Cu3C28H12(NO2)6(CH3)4 crystallizes in the monoclinic P2_1/c space group. The structure consists of thirty-two 02329_fluka molecules inside a Cu3C28H12(NO2)6 framework. In the Cu3C28H12(NO2)6 framework, there are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square pyramidal geometry to one N(1), one N(2), one O(3), one O(5), and one O(7) atom. The Cu(1)-N(1) bond length is 1.99 Å. The Cu(1)-N(2) bond length is 2.00 Å. The Cu(1)-O(3) bond length is 1.96 Å. The Cu(1)-O(5) bond length is 1.95 Å. The Cu(1)-O(7) bond length is 2.28 Å. In the second Cu site, Cu(2) is bonded in a square pyramidal geometry to one N(5), one N(6), one O(10), one O(15), and one O(19) atom. The Cu(2)-N(5) bond length is 2.01 Å. The Cu(2)-N(6) bond length is 1.99 Å. The Cu(2)-O(10) bond length is 1.95 Å. The Cu(2)-O(15) bond length is 1.96 Å. The Cu(2)-O(19) bond length is 2.28 Å. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(11), one O(12), one O(17), and one O(18) atom. The Cu(3)-O(11) bond length is 1.89 Å. The Cu(3)-O(12) bond length is 1.89 Å. The Cu(3)-O(17) bond length is 1.91 Å. The Cu(3)-O(18) bond length is 1.89 Å. In the fourth Cu site, Cu(4) is bonded in a rectangular see-saw-like geometry to one N(7), one N(9), one O(13), and one O(8) atom. The Cu(4)-N(7) bond length is 2.00 Å. The Cu(4)-N(9) bond length is 1.98 Å. The Cu(4)-O(13) bond length is 1.97 Å. The Cu(4)-O(8) bond length is 1.99 Å. In the fifth Cu site, Cu(5) is bonded in a rectangular see-saw-like geometry to one N(10), one N(12), one O(20), and one O(22) atom. The Cu(5)-N(10) bond length is 2.01 Å. The Cu(5)-N(12) bond length is 1.98 Å. The Cu(5)-O(20) bond length is 2.00 Å. The Cu(5)-O(22) bond length is 1.97 Å. In the sixth Cu site, Cu(6) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cu(6)-O(1) bond lengths are 1.90 Å. Both Cu(6)-O(2) bond lengths are 1.89 Å. In the seventh Cu site, Cu(7) is bonded in a square co-planar geometry to two equivalent O(23) and two equivalent O(24) atoms. Both Cu(7)-O(23) bond lengths are 1.90 Å. Both Cu(7)-O(24) bond lengths are 1.89 Å. There are fifty-six inequivalent C sites. In the first C site, C(2) is bonded in a distorted single-bond geometry to one C(3) and one O(2) atom. The C(2)-C(3) bond length is 1.42 Å. The C(2)-O(2) bond length is 1.28 Å. In the second C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(6) atom. The C(3)-C(4) bond length is 1.41 Å. The C(3)-C(6) bond length is 1.51 Å. In the third C site, C(4) is bonded in a distorted single-bond geometry to one C(3) and one O(1) atom. The C(4)-O(1) bond length is 1.29 Å. In the fourth C site, C(6) is bonded in a trigonal planar geometry to one C(3), one C(7), and one C(8) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-C(8) bond length is 1.38 Å. In the fifth C site, C(7) is bonded in a distorted single-bond geometry to one C(10), one C(6), and one H(7) atom. The C(7)-C(10) bond length is 1.37 Å. The C(7)-H(7) bond length is 0.94 Å. In the sixth C site, C(8) is bonded in a distorted single-bond geometry to one C(6), one C(9), and one H(8) atom. The C(8)-C(9) bond length is 1.39 Å. The C(8)-H(8) bond length is 0.94 Å. In the seventh C site, C(9) is bonded in a distorted trigonal planar geometry to one C(8), one N(1), and one H(9) atom. The C(9)-N(1) bond length is 1.35 Å. The C(9)-H(9) bond length is 0.94 Å. In the eighth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(7), one N(1), and one H(10) atom. The C(10)-N(1) bond length is 1.33 Å. The C(10)-H(10) bond length is 0.94 Å. In the ninth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(3), and one O(4) atom. The C(11)-C(12) bond length is 1.51 Å. The C(11)-O(3) bond length is 1.27 Å. The C(11)-O(4) bond length is 1.23 Å. In the tenth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one C(15), and one N(2) atom. The C(12)-C(15) bond length is 1.40 Å. The C(12)-N(2) bond length is 1.34 Å. In the eleventh C site, C(13) is bonded in a distorted trigonal planar geometry to one C(14), one N(2), and one H(11) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-N(2) bond length is 1.33 Å. The C(13)-H(11) bond length is 0.94 Å. In the twelfth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(13), one N(3), and one H(12) atom. The C(14)-N(3) bond length is 1.32 Å. The C(14)-H(12) bond length is 0.94 Å. In the thirteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(12), one C(16), and one N(3) atom. The C(15)-C(16) bond length is 1.50 Å. The C(15)-N(3) bond length is 1.34 Å. In the fourteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(15), one O(5), and one O(6) atom. The C(16)-O(5) bond length is 1.26 Å. The C(16)-O(6) bond length is 1.23 Å. In the fifteenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(18), one O(7), and one O(8) atom. The C(17)-C(18) bond length is 1.50 Å. The C(17)-O(7) bond length is 1.23 Å. The C(17)-O(8) bond length is 1.27 Å. In the sixteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(17), one C(19), and one N(4) atom. The C(18)-C(19) bond length is 1.39 Å. The C(18)-N(4) bond length is 1.35 Å. In the seventeenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(18), one C(22), and one N(5) atom. The C(19)-C(22) bond length is 1.51 Å. The C(19)-N(5) bond length is 1.33 Å. In the eighteenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(21), one N(4), and one H(13) atom. The C(20)-C(21) bond length is 1.39 Å. The C(20)-N(4) bond length is 1.32 Å. The C(20)-H(13) bond length is 0.94 Å. In the nineteenth C site, C(21) is bonded in a distorted trigonal planar geometry to one C(20), one N(5), and one H(14) atom. The C(21)-N(5) bond length is 1.33 Å. The C(21)-H(14) bond length is 0.94 Å. In the twentieth C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(19), one O(10), and one O(9) atom. The C(22)-O(10) bond length is 1.27 Å. The C(22)-O(9) bond length is 1.23 Å. In the twenty-first C site, C(23) is bonded in a distorted trigonal planar geometry to one C(26), one N(6), and one H(15) atom. The C(23)-C(26) bond length is 1.37 Å. The C(23)-N(6) bond length is 1.33 Å. The C(23)-H(15) bond length is 0.94 Å. In the twenty-second C site, C(24) is bonded in a distorted trigonal planar geometry to one C(25), one N(6), and one H(16) atom. The C(24)-C(25) bond length is 1.39 Å. The C(24)-N(6) bond length is 1.35 Å. The C(24)-H(16) bond length is 0.94 Å. In the twenty-third C site, C(25) is bonded in a distorted single-bond geometry to one C(24), one C(27), and one H(17) atom. The C(25)-C(27) bond length is 1.39 Å. The C(25)-H(17) bond length is 0.94 Å. In the twenty-fourth C site, C(26) is bonded in a distorted single-bond geometry to one C(23), one C(27), and one H(18) atom. The C(26)-C(27) bond length is 1.39 Å. The C(26)-H(18) bond length is 0.94 Å. In the twenty-fifth C site, C(27) is bonded in a trigonal planar geometry to one C(25), one C(26), and one C(30) atom. The C(27)-C(30) bond length is 1.50 Å. In the twenty-sixth C site, C(29) is bonded in a distorted single-bond geometry to one C(30) and one O(12) atom. The C(29)-C(30) bond length is 1.42 Å. The C(29)-O(12) bond length is 1.28 Å. In the twenty-seventh C site, C(30) is bonded in a trigonal planar geometry to one C(27), one C(29), and one C(31) atom. The C(30)-C(31) bond length is 1.41 Å. In the twenty-eighth C site, C(31) is bonded in a distorted single-bond geometry to one C(30) and one O(11) atom. The C(31)-O(11) bond length is 1.29 Å. In the twenty-ninth C site, C(33) is bonded in a distorted bent 120 degrees geometry to one C(34), one O(13), and one O(14) atom. The C(33)-C(34) bond length is 1.51 Å. The C(33)-O(13) bond length is 1.27 Å. The C(33)-O(14) bond length is 1.23 Å. In the thirtieth C site, C(34) is bonded in a distorted trigonal planar geometry to one C(33), one C(37), and one N(7) atom. The C(34)-C(37) bond length is 1.39 Å. The C(34)-N(7) bond length is 1.33 Å. In the thirty-first C site, C(35) is bonded in a distorted bent 120 degrees geometry to one N(7) and one H(25) atom. The C(35)-N(7) bond length is 1.33 Å. The C(35)-H(25) bond length is 0.94 Å. In the thirty-second C site, C(36) is bonded in a distorted bent 120 degrees geometry to one N(8) and one H(26) atom. The C(36)-N(8) bond length is 1.32 Å. The C(36)-H(26) bond length is 0.94 Å. In the thirty-third C site, C(37) is bonded in a distorted trigonal planar geometry to one C(34), one C(38), and one N(8) atom. The C(37)-C(38) bond length is 1.51 Å. The C(37)-N(8) bond length is 1.36 Å. In the thirty-fourth C site, C(38) is bonded in a distorted bent 120 degrees geometry to one C(37), one O(15), and one O(16) atom. The C(38)-O(15) bond length is 1.25 Å. The C(38)-O(16) bond length is 1.24 Å. In the thirty-fifth C site, C(39) is bonded in a distorted trigonal planar geometry to one C(41), one N(9), and one H(27) atom. The C(39)-C(41) bond length is 1.39 Å. The C(39)-N(9) bond length is 1.34 Å. The C(39)-H(27) bond length is 0.94 Å. In the thirty-sixth C site, C(40) is bonded in a distorted trigonal planar geometry to one C(42), one N(9), and one H(28) atom. The C(40)-C(42) bond length is 1.40 Å. The C(40)-N(9) bond length is 1.32 Å. The C(40)-H(28) bond length is 0.94 Å. In the thirty-seventh C site, C(41) is bonded in a distorted single-bond geometry to one C(39), one C(43), and one H(29) atom. The C(41)-C(43) bond length is 1.38 Å. The C(41)-H(29) bond length is 0.94 Å. In the thirty-eighth C site, C(42) is bonded in a distorted single-bond geometry to one C(40), one C(43), and one H(30) atom. The C(42)-C(43) bond length is 1.36 Å. The C(42)-H(30) bond length is 0.94 Å. In the thirty-ninth C site, C(43) is bonded in a trigonal planar geometry to one C(41), one C(42), and one C(46) atom. The C(43)-C(46) bond length is 1.50 Å. In the fortieth C site, C(45) is bonded in a distorted single-bond geometry to one C(46) and one O(17) atom. The C(45)-C(46) bond length is 1.41 Å. The C(45)-O(17) bond length is 1.29 Å. In the forty-first C site, C(46) is bonded in a trigonal planar geometry to one C(43), one C(45), and one C(47) atom. The C(46)-C(47) bond length is 1.41 Å. In the forty-second C site, C(47) is bonded in a distorted single-bond geometry to one C(46) and one O(18) atom. The C(47)-O(18) bond length is 1.29 Å. In the forty-third C site, C(49) is bonded in a distorted bent 120 degrees geometry to one C(52), one O(19), and one O(20) atom. The C(49)-C(52) bond length is 1.51 Å. The C(49)-O(19) bond length is 1.22 Å. The C(49)-O(20) bond length is 1.26 Å. In the forty-fourth C site, C(50) is bonded in a distorted bent 120 degrees geometry to one C(51), one O(21), and one O(22) atom. The C(50)-C(51) bond length is 1.51 Å. The C(50)-O(21) bond length is 1.23 Å. The C(50)-O(22) bond length is 1.27 Å. In the forty-fifth C site, C(51) is bonded in a distorted trigonal planar geometry to one C(50), one C(52), and one N(10) atom. The C(51)-C(52) bond length is 1.40 Å. The C(51)-N(10) bond length is 1.33 Å. In the forty-sixth C site, C(52) is bonded in a distorted trigonal planar geometry to one C(49), one C(51), and one N(11) atom. The C(52)-N(11) bond length is 1.36 Å. In the forty-seventh C site, C(53) is bonded in a distorted bent 120 degrees geometry to one N(10) and one H(37) atom. The C(53)-N(10) bond length is 1.33 Å. The C(53)-H(37) bond length is 0.94 Å. In the forty-eighth C site, C(54) is bonded in a distorted bent 120 degrees geometry to one N(11) and one H(38) atom. The C(54)-N(11) bond length is 1.33 Å. The C(54)-H(38) bond length is 0.94 Å. In the forty-ninth C site, C(55) is bonded in a distorted trigonal planar geometry to one C(56), one N(12), and one H(39) atom. The C(55)-C(56) bond length is 1.39 Å. The C(55)-N(12) bond length is 1.32 Å. The C(55)-H(39) bond length is 0.94 Å. In the fiftieth C site, C(56) is bonded in a distorted single-bond geometry to one C(55), one C(59), and one H(40) atom. The C(56)-C(59) bond length is 1.39 Å. The C(56)-H(40) bond length is 0.94 Å. In the fifty-first C site, C(57) is bonded in a distorted trigonal planar geometry to one C(58), one N(12), and one H(41) atom. The C(57)-C(58) bond length is 1.39 Å. The C(57)-N(12) bond length is 1.33 Å. The C(57)-H(41) bond length is 0.94 Å. In the fifty-second C site, C(58) is bonded in a distorted single-bond geometry to one C(57), one C(59), and one H(42) atom. The C(58)-C(59) bond length is 1.36 Å. The C(58)-H(42) bond length is 0.94 Å. In the fifty-third C site, C(59) is bonded in a trigonal planar geometry to one C(56), one C(58), and one C(62) atom. The C(59)-C(62) bond length is 1.50 Å. In the fifty-fourth C site, C(61) is bonded in a distorted single-bond geometry to one C(62) and one O(23) atom. The C(61)-C(62) bond length is 1.42 Å. The C(61)-O(23) bond length is 1.28 Å. In the fifty-fifth C site, C(62) is bonded in a trigonal planar geometry to one C(59), one C(61), and one C(63) atom. The C(62)-C(63) bond length is 1.41 Å. In the fifty-sixth C site, C(63) is bonded in a distorted single-bond geometry to one C(62) and one O(24) atom. The C(63)-O(24) bond length is 1.29 Å. There are twelve inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(10), and one C(9) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(12), and one C(13) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one C(14) and one C(15) atom. In the fourth N site, N(4) is bonded in a bent 120 degrees geometry to one C(18) and one C(20) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cu(2), one C(19), and one C(21) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cu(2), one C(23), and one C(24) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Cu(4), one C(34), and one C(35) atom. In the eighth N site, N(8) is bonded in a bent 120 degrees geometry to one C(36) and one C(37) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Cu(4), one C(39), and one C(40) atom. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one Cu(5), one C(51), and one C(53) atom. In the eleventh N site, N(11) is bonded in a bent 120 degrees geometry to one C(52) and one C(54) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one Cu(5), one C(55), and one C(57) atom. There are twenty-four inequivalent H sites. In the first H site, H(7) is bonded in a single-bond geometry to one C(7) atom. In the second H site, H(8) is bonded in a single-bond geometry to one C(8) atom. In the third H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the fourth H site, H(10) is bonded in a single-bond geometry to one C(10) atom. In the fifth H site, H(11) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(12) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(13) is bonded in a single-bond geometry to one C(20) atom. In the eighth H site, H(14) is bonded in a single-bond geometry to one C(21) atom. In the ninth H site, H(15) is bonded in a single-bond geometry to one C(23) atom. In the tenth H site, H(16) is bonded in a single-bond geometry to one C(24) atom. In the eleventh H site, H(17) is bonded in a single-bond geometry to one C(25) atom. In the twelfth H site, H(18) is bonded in a single-bond geometry to one C(26) atom. In the thirteenth H site, H(25) is bonded in a single-bond geometry to one C(35) atom. In the fourteenth H site, H(26) is bonded in a single-bond geometry to one C(36) atom. In the fifteenth H site, H(27) is bonded in a single-bond geometry to one C(39) atom. In the sixteenth H site, H(28) is bonded in a single-bond geometry to one C(40) atom. In the seventeenth H site, H(29) is bonded in a single-bond geometry to one C(41) atom. In the eighteenth H site, H(30) is bonded in a single-bond geometry to one C(42) atom. In the nineteenth H site, H(37) is bonded in a single-bond geometry to one C(53) atom. In the twentieth H site, H(38) is bonded in a single-bond geometry to one C(54) atom. In the twenty-first H site, H(39) is bonded in a single-bond geometry to one C(55) atom. In the twenty-second H site, H(40) is bonded in a single-bond geometry to one C(56) atom. In the twenty-third H site, H(41) is bonded in a single-bond geometry to one C(57) atom. In the twenty-fourth H site, H(42) is bonded in a single-bond geometry to one C(58) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(6) and one C(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(6) and one C(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(11) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(11) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(16) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one C(16) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one C(17) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Cu(4) and one C(17) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one C(22) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(22) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(31) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(29) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(33) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one C(33) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(38) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one C(38) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(45) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(47) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one C(49) atom. In the twentieth O site, O(20) is bonded in a water-like geometry to one Cu(5) and one C(49) atom. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one C(50) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one Cu(5) and one C(50) atom. In the twenty-third O site, O(23) is bonded in a bent 120 degrees geometry to one Cu(7) and one C(61) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one Cu(7) and one C(63) atom. Linkers: 4 C[C]([O])/C(=C(/C)[O])c1ccncc1 ,10 CC(=O)/C(=C(/C)[O])c1ccncc1 ,16 [O]C(=O)c1nccnc1C([O])=O ,1 C[C]1O[Cu]2(O[C](C)C(c3ccncc3)=C(C)O2)OC(C)=C1c1ccncc1. Metal clusters: 23 [Cu]. The MOF has largest included sphere 4.84 A, density 1.41 g/cm3, surface area 4164.56 m2/g, accessible volume 0.28 cm3/g