single-bond geometry to one C(53), one C(61), and one H(37) atom. The C(57,59)-C(61) bond length is 1.40 Å. The C(57,59)-H(37) bond length is 1.09 Å. In the thirty-ninth C site, C(58,60) is bonded in a distorted single-bond geometry to one C(54); one C(62); and one H(38,39,40) atom. The C(58,60)-C(62) bond length is 1.40 Å. The C(58,60)-H(38,39,40) bond length is 1.09 Å. In the fortieth C site, C(61) is bonded in a trigonal planar geometry to one C(25,27); one C(57,59); and one C(65,67) atom. The C(61)-C(65,67) bond length is 1.40 Å. In the forty-first C site, C(62) is bonded in a trigonal planar geometry to one C(26,28); one C(58,60); and one C(66,68) atom. The C(62)-C(66,68) bond length is 1.40 Å. In the forty-second C site, C(63,64) is bonded in a trigonal planar geometry to one C(25,27); one C(57,59); and one C(65,67) atom. The C(63,64)-C(25,27) bond length is 1.48 Å. The C(63,64)-C(57,59) bond length is 1.40 Å. The C(63,64)-C(65,67) bond length is 1.40 Å. In the forty-third C site, C(65,67) is bonded in a distorted single-bond geometry to one C(61); one C(69); and one H(41,42) atom. The C(65,67)-C(69) bond length is 1.38 Å. The C(65,67)-H(41,42) bond length is 1.09 Å. In the forty-fourth C site, C(66,68) is bonded in a distorted single-bond geometry to one C(62); one C(70); and one H(41,42) atom. The C(66,68)-C(70) bond length is 1.38 Å. The C(66,68)-H(41,42) bond length is 1.09 Å. In the forty-fifth C site, C(69) is bonded in a distorted trigonal planar geometry to one C(65,67); one N(21); and one H(45,47) atom. The C(69)-N(21) bond length is 1.35 Å. The C(69)-H(45,47) bond length is 1.09 Å. In the forty-sixth C site, C(70) is bonded in a distorted trigonal planar geometry to one C(66,68); one N(22); and one H(46,48) atom. The C(70)-N(22) bond length is 1.35 Å. The C(70)-H(46,48) bond length is 1.09 Å. In the forty-seventh C site, C(71,72) is bonded in a distorted trigonal planar geometry to one C(65,67); one N(23); and one H(45,47) atom. The C(71,72)-C(65,67) bond length is 1.38 Å. The C(71,72)-N(23) bond length is 1.35 Å. The C(71,72)-H(45,47) bond length is 1.09 Å. There are fifteen inequivalent N sites. In the first N site, N(1,2,4) is bonded in a trigonal planar geometry to one Zn(1), one C(1), and one C(17) atom. In the second N site, N(3) is bonded in a trigonal planar geometry to one Zn(3), one C(19), and one C(3) atom. In the third N site, N(5,6,8) is bonded in a bent 120 degrees geometry to one C(21,23,24) and one C(29,31) atom. In the fourth N site, N(7) is bonded in a bent 120 degrees geometry to one C(21,23,24) and one C(29,31) atom. The N(7)-C(21,23,24) bond length is 1.34 Å. The N(7)-C(29,31) bond length is 1.35 Å. In the fifth N site, N(9,10,12) is bonded in a bent 120 degrees geometry to one C(25,27) and one C(29,31) atom. In the sixth N site, N(11) is bonded in a bent 120 degrees geometry to one C(25,27) and one C(29,31) atom. The N(11)-C(25,27) bond length is 1.34 Å. The N(11)-C(29,31) bond length is 1.34 Å. In the seventh N site, N(13,14,16) is bonded in a bent 120 degrees geometry to one C(21,23,24) and one C(25,27) atom. In the eighth N site, N(15) is bonded in a bent 120 degrees geometry to one C(21,23,24) and one C(25,27) atom. The N(15)-C(21,23,24) bond length is 1.34 Å. The N(15)-C(25,27) bond length is 1.34 Å. In the ninth N site, N(17) is bonded in a trigonal planar geometry to one Zn(5); one C(33,35,36); and one C(49,51) atom. In the tenth N site, N(18,20) is bonded in a trigonal planar geometry to one Zn(5), one C(34), and one C(50) atom. In the eleventh N site, N(19) is bonded in a trigonal planar geometry to one Zn(6); one C(33,35,36); and one C(49,51) atom. The N(19)-C(33,35,36) bond length is 1.35 Å. The N(19)-C(49,51) bond length is 1.35 Å. In the twelfth N site, N(21) is bonded in a trigonal planar geometry to one Zn(3), one C(53), and one C(69) atom. In the thirteenth N site, N(22) is bonded in a trigonal planar geometry to one Zn(4), one C(54), and one C(70) atom. In the fourteenth N site, N(23) is bonded in a trigonal planar geometry to one Zn(1); one C(55,56); and one C(71,72) atom. In the fifteenth N site, N(24) is bonded in a trigonal planar geometry to one Zn(2); one C(55,56); and one C(71,72) atom. The N(24)-C(55,56) bond length is 1.35 Å. The N(24)-C(71,72) bond length is 1.35 Å. There are twenty-two inequivalent H sites. In the first H site, H(1,2,4) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(5,6,8) atom. In the fourth H site, H(6,7) is bonded in a single-bond geometry to one C(5,6,8) atom. The H(6,7)-C(5,6,8) bond length is 1.09 Å. In the fifth H site, H(8) is bonded in a single-bond geometry to one C(5,6,8) atom. The H(8)-C(5,6,8) bond length is 1.09 Å. In the sixth H site, H(9,11) is bonded in a single-bond geometry to one C(13,16) atom. In the seventh H site, H(10,12) is bonded in a single-bond geometry to one C(14) atom. In the eighth H site, H(13,14,16) is bonded in a single-bond geometry to one C(17) atom. In the ninth H site, H(15) is bonded in a single-bond geometry to one C(19) atom. In the tenth H site, H(17,18,19,20) is bonded in a single-bond geometry to one C(33,35,36) atom. In the eleventh H site, H(21,23,24) is bonded in a single-bond geometry to one C(37,39) atom. In the twelfth H site, H(22) is bonded in a single-bond geometry to one C(38,40) atom. In the thirteenth H site, H(25,26,27,28) is bonded in a single-bond geometry to one C(45,47) atom. In the fourteenth H site, H(29,31) is bonded in a single-bond geometry to one C(49,51) atom. In the fifteenth H site, H(30,32) is bonded in a single-bond geometry to one C(50) atom. In the sixteenth H site, H(33,34,35,36) is bonded in a single-bond geometry to one C(53) atom. In the seventeenth H site, H(37) is bonded in a single-bond geometry to one C(57,59) atom. In the eighteenth H site, H(38,39,40) is bonded in a single-bond geometry to one C(58,60) atom. In the nineteenth H site, H(41,42) is bonded in a single-bond geometry to one C(65,67) atom. In the twentieth H site, H(43,44) is bonded in a single-bond geometry to one C(65,67) atom. The H(43,44)-C(65,67) bond length is 1.09 Å. In the twenty-first H site, H(45,47) is bonded in a single-bond geometry to one C(69) atom. In the twenty-second H site, H(46,48) is bonded in a single-bond geometry to one C(70) atom. There are seven inequivalent Br sites. In the first Br site, Br(1,2,4) is bonded in a single-bond geometry to one Zn(1) atom. In the second Br site, Br(3) is bonded in a single-bond geometry to one Zn(3) atom. In the third Br site, Br(5,8) is bonded in a single-bond geometry to one Zn(1) atom. In the fourth Br site, Br(6) is bonded in a single-bond geometry to one Zn(2) atom. In the fifth Br site, Br(7) is bonded in a single-bond geometry to one Zn(3) atom. In the sixth Br site, Br(9,10,12) is bonded in a single-bond geometry to one Zn(5) atom. In the seventh Br site, Br(11) is bonded in a single-bond geometry to one Zn(6) atom. Linkers: 4 n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1 ,2 [CH]C(=[CH])C1=[N]=C([N]C(=N1)c1ccncc1)c1ccncc1 ,1 [CH]=[C]C1=[N]=C(N=C([N]1)C1=CC=N[C]=C1)c1ccncc1. Metal clusters: 6 Br[Zn]Br. The MOF has largest included sphere 2.55 A, density 1.75 g/cm3, surface area 4431.81 m2/g, accessible volume 0.17 cm3/g