Zn2C48H45(NO)8(CH)2 crystallizes in the orthorhombic Pnma space group. The structure consists of sixteen 02329_fluka molecules inside a Zn2C48H45(NO)8 framework. In the Zn2C48H45(NO)8 framework, there are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one N(2), one N(4), one O(1), and one O(3) atom. The Zn(1)-N(2) bond length is 1.99 Å. The Zn(1)-N(4) bond length is 2.02 Å. The Zn(1)-O(1) bond length is 1.94 Å. The Zn(1)-O(3) bond length is 1.95 Å. In the second Zn site, Zn(2) is bonded in a distorted tetrahedral geometry to two equivalent N(1), one O(11), and one O(8) atom. Both Zn(2)-N(1) bond lengths are 2.02 Å. The Zn(2)-O(11) bond length is 2.04 Å. The Zn(2)-O(8) bond length is 2.02 Å. In the third Zn site, Zn(3) is bonded in a distorted tetrahedral geometry to two equivalent N(3), one O(6), and one O(9) atom. Both Zn(3)-N(3) bond lengths are 2.01 Å. The Zn(3)-O(6) bond length is 2.02 Å. The Zn(3)-O(9) bond length is 1.99 Å. There are fifty-five inequivalent C sites. In the first C site, C(43) is bonded in a distorted bent 120 degrees geometry to one C(44), one O(5), and one O(6) atom. The C(43)-C(44) bond length is 1.49 Å. The C(43)-O(5) bond length is 1.24 Å. The C(43)-O(6) bond length is 1.29 Å. In the second C site, C(44) is bonded in a trigonal planar geometry to one C(43), one C(45), and one C(49) atom. The C(44)-C(45) bond length is 1.39 Å. The C(44)-C(49) bond length is 1.39 Å. In the third C site, C(45) is bonded in a distorted single-bond geometry to one C(44) and one H(46) atom. The C(45)-H(46) bond length is 0.97 Å. In the fourth C site, C(47) is bonded in a single-bond geometry to one C(48) and one H(47) atom. The C(47)-C(48) bond length is 1.39 Å. The C(47)-H(47) bond length is 0.91 Å. In the fifth C site, C(48) is bonded in a trigonal planar geometry to one C(47), one C(49), and one C(50) atom. The C(48)-C(49) bond length is 1.41 Å. The C(48)-C(50) bond length is 1.50 Å. In the sixth C site, C(49) is bonded in a distorted single-bond geometry to one C(44), one C(48), and one H(48) atom. The C(49)-H(48) bond length is 0.98 Å. In the seventh C site, C(50) is bonded in a bent 120 degrees geometry to one C(48), one O(7), and one O(8) atom. The C(50)-O(7) bond length is 1.23 Å. The C(50)-O(8) bond length is 1.29 Å. In the eighth C site, C(51) is bonded in a bent 120 degrees geometry to one C(52), one O(10), and one O(9) atom. The C(51)-C(52) bond length is 1.50 Å. The C(51)-O(10) bond length is 1.23 Å. The C(51)-O(9) bond length is 1.31 Å. In the ninth C site, C(52) is bonded in a trigonal planar geometry to one C(51), one C(53), and one C(57) atom. The C(52)-C(53) bond length is 1.36 Å. The C(52)-C(57) bond length is 1.40 Å. In the tenth C site, C(53) is bonded in a distorted single-bond geometry to one C(52) and one H(44) atom. The C(53)-H(44) bond length is 0.91 Å. In the eleventh C site, C(55) is bonded in a distorted single-bond geometry to one C(56) and one H(51) atom. The C(55)-C(56) bond length is 1.39 Å. The C(55)-H(51) bond length is 1.07 Å. In the twelfth C site, C(56) is bonded in a trigonal planar geometry to one C(55), one C(57), and one C(58) atom. The C(56)-C(57) bond length is 1.40 Å. The C(56)-C(58) bond length is 1.52 Å. In the thirteenth C site, C(57) is bonded in a distorted single-bond geometry to one C(52), one C(56), and one H(50) atom. The C(57)-H(50) bond length is 0.85 Å. In the fourteenth C site, C(58) is bonded in a bent 120 degrees geometry to one C(56), one O(11), and one O(12) atom. The C(58)-O(11) bond length is 1.27 Å. The C(58)-O(12) bond length is 1.23 Å. In the fifteenth C site, C(1) is bonded in a 3-coordinate geometry to one C(2), one N(5), one H(1), and one H(2) atom. The C(1)-C(2) bond length is 1.50 Å. The C(1)-N(5) bond length is 1.48 Å. The C(1)-H(1) bond length is 0.97 Å. The C(1)-H(2) bond length is 0.97 Å. In the sixteenth C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(7) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-C(7) bond length is 1.41 Å. In the seventeenth C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(39), and one C(4) atom. The C(3)-C(39) bond length is 1.50 Å. The C(3)-C(4) bond length is 1.39 Å. In the eighteenth C site, C(4) is bonded in a single-bond geometry to one C(3), one C(5), and one H(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(3) bond length is 0.93 Å. In the nineteenth C site, C(5) is bonded in a trigonal planar geometry to one C(38), one C(4), and one C(6) atom. The C(5)-C(38) bond length is 1.54 Å. The C(5)-C(6) bond length is 1.40 Å. In the twentieth C site, C(6) is bonded in a trigonal planar geometry to one C(5), one C(7), and one C(8) atom. The C(6)-C(7) bond length is 1.40 Å. The C(6)-C(8) bond length is 1.51 Å. In the twenty-first C site, C(7) is bonded in a trigonal planar geometry to one C(2), one C(37), and one C(6) atom. The C(7)-C(37) bond length is 1.51 Å. In the twenty-second C site, C(8) is bonded in a 3-coordinate geometry to one C(6), one N(6), one H(4), and one H(5) atom. The C(8)-N(6) bond length is 1.48 Å. The C(8)-H(4) bond length is 0.97 Å. The C(8)-H(5) bond length is 0.97 Å. In the twenty-third C site, C(9) is bonded in a trigonal planar geometry to one N(1), one N(5), and one H(43) atom. The C(9)-N(1) bond length is 1.31 Å. The C(9)-N(5) bond length is 1.33 Å. The C(9)-H(43) bond length is 0.85 Å. In the twenty-fourth C site, C(10) is bonded in a 3-coordinate geometry to one C(11), one N(5), and one H(6) atom. The C(10)-C(11) bond length is 1.34 Å. The C(10)-N(5) bond length is 1.36 Å. The C(10)-H(6) bond length is 0.93 Å. In the twenty-fifth C site, C(11) is bonded in a 3-coordinate geometry to one C(10), one N(1), and one H(7) atom. The C(11)-N(1) bond length is 1.36 Å. The C(11)-H(7) bond length is 0.93 Å. In the twenty-sixth C site, C(12) is bonded in a trigonal planar geometry to one N(2), one N(6), and one H(8) atom. The C(12)-N(2) bond length is 1.32 Å. The C(12)-N(6) bond length is 1.33 Å. The C(12)-H(8) bond length is 0.93 Å. In the twenty-seventh C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(14), one N(6), and one H(9) atom. The C(13)-C(14) bond length is 1.34 Å. The C(13)-N(6) bond length is 1.38 Å. The C(13)-H(9) bond length is 0.93 Å. In the twenty-eighth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(13), one N(2), and one H(10) atom. The C(14)-N(2) bond length is 1.37 Å. The C(14)-H(10) bond length is 0.93 Å. In the twenty-ninth C site, C(15) is bonded in a trigonal planar geometry to one N(4), one N(7), and one H(11) atom. The C(15)-N(4) bond length is 1.32 Å. The C(15)-N(7) bond length is 1.33 Å. The C(15)-H(11) bond length is 0.93 Å. In the thirtieth C site, C(16) is bonded in a 3-coordinate geometry to one C(17), one N(7), and one H(12) atom. The C(16)-C(17) bond length is 1.34 Å. The C(16)-N(7) bond length is 1.36 Å. The C(16)-H(12) bond length is 0.93 Å. In the thirty-first C site, C(17) is bonded in a 3-coordinate geometry to one C(16), one N(4), and one H(13) atom. The C(17)-N(4) bond length is 1.37 Å. The C(17)-H(13) bond length is 0.93 Å. In the thirty-second C site, C(18) is bonded in a 3-coordinate geometry to one C(19); one N(7); and two equivalent H(14,15) atoms. The C(18)-C(19) bond length is 1.51 Å. The C(18)-N(7) bond length is 1.48 Å. Both C(18)-H(14,15) bond lengths are 0.97 Å. In the thirty-third C site, C(19) is bonded in a trigonal planar geometry to one C(18), one C(20), and one C(24) atom. The C(19)-C(20) bond length is 1.40 Å. The C(19)-C(24) bond length is 1.39 Å. In the thirty-fourth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(22), and one C(40) atom. The C(20)-C(22) bond length is 1.37 Å. The C(20)-C(40) bond length is 1.53 Å. In the thirty-fifth C site, C(21) is bonded in a trigonal planar geometry to one C(22), one C(23), and one C(42) atom. The C(21)-C(22) bond length is 1.38 Å. The C(21)-C(23) bond length is 1.39 Å. The C(21)-C(42) bond length is 1.50 Å. In the thirty-sixth C site, C(22) is bonded in a bent 120 degrees geometry to one C(20) and one C(21) atom. In the thirty-seventh C site, C(23) is bonded in a trigonal planar geometry to one C(21), one C(24), and one C(28) atom. The C(23)-C(24) bond length is 1.40 Å. The C(23)-C(28) bond length is 1.51 Å. In the thirty-eighth C site, C(24) is bonded in a trigonal planar geometry to one C(19), one C(23), and one C(41) atom. The C(24)-C(41) bond length is 1.51 Å. In the thirty-ninth C site, C(25) is bonded in a 3-coordinate geometry to one C(26), one N(3), and one H(16) atom. The C(25)-C(26) bond length is 1.34 Å. The C(25)-N(3) bond length is 1.35 Å. The C(25)-H(16) bond length is 0.93 Å. In the fortieth C site, C(26) is bonded in a distorted water-like geometry to one C(25), one N(8), and one H(42) atom. The C(26)-N(8) bond length is 1.36 Å. The C(26)-H(42) bond length is 0.87 Å. In the forty-first C site, C(27) is bonded in a trigonal planar geometry to one N(3), one N(8), and one H(38) atom. The C(27)-N(3) bond length is 1.31 Å. The C(27)-N(8) bond length is 1.32 Å. The C(27)-H(38) bond length is 1.01 Å. In the forty-second C site, C(28) is bonded in a 3-coordinate geometry to one C(23); one N(8); and two equivalent H(17,18) atoms. The C(28)-N(8) bond length is 1.47 Å. Both C(28)-H(17,18) bond lengths are 0.97 Å. In the forty-third C site, C(29) is bonded in a distorted bent 120 degrees geometry to one C(30), one O(1), and one O(2) atom. The C(29)-C(30) bond length is 1.50 Å. The C(29)-O(1) bond length is 1.28 Å. The C(29)-O(2) bond length is 1.22 Å. In the forty-fourth C site, C(30) is bonded in a trigonal planar geometry to one C(29), one C(31), and one C(35) atom. The C(30)-C(31) bond length is 1.38 Å. The C(30)-C(35) bond length is 1.39 Å. In the forty-fifth C site, C(31) is bonded in a distorted single-bond geometry to one C(30) and one H(40) atom. The C(31)-H(40) bond length is 0.93 Å. In the forty-sixth C site, C(33) is bonded in a distorted bent 120 degrees geometry to one C(34), one O(3), and one O(4) atom. The C(33)-C(34) bond length is 1.51 Å. The C(33)-O(3) bond length is 1.29 Å. The C(33)-O(4) bond length is 1.23 Å. In the forty-seventh C site, C(34) is bonded in a trigonal planar geometry to one C(33), one C(35), and one C(36) atom. The C(34)-C(35) bond length is 1.37 Å. The C(34)-C(36) bond length is 1.37 Å. In the forty-eighth C site, C(35) is bonded in a single-bond geometry to one C(30), one C(34), and one H(39) atom. The C(35)-H(39) bond length is 0.87 Å. In the forty-ninth C site, C(36) is bonded in a distorted single-bond geometry to one C(34) and one H(41) atom. The C(36)-H(41) bond length is 0.95 Å. In the fiftieth C site, C(37) is bonded in a trigonal non-coplanar geometry to one C(7), one H(20), one H(21), and one H(22) atom. The C(37)-H(20) bond length is 0.96 Å. The C(37)-H(21) bond length is 0.96 Å. The C(37)-H(22) bond length is 0.96 Å. In the fifty-first C site, C(38) is bonded in a trigonal non-coplanar geometry to one C(5) and three equivalent H(23,24,25) atoms. All C(38)-H(23,24,25) bond lengths are 0.96 Å. In the fifty-second C site, C(39) is bonded in a trigonal non-coplanar geometry to one C(3), one H(26), one H(27), and one H(28) atom. The C(39)-H(26) bond length is 0.96 Å. The C(39)-H(27) bond length is 0.96 Å. The C(39)-H(28) bond length is 0.96 Å. In the fifty-third C site, C(40) is bonded in a trigonal non-coplanar geometry to one C(20); one H(31); and two equivalent H(29,30) atoms. The C(40)-H(31) bond length is 0.96 Å. Both C(40)-H(29,30) bond lengths are 0.96 Å. In the fifty-fourth C site, C(41) is bonded in a trigonal non-coplanar geometry to one C(24) and three equivalent H(32,33,34) atoms. All C(41)-H(32,33,34) bond lengths are 0.96 Å. In the fifty-fifth C site, C(42) is bonded in a trigonal non-coplanar geometry to one C(21); one H(37); and two equivalent H(35,36) atoms. The C(42)-H(37) bond length is 0.96 Å. Both C(42)-H(35,36) bond lengths are 0.96 Å. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(2), one C(11), and one C(9) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(1), one C(12), and one C(14) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Zn(3), one C(25), and one C(27) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Zn(1), one C(15), and one C(17) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(1), one C(10), and one C(9) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one C(12), one C(13), and one C(8) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one C(15), one C(16), and one C(18) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one C(26), one C(27), and one C(28) atom. There are forty 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(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(12) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(13) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(14) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(15) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(16) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(17) atom. In the fourteenth H site, H(14,15) is bonded in a single-bond geometry to one C(18) atom. In the fifteenth H site, H(16) is bonded in a single-bond geometry to one C(25) atom. In the sixteenth H site, H(17,18) is bonded in a single-bond geometry to one C(28) atom. In the seventeenth H site, H(20) is bonded in a single-bond geometry to one C(37) atom. In the eighteenth H site, H(21) is bonded in a single-bond geometry to one C(37) atom. In the nineteenth H site, H(22) is bonded in a single-bond geometry to one C(37) atom. In the twentieth H site, H(23,24,25) is bonded in a single-bond geometry to one C(38) atom. In the twenty-first H site, H(26) is bonded in a single-bond geometry to one C(39) atom. In the twenty-second H site, H(27) is bonded in a single-bond geometry to one C(39) atom. In the twenty-third H site, H(28) is bonded in a single-bond geometry to one C(39) atom. In the twenty-fourth H site, H(29,30) is bonded in a single-bond geometry to one C(40) atom. In the twenty-fifth H site, H(31) is bonded in a single-bond geometry to one C(40) atom. In the twenty-sixth H site, H(32,33,34) is bonded in a single-bond geometry to one C(41) atom. In the twenty-seventh H site, H(35,36) is bonded in a single-bond geometry to one C(42) atom. In the twenty-eighth H site, H(37) is bonded in a single-bond geometry to one C(42) atom. In the twenty-ninth H site, H(38) is bonded in a single-bond geometry to one C(27) atom. In the thirtieth H site, H(39) is bonded in a single-bond geometry to one C(35) atom. In the thirty-first H site, H(40) is bonded in a single-bond geometry to one C(31) atom. In the thirty-second H site, H(41) is bonded in a single-bond geometry to one C(36) atom. In the thirty-third H site, H(42) is bonded in a single-bond geometry to one C(26) atom. In the thirty-fourth H site, H(43) is bonded in a single-bond geometry to one C(9) atom. In the thirty-fifth H site, H(44) is bonded in a single-bond geometry to one C(53) atom. In the thirty-sixth H site, H(46) is bonded in a single-bond geometry to one C(45) atom. In the thirty-seventh H site, H(47) is bonded in a single-bond geometry to one C(47) atom. In the thirty-eighth H site, H(48) is bonded in a single-bond geometry to one C(49) atom. In the thirty-ninth H site, H(50) is bonded in a single-bond geometry to one C(57) atom. In the fortieth H site, H(51) is bonded in a single-bond geometry to one C(55) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Zn(1) and one C(29) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(29) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(33) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(33) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(43) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Zn(3) and one C(43) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one C(50) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(50) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(51) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one C(51) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Zn(2) and one C(58) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one C(58) atom. Linkers: 8 Cc1cc(C)c(Cn2ccnc2)c(C)c1Cn1ccnc1 ,16 [O]C(=O)c1cccc(C([O])=O)c1 ,8 Cc1[c]c(C)c(Cn2ccnc2)c(C)c1Cn1ccnc1. Metal clusters: 16 O=[C]O[Zn]O[C]=O. The MOF has largest included sphere 4.99 A, density 1.35 g/cm3, surface area 5041.01 m2/g, accessible volume 0.26 cm3/g