Zn3C27H27(N3O5)2(CH3)2CO2 crystallizes in the triclinic P1 space group. The structure consists of four 02329_fluka molecules and two carbon dioxide molecules inside a Zn3C27H27(N3O5)2 framework. In the Zn3C27H27(N3O5)2 framework, there are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted trigonal bipyramidal geometry to one N(1), one N(12), one O(1), one O(10), and one O(13) atom. The Zn(1)-N(1) bond length is 1.96 Å. The Zn(1)-N(12) bond length is 2.06 Å. The Zn(1)-O(1) bond length is 2.48 Å. The Zn(1)-O(10) bond length is 2.14 Å. The Zn(1)-O(13) bond length is 1.97 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one N(2), one N(7), one O(11), and one O(14) atom. The Zn(2)-N(2) bond length is 2.04 Å. The Zn(2)-N(7) bond length is 2.06 Å. The Zn(2)-O(11) bond length is 2.00 Å. The Zn(2)-O(14) bond length is 1.96 Å. In the third Zn site, Zn(3) is bonded in a distorted tetrahedral geometry to one N(3), one N(8), one O(12), and one O(15) atom. The Zn(3)-N(3) bond length is 2.04 Å. The Zn(3)-N(8) bond length is 2.08 Å. The Zn(3)-O(12) bond length is 2.00 Å. The Zn(3)-O(15) bond length is 1.96 Å. In the fourth Zn site, Zn(4) is bonded in a distorted trigonal pyramidal geometry to one N(4), one N(9), one O(16), and one O(7) atom. The Zn(4)-N(4) bond length is 1.96 Å. The Zn(4)-N(9) bond length is 2.09 Å. The Zn(4)-O(16) bond length is 1.95 Å. The Zn(4)-O(7) bond length is 2.07 Å. In the fifth Zn site, Zn(5) is bonded in a distorted trigonal pyramidal geometry to one N(10), one N(5), one O(17), and one O(5) atom. The Zn(5)-N(10) bond length is 2.03 Å. The Zn(5)-N(5) bond length is 1.96 Å. The Zn(5)-O(17) bond length is 1.95 Å. The Zn(5)-O(5) bond length is 2.11 Å. In the sixth Zn site, Zn(6) is bonded in a tetrahedral geometry to one N(11), one N(6), one O(18), and one O(6) atom. The Zn(6)-N(11) bond length is 2.02 Å. The Zn(6)-N(6) bond length is 1.96 Å. The Zn(6)-O(18) bond length is 1.96 Å. The Zn(6)-O(6) bond length is 2.09 Å. There are fifty-four inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one N(7) and one H(1) atom. The C(1)-N(7) bond length is 1.36 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(38), one N(8), and one H(2) atom. The C(2)-C(38) bond length is 1.38 Å. The C(2)-N(8) bond length is 1.35 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(39), one N(9), and one H(3) atom. The C(3)-C(39) bond length is 1.39 Å. The C(3)-N(9) 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 bent 120 degrees geometry to one N(10) and one H(4) atom. The C(4)-N(10) bond length is 1.35 Å. The C(4)-H(4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(11) and one H(5) atom. The C(5)-N(11) bond length is 1.35 Å. The C(5)-H(5) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one N(12) and one H(6) atom. The C(6)-N(12) bond length is 1.35 Å. The C(6)-H(6) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(25), one N(7), and one H(7) atom. The C(7)-C(25) bond length is 1.39 Å. The C(7)-N(7) bond length is 1.35 Å. The C(7)-H(7) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(26), one N(8), and one H(8) atom. The C(8)-C(26) bond length is 1.39 Å. The C(8)-N(8) bond length is 1.35 Å. The C(8)-H(8) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(27), one N(9), and one H(9) atom. The C(9)-C(27) bond length is 1.40 Å. The C(9)-N(9) bond length is 1.35 Å. The C(9)-H(9) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(28), one N(10), and one H(10) atom. The C(10)-C(28) bond length is 1.39 Å. The C(10)-N(10) bond length is 1.35 Å. The C(10)-H(10) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(29), one N(11), and one H(11) atom. The C(11)-C(29) bond length is 1.39 Å. The C(11)-N(11) bond length is 1.35 Å. The C(11)-H(11) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(30), one N(12), and one H(12) atom. The C(12)-C(30) bond length is 1.39 Å. The C(12)-N(12) bond length is 1.35 Å. The C(12)-H(12) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal non-coplanar geometry to one C(43), one N(1), one H(13), and one H(19) atom. The C(13)-C(43) bond length is 1.51 Å. The C(13)-N(1) bond length is 1.44 Å. The C(13)-H(13) bond length is 1.10 Å. The C(13)-H(19) bond length is 1.11 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal non-coplanar geometry to one C(44), one N(2), one H(14), and one H(20) atom. The C(14)-C(44) bond length is 1.51 Å. The C(14)-N(2) bond length is 1.48 Å. The C(14)-H(14) bond length is 1.10 Å. The C(14)-H(20) bond length is 1.10 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal non-coplanar geometry to one C(45), one N(3), one H(15), and one H(21) atom. The C(15)-C(45) bond length is 1.51 Å. The C(15)-N(3) bond length is 1.49 Å. The C(15)-H(15) bond length is 1.10 Å. The C(15)-H(21) bond length is 1.10 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal non-coplanar geometry to one C(46), one N(4), one H(16), and one H(22) atom. The C(16)-C(46) bond length is 1.51 Å. The C(16)-N(4) bond length is 1.45 Å. The C(16)-H(16) bond length is 1.10 Å. The C(16)-H(22) bond length is 1.11 Å. In the seventeenth C site, C(17) is bonded in a distorted trigonal non-coplanar geometry to one C(47), one N(5), one H(17), and one H(23) atom. The C(17)-C(47) bond length is 1.52 Å. The C(17)-N(5) bond length is 1.46 Å. The C(17)-H(17) bond length is 1.10 Å. The C(17)-H(23) bond length is 1.11 Å. In the eighteenth C site, C(18) is bonded in a distorted trigonal non-coplanar geometry to one C(48), one N(6), one H(18), and one H(24) atom. The C(18)-C(48) bond length is 1.52 Å. The C(18)-N(6) bond length is 1.46 Å. The C(18)-H(18) bond length is 1.10 Å. The C(18)-H(24) bond length is 1.11 Å. In the nineteenth C site, C(19) is bonded in a 2-coordinate geometry to one N(1) and one H(25) atom. The C(19)-N(1) bond length is 1.42 Å. The C(19)-H(25) bond length is 1.10 Å. In the twentieth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(50), one N(2), and one H(26) atom. The C(20)-C(50) bond length is 1.48 Å. The C(20)-N(2) bond length is 1.28 Å. The C(20)-H(26) bond length is 1.10 Å. In the twenty-first C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(51), one N(3), and one H(27) atom. The C(21)-C(51) bond length is 1.48 Å. The C(21)-N(3) bond length is 1.28 Å. The C(21)-H(27) bond length is 1.10 Å. In the twenty-second C site, C(22) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(28) atom. The C(22)-N(4) bond length is 1.40 Å. The C(22)-H(28) bond length is 1.10 Å. In the twenty-third C site, C(23) is bonded in a 2-coordinate geometry to one N(5) and one H(29) atom. The C(23)-N(5) bond length is 1.46 Å. The C(23)-H(29) bond length is 1.10 Å. In the twenty-fourth C site, C(24) is bonded in a 2-coordinate geometry to one N(6) and one H(30) atom. The C(24)-N(6) bond length is 1.46 Å. The C(24)-H(30) bond length is 1.10 Å. In the twenty-fifth C site, C(25) is bonded in a distorted trigonal planar geometry to one C(43), one C(7), and one H(31) atom. The C(25)-C(43) bond length is 1.40 Å. The C(25)-H(31) bond length is 1.09 Å. In the twenty-sixth C site, C(26) is bonded in a distorted trigonal planar geometry to one C(44), one C(8), and one H(32) atom. The C(26)-C(44) bond length is 1.40 Å. The C(26)-H(32) bond length is 1.09 Å. In the twenty-seventh C site, C(27) is bonded in a distorted trigonal planar geometry to one C(45), one C(9), and one H(33) atom. The C(27)-C(45) bond length is 1.40 Å. The C(27)-H(33) bond length is 1.09 Å. In the twenty-eighth C site, C(28) is bonded in a distorted trigonal planar geometry to one C(10), one C(46), and one H(34) atom. The C(28)-C(46) bond length is 1.40 Å. The C(28)-H(34) bond length is 1.09 Å. In the twenty-ninth C site, C(29) is bonded in a distorted trigonal planar geometry to one C(11), one C(47), and one H(35) atom. The C(29)-C(47) bond length is 1.40 Å. The C(29)-H(35) bond length is 1.09 Å. In the thirtieth C site, C(30) is bonded in a distorted trigonal planar geometry to one C(12), one C(48), and one H(36) atom. The C(30)-C(48) bond length is 1.40 Å. The C(30)-H(36) bond length is 1.09 Å. In the thirty-first C site, C(31) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(7) atom. The C(31)-O(1) bond length is 1.25 Å. The C(31)-O(7) bond length is 1.27 Å. In the thirty-second C site, C(34) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(4) atom. The C(34)-O(10) bond length is 1.26 Å. The C(34)-O(4) bond length is 1.24 Å. In the thirty-third C site, C(35) is bonded in a distorted bent 120 degrees geometry to one O(11) and one O(5) atom. The C(35)-O(11) bond length is 1.27 Å. The C(35)-O(5) bond length is 1.27 Å. In the thirty-fourth C site, C(36) is bonded in a distorted bent 120 degrees geometry to one O(12) and one O(6) atom. The C(36)-O(12) bond length is 1.27 Å. The C(36)-O(6) bond length is 1.27 Å. In the thirty-fifth C site, C(37) is bonded in a distorted single-bond geometry to one C(43) and one H(37) atom. The C(37)-C(43) bond length is 1.40 Å. The C(37)-H(37) 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(2), one C(44), and one H(38) atom. The C(38)-C(44) bond length is 1.40 Å. The C(38)-H(38) bond length is 1.09 Å. In the thirty-seventh C site, C(39) is bonded in a distorted trigonal planar geometry to one C(3), one C(45), and one H(39) atom. The C(39)-C(45) bond length is 1.40 Å. The C(39)-H(39) bond length is 1.09 Å. In the thirty-eighth C site, C(40) is bonded in a distorted single-bond geometry to one C(46) and one H(40) atom. The C(40)-C(46) bond length is 1.40 Å. The C(40)-H(40) bond length is 1.09 Å. In the thirty-ninth C site, C(41) is bonded in a distorted single-bond geometry to one C(47) and one H(41) atom. The C(41)-C(47) bond length is 1.40 Å. The C(41)-H(41) bond length is 1.09 Å. In the fortieth C site, C(42) is bonded in a distorted single-bond geometry to one C(48) and one H(42) atom. The C(42)-C(48) bond length is 1.40 Å. The C(42)-H(42) bond length is 1.09 Å. In the forty-first C site, C(43) is bonded in a trigonal planar geometry to one C(13), one C(25), and one C(37) atom. In the forty-second C site, C(44) is bonded in a trigonal planar geometry to one C(14), one C(26), and one C(38) atom. In the forty-third C site, C(45) is bonded in a trigonal planar geometry to one C(15), one C(27), and one C(39) atom. In the forty-fourth C site, C(46) is bonded in a trigonal planar geometry to one C(16), one C(28), and one C(40) atom. In the forty-fifth C site, C(47) is bonded in a trigonal planar geometry to one C(17), one C(29), and one C(41) atom. In the forty-sixth C site, C(48) is bonded in a trigonal planar geometry to one C(18), one C(30), and one C(42) atom. In the forty-seventh C site, C(50) is bonded in a distorted trigonal non-coplanar geometry to one C(20), one H(44), one H(50), and one H(56) atom. The C(50)-H(44) bond length is 1.10 Å. The C(50)-H(50) bond length is 1.10 Å. The C(50)-H(56) bond length is 1.09 Å. In the forty-eighth C site, C(51) is bonded in a distorted trigonal non-coplanar geometry to one C(21), one H(45), one H(51), and one H(57) atom. The C(51)-H(45) bond length is 1.10 Å. The C(51)-H(51) bond length is 1.10 Å. The C(51)-H(57) bond length is 1.09 Å. In the forty-ninth C site, C(55) is bonded in a trigonal planar geometry to one H(61), one O(13), and one O(19) atom. The C(55)-H(61) bond length is 1.12 Å. The C(55)-O(13) bond length is 1.29 Å. The C(55)-O(19) bond length is 1.25 Å. In the fiftieth C site, C(56) is bonded in a trigonal planar geometry to one H(62), one O(14), and one O(20) atom. The C(56)-H(62) bond length is 1.11 Å. The C(56)-O(14) bond length is 1.30 Å. The C(56)-O(20) bond length is 1.24 Å. In the fifty-first C site, C(57) is bonded in a trigonal planar geometry to one H(63), one O(15), and one O(21) atom. The C(57)-H(63) bond length is 1.11 Å. The C(57)-O(15) bond length is 1.30 Å. The C(57)-O(21) bond length is 1.24 Å. In the fifty-second C site, C(58) is bonded in a trigonal planar geometry to one H(64), one O(16), and one O(22) atom. The C(58)-H(64) bond length is 1.11 Å. The C(58)-O(16) bond length is 1.30 Å. The C(58)-O(22) bond length is 1.24 Å. In the fifty-third C site, C(59) is bonded in a trigonal planar geometry to one H(65), one O(17), and one O(23) atom. The C(59)-H(65) bond length is 1.11 Å. The C(59)-O(17) bond length is 1.29 Å. The C(59)-O(23) bond length is 1.25 Å. In the fifty-fourth C site, C(60) is bonded in a trigonal planar geometry to one H(66), one O(18), and one O(24) atom. The C(60)-H(66) bond length is 1.11 Å. The C(60)-O(18) bond length is 1.29 Å. The C(60)-O(24) bond length is 1.25 Å. There are twelve inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(13), and one C(19) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(2), one C(14), and one C(20) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Zn(3), one C(15), and one C(21) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Zn(4), one C(16), and one C(22) atom. In the fifth N site, N(5) is bonded in a trigonal non-coplanar geometry to one Zn(5), one C(17), and one C(23) atom. In the sixth N site, N(6) is bonded in a trigonal non-coplanar geometry to one Zn(6), one C(18), and one C(24) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Zn(2), one C(1), and one C(7) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Zn(3), one C(2), and one C(8) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Zn(4), one C(3), and one C(9) atom. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one Zn(5), one C(10), and one C(4) atom. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one Zn(6), one C(11), and one C(5) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one Zn(1), one C(12), and one C(6) atom. There are fifty-four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(7) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(8) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(10) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(11) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(12) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(13) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(14) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(15) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(16) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(17) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(18) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(13) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(14) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(15) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(16) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one C(17) atom. In the twenty-fourth H site, H(24) is bonded in a single-bond geometry to one C(18) atom. In the twenty-fifth H site, H(25) is bonded in a single-bond geometry to one C(19) atom. In the twenty-sixth H site, H(26) is bonded in a single-bond geometry to one C(20) atom. In the twenty-seventh H site, H(27) is bonded in a single-bond geometry to one C(21) atom. In the twenty-eighth H site, H(28) is bonded in a single-bond geometry to one C(22) atom. In the twenty-ninth H site, H(29) is bonded in a single-bond geometry to one C(23) atom. In the thirtieth H site, H(30) is bonded in a single-bond geometry to one C(24) atom. In the thirty-first H site, H(31) is bonded in a single-bond geometry to one C(25) atom. In the thirty-second H site, H(32) is bonded in a single-bond geometry to one C(26) atom. In the thirty-third H site, H(33) is bonded in a single-bond geometry to one C(27) atom. In the thirty-fourth H site, H(34) is bonded in a single-bond geometry to one C(28) atom. In the thirty-fifth H site, H(35) is bonded in a single-bond geometry to one C(29) atom. In the thirty-sixth H site, H(36) is bonded in a single-bond geometry to one C(30) atom. In the thirty-seventh H site, H(37) is bonded in a single-bond geometry to one C(37) atom. In the thirty-eighth H site, H(38) is bonded in a single-bond geometry to one C(38) atom. In the thirty-ninth H site, H(39) is bonded in a single-bond geometry to one C(39) atom. In the fortieth H site, H(40) is bonded in a single-bond geometry to one C(40) atom. In the forty-first H site, H(41) is bonded in a single-bond geometry to one C(41) atom. In the forty-second H site, H(42) is bonded in a single-bond geometry to one C(42) atom. In the forty-third H site, H(44) is bonded in a single-bond geometry to one C(50) atom. In the forty-fourth H site, H(45) is bonded in a single-bond geometry to one C(51) atom. In the forty-fifth H site, H(50) is bonded in a single-bond geometry to one C(50) atom. In the forty-sixth H site, H(51) is bonded in a single-bond geometry to one C(51) atom. In the forty-seventh H site, H(56) is bonded in a single-bond geometry to one C(50) atom. In the forty-eighth H site, H(57) is bonded in a single-bond geometry to one C(51) atom. In the forty-ninth H site, H(61) is bonded in a single-bond geometry to one C(55) atom. In the fiftieth H site, H(62) is bonded in a single-bond geometry to one C(56) atom. In the fifty-first H site, H(63) is bonded in a single-bond geometry to one C(57) atom. In the fifty-second H site, H(64) is bonded in a single-bond geometry to one C(58) atom. In the fifty-third H site, H(65) is bonded in a single-bond geometry to one C(59) atom. In the fifty-fourth H site, H(66) is bonded in a single-bond geometry to one C(60) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Zn(1) and one C(31) atom. In the second O site, O(4) is bonded in a single-bond geometry to one C(34) atom. In the third O site, O(5) is bonded in a water-like geometry to one Zn(5) and one C(35) atom. In the fourth O site, O(6) is bonded in a water-like geometry to one Zn(6) and one C(36) atom. In the fifth O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(4) and one C(31) atom. In the sixth O site, O(10) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(34) atom. In the seventh O site, O(11) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(35) atom. In the eighth O site, O(12) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(36) atom. In the ninth O site, O(13) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(55) atom. In the tenth O site, O(14) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(56) atom. In the eleventh O site, O(15) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(57) atom. In the twelfth O site, O(16) is bonded in a bent 120 degrees geometry to one Zn(4) and one C(58) atom. In the thirteenth O site, O(17) is bonded in a bent 120 degrees geometry to one Zn(5) and one C(59) atom. In the fourteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Zn(6) and one C(60) atom. In the fifteenth O site, O(19) is bonded in a single-bond geometry to one C(55) atom. In the sixteenth O site, O(20) is bonded in a single-bond geometry to one C(56) atom. In the seventeenth O site, O(21) is bonded in a single-bond geometry to one C(57) atom. In the eighteenth O site, O(22) is bonded in a single-bond geometry to one C(58) atom. In the nineteenth O site, O(23) is bonded in a single-bond geometry to one C(59) atom. In the twentieth O site, O(24) is bonded in a single-bond geometry to one C(60) atom. Linkers: 4 C[C@H]([N]Cc1ccncc1)C([O])=O ,2 C/C=N/Cc1ccncc1. Metal clusters: 6 [Zn]. The MOF has largest included sphere 9.40 A, density 1.03 g/cm3, surface area 4687.19 m2/g, accessible volume 0.53 cm3/g