Cu17C96H48(N18Br)2(C3NH4)24 crystallizes in the monoclinic C2/c space group. The structure consists of ninety-six 1-methylethenylamine molecules inside a Cu17C96H48(N18Br)2 framework. In the Cu17C96H48(N18Br)2 framework, there are nine inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a trigonal planar geometry to one N(1), one N(15), and one N(9) atom. The Cu(1)-N(1) bond length is 1.97 Å. The Cu(1)-N(15) bond length is 1.94 Å. The Cu(1)-N(9) bond length is 1.95 Å. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one N(19), one N(24), and one Br(1) atom. The Cu(2)-N(19) bond length is 1.91 Å. The Cu(2)-N(24) bond length is 1.92 Å. The Cu(2)-Br(1) bond length is 2.62 Å. In the third Cu site, Cu(3) is bonded in a linear geometry to one N(11) and one N(21) atom. The Cu(3)-N(11) bond length is 1.86 Å. The Cu(3)-N(21) bond length is 1.86 Å. In the fourth Cu site, Cu(4) is bonded in a 3-coordinate geometry to one N(20), one N(7), and one Br(1) atom. The Cu(4)-N(20) bond length is 1.90 Å. The Cu(4)-N(7) bond length is 1.92 Å. The Cu(4)-Br(1) bond length is 2.62 Å. In the fifth Cu site, Cu(5) is bonded in a distorted T-shaped geometry to one N(2), one N(26), and one Br(1) atom. The Cu(5)-N(2) bond length is 1.89 Å. The Cu(5)-N(26) bond length is 1.90 Å. The Cu(5)-Br(1) bond length is 2.73 Å. In the sixth Cu site, Cu(6) is bonded in a linear geometry to one N(17) and one N(6) atom. The Cu(6)-N(17) bond length is 1.87 Å. The Cu(6)-N(6) bond length is 1.87 Å. In the seventh Cu site, Cu(7) is bonded in a 3-coordinate geometry to one N(25), one N(5), and one Br(1) atom. The Cu(7)-N(25) bond length is 1.91 Å. The Cu(7)-N(5) bond length is 1.90 Å. The Cu(7)-Br(1) bond length is 2.78 Å. In the eighth Cu site, Cu(8) is bonded in a linear geometry to one N(14) and one N(3) atom. The Cu(8)-N(14) bond length is 1.87 Å. The Cu(8)-N(3) bond length is 1.86 Å. In the ninth Cu site, Cu(9) is bonded in a linear geometry to two equivalent N(10) atoms. Both Cu(9)-N(10) bond lengths are 1.88 Å. There are forty-eight inequivalent C sites. In the first C site, C(3) is bonded in a distorted single-bond geometry to one C(4) and one H(24,66) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(24,66) bond length is 0.93 Å. In the second C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(7) atom. The C(4)-C(5) bond length is 1.38 Å. The C(4)-C(7) bond length is 1.48 Å. In the third C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one H(25) atom. The C(5)-H(25) bond length is 0.93 Å. In the fourth C site, C(7) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one N(2) atom. The C(7)-N(1) bond length is 1.33 Å. The C(7)-N(2) bond length is 1.35 Å. In the fifth C site, C(11) is bonded in a distorted single-bond geometry to one C(12) and one H(29) atom. The C(11)-C(12) bond length is 1.38 Å. The C(11)-H(29) bond length is 0.93 Å. In the sixth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(14) atom. The C(12)-C(13) bond length is 1.36 Å. The C(12)-C(14) bond length is 1.46 Å. In the seventh C site, C(13) is bonded in a distorted single-bond geometry to one C(12) and one H(30) atom. The C(13)-H(30) bond length is 0.93 Å. In the eighth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(12), one N(2), and one N(3) atom. The C(14)-N(2) bond length is 1.36 Å. The C(14)-N(3) bond length is 1.33 Å. In the ninth C site, C(17) is bonded in a distorted single-bond geometry to one C(18) and one H(32) atom. The C(17)-C(18) bond length is 1.38 Å. The C(17)-H(32) bond length is 0.93 Å. In the tenth C site, C(18) is bonded in a trigonal planar geometry to one C(17), one C(19), and one C(21) atom. The C(18)-C(19) bond length is 1.39 Å. The C(18)-C(21) bond length is 1.47 Å. In the eleventh C site, C(19) is bonded in a distorted single-bond geometry to one C(18) and one H(33) atom. The C(19)-H(33) bond length is 0.93 Å. In the twelfth C site, C(21) is bonded in a distorted trigonal planar geometry to one C(18), one N(6), and one N(7) atom. The C(21)-N(6) bond length is 1.36 Å. The C(21)-N(7) bond length is 1.33 Å. In the thirteenth C site, C(25) is bonded in a distorted single-bond geometry to one C(26) and one H(37) atom. The C(25)-C(26) bond length is 1.38 Å. The C(25)-H(37) bond length is 0.93 Å. In the fourteenth C site, C(26) is bonded in a trigonal planar geometry to one C(25), one C(27), and one C(28) atom. The C(26)-C(27) bond length is 1.39 Å. The C(26)-C(28) bond length is 1.47 Å. In the fifteenth C site, C(27) is bonded in a distorted single-bond geometry to one C(26) and one H(38) atom. The C(27)-H(38) bond length is 0.93 Å. In the sixteenth C site, C(28) is bonded in a distorted trigonal planar geometry to one C(26), one N(5), and one N(6) atom. The C(28)-N(5) bond length is 1.33 Å. The C(28)-N(6) bond length is 1.36 Å. In the seventeenth C site, C(31) is bonded in a distorted single-bond geometry to one C(32) and one H(40) atom. The C(31)-C(32) bond length is 1.38 Å. The C(31)-H(40) bond length is 0.93 Å. In the eighteenth C site, C(32) is bonded in a trigonal planar geometry to one C(31), one C(33), and one C(35) atom. The C(32)-C(33) bond length is 1.38 Å. The C(32)-C(35) bond length is 1.48 Å. In the nineteenth C site, C(33) is bonded in a distorted single-bond geometry to one C(32) and one H(41) atom. The C(33)-H(41) bond length is 0.93 Å. In the twentieth C site, C(35) is bonded in a distorted trigonal planar geometry to one C(32), one N(11), and one N(9) atom. The C(35)-N(11) bond length is 1.37 Å. The C(35)-N(9) bond length is 1.32 Å. In the twenty-first C site, C(37) is bonded in a distorted single-bond geometry to one C(38) and one H(44) atom. The C(37)-C(38) bond length is 1.39 Å. The C(37)-H(44) bond length is 0.93 Å. In the twenty-second C site, C(38) is bonded in a trigonal planar geometry to one C(37), one C(39), and one C(42) atom. The C(38)-C(39) bond length is 1.39 Å. The C(38)-C(42) bond length is 1.47 Å. In the twenty-third C site, C(39) is bonded in a distorted single-bond geometry to one C(38) and one H(45) atom. The C(39)-H(45) bond length is 0.93 Å. In the twenty-fourth C site, C(42) is bonded in a distorted trigonal planar geometry to one C(38), one N(10), and one N(11) atom. The C(42)-N(10) bond length is 1.32 Å. The C(42)-N(11) bond length is 1.36 Å. In the twenty-fifth C site, C(46) is bonded in a distorted single-bond geometry to one C(47) and one H(49,50) atom. The C(46)-C(47) bond length is 1.39 Å. The C(46)-H(49,50) bond length is 0.93 Å. In the twenty-sixth C site, C(47) is bonded in a trigonal planar geometry to one C(46), one C(48), and one C(49) atom. The C(47)-C(48) bond length is 1.38 Å. The C(47)-C(49) bond length is 1.47 Å. In the twenty-seventh C site, C(48) is bonded in a distorted single-bond geometry to one C(47) and one H(49,50) atom. The C(48)-H(49,50) bond length is 0.93 Å. In the twenty-eighth C site, C(49) is bonded in a distorted trigonal planar geometry to one C(47), one N(14), and one N(17) atom. The C(49)-N(14) bond length is 1.32 Å. The C(49)-N(17) bond length is 1.36 Å. In the twenty-ninth C site, C(53) is bonded in a distorted single-bond geometry to one C(54) and one H(53) atom. The C(53)-C(54) bond length is 1.40 Å. The C(53)-H(53) bond length is 0.93 Å. In the thirtieth C site, C(54) is bonded in a trigonal planar geometry to one C(53), one C(55), and one C(56) atom. The C(54)-C(55) bond length is 1.38 Å. The C(54)-C(56) bond length is 1.46 Å. In the thirty-first C site, C(55) is bonded in a distorted single-bond geometry to one C(54) and one H(54) atom. The C(55)-H(54) bond length is 0.93 Å. In the thirty-second C site, C(56) is bonded in a distorted trigonal planar geometry to one C(54), one N(15), and one N(17) atom. The C(56)-N(15) bond length is 1.32 Å. The C(56)-N(17) bond length is 1.36 Å. In the thirty-third C site, C(59) is bonded in a distorted single-bond geometry to one C(60) and one H(56) atom. The C(59)-C(60) bond length is 1.40 Å. The C(59)-H(56) bond length is 0.93 Å. In the thirty-fourth C site, C(60) is bonded in a trigonal planar geometry to one C(59), one C(61), and one C(63) atom. The C(60)-C(61) bond length is 1.39 Å. The C(60)-C(63) bond length is 1.46 Å. In the thirty-fifth C site, C(61) is bonded in a distorted single-bond geometry to one C(60) and one H(57) atom. The C(61)-H(57) bond length is 0.93 Å. In the thirty-sixth C site, C(63) is bonded in a distorted trigonal planar geometry to one C(60), one N(19), and one N(21) atom. The C(63)-N(19) bond length is 1.33 Å. The C(63)-N(21) bond length is 1.37 Å. In the thirty-seventh C site, C(66) is bonded in a distorted single-bond geometry to one C(67) and one H(60,61) atom. The C(66)-C(67) bond length is 1.39 Å. The C(66)-H(60,61) bond length is 0.93 Å. In the thirty-eighth C site, C(67) is bonded in a trigonal planar geometry to one C(66), one C(68), and one C(70) atom. The C(67)-C(68) bond length is 1.40 Å. The C(67)-C(70) bond length is 1.47 Å. In the thirty-ninth C site, C(68) is bonded in a distorted single-bond geometry to one C(67) and one H(60,61) atom. The C(68)-H(60,61) bond length is 0.93 Å. In the fortieth C site, C(70) is bonded in a distorted trigonal planar geometry to one C(67), one N(20), and one N(21) atom. The C(70)-N(20) bond length is 1.33 Å. The C(70)-N(21) bond length is 1.36 Å. In the forty-first C site, C(74) is bonded in a distorted single-bond geometry to one C(75) and one H(65) atom. The C(74)-C(75) bond length is 1.40 Å. The C(74)-H(65) bond length is 0.93 Å. In the forty-second C site, C(75) is bonded in a trigonal planar geometry to one C(74), one C(76), and one C(77) atom. The C(75)-C(76) bond length is 1.38 Å. The C(75)-C(77) bond length is 1.46 Å. In the forty-third C site, C(76) is bonded in a distorted single-bond geometry to one C(75) and one H(24,66) atom. The C(76)-H(24,66) bond length is 0.93 Å. In the forty-fourth C site, C(77) is bonded in a distorted trigonal planar geometry to one C(75), one N(24), and one N(25) atom. The C(77)-N(24) bond length is 1.33 Å. The C(77)-N(25) bond length is 1.36 Å. In the forty-fifth C site, C(80) is bonded in a distorted single-bond geometry to one C(81) and one H(68) atom. The C(80)-C(81) bond length is 1.39 Å. The C(80)-H(68) bond length is 0.93 Å. In the forty-sixth C site, C(81) is bonded in a trigonal planar geometry to one C(80), one C(82), and one C(84) atom. The C(81)-C(82) bond length is 1.39 Å. The C(81)-C(84) bond length is 1.46 Å. In the forty-seventh C site, C(82) is bonded in a distorted single-bond geometry to one C(81) and one H(69) atom. The C(82)-H(69) bond length is 0.93 Å. In the forty-eighth C site, C(84) is bonded in a distorted trigonal planar geometry to one C(81), one N(25), and one N(26) atom. The C(84)-N(25) bond length is 1.36 Å. The C(84)-N(26) bond length is 1.33 Å. There are eighteen inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Cu(1), one C(7), and one N(3) atom. The N(1)-N(3) bond length is 1.38 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(5), one C(14), and one C(7) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Cu(8), one C(14), and one N(1) atom. In the fourth N site, N(5) is bonded in a 3-coordinate geometry to one Cu(7), one C(28), and one N(7) atom. The N(5)-N(7) bond length is 1.39 Å. In the fifth N site, N(6) is bonded in a trigonal planar geometry to one Cu(6), one C(21), and one C(28) atom. In the sixth N site, N(7) is bonded in a 3-coordinate geometry to one Cu(4), one C(21), and one N(5) atom. In the seventh N site, N(9) is bonded in a 3-coordinate geometry to one Cu(1), one C(35), and one N(10) atom. The N(9)-N(10) bond length is 1.39 Å. In the eighth N site, N(10) is bonded in a 3-coordinate geometry to one Cu(9), one C(42), and one N(9) atom. In the ninth N site, N(11) is bonded in a trigonal planar geometry to one Cu(3), one C(35), and one C(42) atom. In the tenth N site, N(14) is bonded in a 3-coordinate geometry to one Cu(8), one C(49), and one N(15) atom. The N(14)-N(15) bond length is 1.38 Å. In the eleventh N site, N(15) is bonded in a 3-coordinate geometry to one Cu(1), one C(56), and one N(14) atom. In the twelfth N site, N(17) is bonded in a trigonal planar geometry to one Cu(6), one C(49), and one C(56) atom. In the thirteenth N site, N(19) is bonded in a 3-coordinate geometry to one Cu(2), one C(63), and one N(20) atom. The N(19)-N(20) bond length is 1.39 Å. In the fourteenth N site, N(20) is bonded in a 3-coordinate geometry to one Cu(4), one C(70), and one N(19) atom. In the fifteenth N site, N(21) is bonded in a trigonal planar geometry to one Cu(3), one C(63), and one C(70) atom. In the sixteenth N site, N(24) is bonded in a 3-coordinate geometry to one Cu(2), one C(77), and one N(26) atom. The N(24)-N(26) bond length is 1.38 Å. In the seventeenth N site, N(25) is bonded in a trigonal planar geometry to one Cu(7), one C(77), and one C(84) atom. In the eighteenth N site, N(26) is bonded in a 3-coordinate geometry to one Cu(5), one C(84), and one N(24) atom. There are twenty-one inequivalent H sites. In the first H site, H(24,66) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(25) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(29) is bonded in a single-bond geometry to one C(11) atom. In the fourth H site, H(30) is bonded in a single-bond geometry to one C(13) atom. In the fifth H site, H(32) is bonded in a single-bond geometry to one C(17) atom. In the sixth H site, H(33) is bonded in a single-bond geometry to one C(19) atom. In the seventh H site, H(37) is bonded in a single-bond geometry to one C(25) atom. In the eighth H site, H(38) is bonded in a single-bond geometry to one C(27) atom. In the ninth H site, H(40) is bonded in a single-bond geometry to one C(31) atom. In the tenth H site, H(41) is bonded in a single-bond geometry to one C(33) atom. In the eleventh H site, H(44) is bonded in a single-bond geometry to one C(37) atom. In the twelfth H site, H(45) is bonded in a single-bond geometry to one C(39) atom. In the thirteenth H site, H(49,50) is bonded in a single-bond geometry to one C(46) atom. In the fourteenth H site, H(53) is bonded in a single-bond geometry to one C(53) atom. In the fifteenth H site, H(54) is bonded in a single-bond geometry to one C(55) atom. In the sixteenth H site, H(56) is bonded in a single-bond geometry to one C(59) atom. In the seventeenth H site, H(57) is bonded in a single-bond geometry to one C(61) atom. In the eighteenth H site, H(60,61) is bonded in a single-bond geometry to one C(66) atom. In the nineteenth H site, H(65) is bonded in a single-bond geometry to one C(74) atom. In the twentieth H site, H(68) is bonded in a single-bond geometry to one C(80) atom. In the twenty-first H site, H(69) is bonded in a single-bond geometry to one C(82) atom. Br(1) is bonded in a distorted trigonal pyramidal geometry to one Cu(2), one Cu(4), one Cu(5), and one Cu(7) atom. Linkers: 26 Nc1ccc(C2=NC(c3ccc(N)cc3)=N[N]2)cc1 ,21 Nc1ccc(C2=NN=C(c3ccc(N)cc3)[N]2)cc1 ,1 Nc1ccc(cc1)C1=[N]=C(N=N1)c1ccc(cc1)N. Metal clusters: 4 [N]1[N][Cu]2/N=N\[Cu][N][N][Cu](/N=N\[Cu]1)/N=N\[Cu]/N=N\2 ,8 [Cu][N][N][Cu](Br)/N=N\[Cu]/N=N\[Cu] ,16 [Cu]. The MOF has largest included sphere 5.87 A, density 1.56 g/cm3, surface area 4339.31 m2/g, accessible volume 0.28 cm3/g