Zn4C49H42(N4O9)2(CH)2 crystallizes in the monoclinic P2_1/c space group. The structure consists of eight 02329_fluka molecules inside a Zn4C49H42(N4O9)2 framework. In the Zn4C49H42(N4O9)2 framework, there are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing ZnO6 octahedra. The Zn(1)-O(1) bond length is 2.05 Å. The Zn(1)-O(2) bond length is 2.07 Å. The Zn(1)-O(3) bond length is 2.19 Å. The Zn(1)-O(4) bond length is 2.09 Å. The Zn(1)-O(5) bond length is 2.15 Å. The Zn(1)-O(6) bond length is 2.18 Å. In the second Zn site, Zn(2) is bonded to one O(1), one O(15), one O(7), and one O(8) atom to form ZnO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(3)O4 tetrahedra, and  a cornercorner with one Zn(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 70°. The Zn(2)-O(1) bond length is 1.94 Å. The Zn(2)-O(15) bond length is 2.00 Å. The Zn(2)-O(7) bond length is 1.98 Å. The Zn(2)-O(8) bond length is 2.01 Å. In the third Zn site, Zn(3) is bonded to one O(1), one O(10), one O(11), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O4 tetrahedra, and  a cornercorner with one Zn(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 73°. The Zn(3)-O(1) bond length is 1.94 Å. The Zn(3)-O(10) bond length is 1.94 Å. The Zn(3)-O(11) bond length is 2.00 Å. The Zn(3)-O(9) bond length is 1.97 Å. In the fourth Zn site, Zn(4) is bonded to one O(1), one O(12), one O(13), and one O(14) atom to form ZnO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O4 tetrahedra, and  a cornercorner with one Zn(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. The Zn(4)-O(1) bond length is 1.95 Å. The Zn(4)-O(12) bond length is 1.97 Å. The Zn(4)-O(13) bond length is 1.99 Å. The Zn(4)-O(14) bond length is 1.99 Å. There are forty-nine inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(27), one C(31), and one H(7) atom. The C(1)-C(27) bond length is 1.39 Å. The C(1)-C(31) bond length is 1.40 Å. The C(1)-H(7) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(31) and one H(8) atom. The C(2)-C(31) bond length is 1.40 Å. The C(2)-H(8) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(9) and one N(8) atom. The C(3)-C(9) bond length is 1.41 Å. The C(3)-N(8) bond length is 1.40 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(13), one C(22), and one H(9) atom. The C(4)-C(13) bond length is 1.40 Å. The C(4)-C(22) bond length is 1.39 Å. The C(4)-H(9) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(10) and one H(10) atom. The C(5)-C(10) bond length is 1.41 Å. The C(5)-H(10) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(26) and one H(11) atom. The C(6)-C(26) bond length is 1.41 Å. The C(6)-H(11) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(27), one C(42), and one N(7) atom. The C(7)-C(27) bond length is 1.41 Å. The C(7)-C(42) bond length is 1.41 Å. The C(7)-N(7) bond length is 1.39 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(30), one C(45), and one H(12) atom. The C(8)-C(30) bond length is 1.39 Å. The C(8)-C(45) bond length is 1.40 Å. The C(8)-H(12) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(28), one C(3), and one H(13) atom. The C(9)-C(28) bond length is 1.39 Å. The C(9)-H(13) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(30), one C(5), and one N(4) atom. The C(10)-C(30) bond length is 1.41 Å. The C(10)-N(4) bond length is 1.40 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one N(1), one N(7), and one O(16) atom. The C(11)-N(1) bond length is 1.38 Å. The C(11)-N(7) bond length is 1.40 Å. The C(11)-O(16) bond length is 1.23 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(47) and one N(6) atom. The C(12)-C(47) bond length is 1.41 Å. The C(12)-N(6) bond length is 1.40 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(14), one C(18), and one C(4) atom. The C(13)-C(14) bond length is 1.49 Å. The C(13)-C(18) bond length is 1.40 Å. In the fourteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(8), and one O(9) atom. The C(14)-O(8) bond length is 1.28 Å. The C(14)-O(9) bond length is 1.28 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one N(2), one H(14), and one O(3) atom. The C(15)-N(2) bond length is 1.34 Å. The C(15)-H(14) bond length is 1.10 Å. The C(15)-O(3) bond length is 1.26 Å. In the sixteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(24), one O(12), and one O(2) atom. The C(16)-C(24) bond length is 1.50 Å. The C(16)-O(12) bond length is 1.29 Å. The C(16)-O(2) bond length is 1.27 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(45) and one H(15) atom. The C(17)-C(45) bond length is 1.40 Å. The C(17)-H(15) bond length is 1.09 Å. In the eighteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(13), one C(41), and one H(16) atom. The C(18)-C(41) bond length is 1.38 Å. The C(18)-H(16) bond length is 1.09 Å. In the nineteenth C site, C(19) is bonded in a trigonal planar geometry to one N(4), one N(8), and one O(18) atom. The C(19)-N(4) bond length is 1.39 Å. The C(19)-N(8) bond length is 1.39 Å. The C(19)-O(18) bond length is 1.23 Å. In the twentieth C site, C(20) is bonded in a distorted single-bond geometry to one C(40) and one H(17) atom. The C(20)-C(40) bond length is 1.40 Å. The C(20)-H(17) bond length is 1.09 Å. In the twenty-first C site, C(22) is bonded in a distorted trigonal planar geometry to one C(29), one C(4), and one H(19) atom. The C(22)-C(29) bond length is 1.41 Å. The C(22)-H(19) bond length is 1.09 Å. In the twenty-second C site, C(23) is bonded in a distorted trigonal planar geometry to one C(33), one C(40), and one H(20) atom. The C(23)-C(33) bond length is 1.39 Å. The C(23)-C(40) bond length is 1.40 Å. The C(23)-H(20) bond length is 1.09 Å. In the twenty-third C site, C(24) is bonded in a trigonal planar geometry to one C(16), one C(44), and one C(46) atom. The C(24)-C(44) bond length is 1.40 Å. The C(24)-C(46) bond length is 1.40 Å. In the twenty-fourth C site, C(25) is bonded in a trigonal planar geometry to one N(3), one N(6), and one O(17) atom. The C(25)-N(3) bond length is 1.39 Å. The C(25)-N(6) bond length is 1.39 Å. The C(25)-O(17) bond length is 1.23 Å. In the twenty-fifth C site, C(26) is bonded in a distorted trigonal planar geometry to one C(33), one C(6), and one N(1) atom. The C(26)-C(33) bond length is 1.41 Å. The C(26)-N(1) bond length is 1.40 Å. In the twenty-sixth C site, C(27) is bonded in a distorted trigonal planar geometry to one C(1), one C(7), and one H(21) atom. The C(27)-H(21) bond length is 1.09 Å. In the twenty-seventh C site, C(28) is bonded in a distorted single-bond geometry to one C(36), one C(9), and one H(22) atom. The C(28)-C(36) bond length is 1.40 Å. The C(28)-H(22) bond length is 1.09 Å. In the twenty-eighth C site, C(29) is bonded in a distorted trigonal planar geometry to one C(22), one C(41), and one N(3) atom. The C(29)-C(41) bond length is 1.41 Å. The C(29)-N(3) bond length is 1.40 Å. In the twenty-ninth C site, C(30) is bonded in a distorted trigonal planar geometry to one C(10), one C(8), and one H(23) atom. The C(30)-H(23) bond length is 1.09 Å. In the thirtieth C site, C(31) is bonded in a trigonal planar geometry to one C(1), one C(2), and one C(38) atom. The C(31)-C(38) bond length is 1.49 Å. In the thirty-first C site, C(32) is bonded in a distorted bent 120 degrees geometry to one C(45), one O(11), and one O(13) atom. The C(32)-C(45) bond length is 1.49 Å. The C(32)-O(11) bond length is 1.28 Å. The C(32)-O(13) bond length is 1.28 Å. In the thirty-second C site, C(33) is bonded in a distorted trigonal planar geometry to one C(23), one C(26), and one H(24) atom. The C(33)-H(24) bond length is 1.08 Å. In the thirty-third C site, C(34) is bonded in a distorted bent 120 degrees geometry to one C(40), one O(10), and one O(4) atom. The C(34)-C(40) bond length is 1.49 Å. The C(34)-O(10) bond length is 1.29 Å. The C(34)-O(4) bond length is 1.27 Å. In the thirty-fourth C site, C(35) is bonded to one N(2), one H(25), one H(26), and one H(27) atom to form corner-sharing CH3N tetrahedra. The C(35)-N(2) bond length is 1.46 Å. The C(35)-H(25) bond length is 1.09 Å. The C(35)-H(26) bond length is 1.10 Å. The C(35)-H(27) bond length is 1.10 Å. In the thirty-fifth C site, C(36) is bonded in a trigonal planar geometry to one C(28), one C(39), and one C(43) atom. The C(36)-C(39) bond length is 1.49 Å. The C(36)-C(43) bond length is 1.40 Å. In the thirty-sixth C site, C(37) is bonded in a trigonal planar geometry to one N(5), one H(28), and one O(6) atom. The C(37)-N(5) bond length is 1.34 Å. The C(37)-H(28) bond length is 1.10 Å. The C(37)-O(6) bond length is 1.25 Å. In the thirty-seventh C site, C(38) is bonded in a distorted bent 120 degrees geometry to one C(31), one O(15), and one O(5) atom. The C(38)-O(15) bond length is 1.30 Å. The C(38)-O(5) bond length is 1.26 Å. In the thirty-eighth C site, C(39) is bonded in a distorted bent 120 degrees geometry to one C(36), one O(14), and one O(7) atom. The C(39)-O(14) bond length is 1.28 Å. The C(39)-O(7) bond length is 1.28 Å. In the thirty-ninth C site, C(40) is bonded in a trigonal planar geometry to one C(20), one C(23), and one C(34) atom. In the fortieth C site, C(41) is bonded in a distorted trigonal planar geometry to one C(18), one C(29), and one H(29) atom. The C(41)-H(29) bond length is 1.09 Å. In the forty-first C site, C(42) is bonded in a distorted single-bond geometry to one C(7) and one H(30) atom. The C(42)-H(30) bond length is 1.09 Å. In the forty-second C site, C(43) is bonded in a distorted single-bond geometry to one C(36) and one H(31) atom. The C(43)-H(31) bond length is 1.09 Å. In the forty-third C site, C(44) is bonded in a distorted trigonal planar geometry to one C(24), one C(47), and one H(32) atom. The C(44)-C(47) bond length is 1.39 Å. The C(44)-H(32) bond length is 1.09 Å. In the forty-fourth C site, C(45) is bonded in a trigonal planar geometry to one C(17), one C(32), and one C(8) atom. In the forty-fifth C site, C(46) is bonded in a distorted single-bond geometry to one C(24) and one H(33) atom. The C(46)-H(33) bond length is 1.09 Å. In the forty-sixth C site, C(47) is bonded in a distorted trigonal planar geometry to one C(12), one C(44), and one H(34) atom. The C(47)-H(34) bond length is 1.09 Å. In the forty-seventh C site, C(48) is bonded to one N(5), one H(35), one H(36), and one H(37) atom to form corner-sharing CH3N tetrahedra. The C(48)-N(5) bond length is 1.45 Å. The C(48)-H(35) bond length is 1.10 Å. The C(48)-H(36) bond length is 1.10 Å. The C(48)-H(37) bond length is 1.10 Å. In the forty-eighth C site, C(49) is bonded to one N(5), one H(38), one H(39), and one H(40) atom to form corner-sharing CH3N tetrahedra. The C(49)-N(5) bond length is 1.46 Å. The C(49)-H(38) bond length is 1.10 Å. The C(49)-H(39) bond length is 1.10 Å. The C(49)-H(40) bond length is 1.10 Å. In the forty-ninth C site, C(50) is bonded to one N(2), one H(41), one H(42), and one H(43) atom to form corner-sharing CH3N tetrahedra. The C(50)-N(2) bond length is 1.45 Å. The C(50)-H(41) bond length is 1.10 Å. The C(50)-H(42) bond length is 1.10 Å. The C(50)-H(43) bond length is 1.10 Å. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one C(11), one C(26), and one H(1) atom. The N(1)-H(1) bond length is 1.02 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(15), one C(35), and one C(50) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(25), one C(29), and one H(2) atom. The N(3)-H(2) bond length is 1.02 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(10), one C(19), and one H(3) atom. The N(4)-H(3) bond length is 1.01 Å. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(37), one C(48), and one C(49) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one C(12), one C(25), and one H(4) atom. The N(6)-H(4) bond length is 1.02 Å. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one C(11), one C(7), and one H(5) atom. The N(7)-H(5) bond length is 1.02 Å. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one C(19), one C(3), and one H(6) atom. The N(8)-H(6) bond length is 1.02 Å. There are forty-two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(7) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(8) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(1) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(2) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(4) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(5) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(6) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(8) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(9) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(15) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(17) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(18) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(20) atom. In the eighteenth H site, H(19) is bonded in a single-bond geometry to one C(22) atom. In the nineteenth H site, H(20) is bonded in a single-bond geometry to one C(23) atom. In the twentieth H site, H(21) is bonded in a single-bond geometry to one C(27) atom. In the twenty-first H site, H(22) is bonded in a single-bond geometry to one C(28) atom. In the twenty-second H site, H(23) is bonded in a single-bond geometry to one C(30) atom. In the twenty-third H site, H(24) is bonded in a single-bond geometry to one C(33) atom. In the twenty-fourth H site, H(25) is bonded in a single-bond geometry to one C(35) atom. In the twenty-fifth H site, H(26) is bonded in a single-bond geometry to one C(35) atom. In the twenty-sixth H site, H(27) is bonded in a single-bond geometry to one C(35) atom. In the twenty-seventh H site, H(28) is bonded in a single-bond geometry to one C(37) atom. In the twenty-eighth H site, H(29) is bonded in a single-bond geometry to one C(41) atom. In the twenty-ninth H site, H(30) is bonded in a single-bond geometry to one C(42) atom. In the thirtieth H site, H(31) is bonded in a single-bond geometry to one C(43) atom. In the thirty-first H site, H(32) is bonded in a single-bond geometry to one C(44) atom. In the thirty-second H site, H(33) is bonded in a single-bond geometry to one C(46) atom. In the thirty-third H site, H(34) is bonded in a single-bond geometry to one C(47) atom. In the thirty-fourth H site, H(35) is bonded in a single-bond geometry to one C(48) atom. In the thirty-fifth H site, H(36) is bonded in a single-bond geometry to one C(48) atom. In the thirty-sixth H site, H(37) is bonded in a single-bond geometry to one C(48) atom. In the thirty-seventh H site, H(38) is bonded in a single-bond geometry to one C(49) atom. In the thirty-eighth H site, H(39) is bonded in a single-bond geometry to one C(49) atom. In the thirty-ninth H site, H(40) is bonded in a single-bond geometry to one C(49) atom. In the fortieth H site, H(41) is bonded in a single-bond geometry to one C(50) atom. In the forty-first H site, H(42) is bonded in a single-bond geometry to one C(50) atom. In the forty-second H site, H(43) is bonded in a single-bond geometry to one C(50) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Zn(1), one Zn(2), one Zn(3), and one Zn(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one C(16) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(15) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(34) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(38) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(37) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(39) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(14) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(14) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(34) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(32) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Zn(4) and one C(16) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Zn(4) and one C(32) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Zn(4) and one C(39) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one Zn(2) and one C(38) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one C(11) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one C(25) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one C(19) atom. Linkers: 12 [O]C(=O)c1ccc(NC(=O)Nc2ccc(C([O])=O)cc2)cc1. Metal clusters: 16 [Zn]. The MOF has largest included sphere 9.93 A, density 0.86 g/cm3, surface area 4664.50 m2/g, accessible volume 0.67 cm3/g