ZnC11NH12O4 crystallizes in the monoclinic C2 space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(5), and one O(9) atom to form edge-sharing ZnO6 octahedra. The Zn(1)-O(1) bond length is 2.06 Å. The Zn(1)-O(10) bond length is 2.12 Å. The Zn(1)-O(3) bond length is 2.06 Å. The Zn(1)-O(4) bond length is 2.14 Å. The Zn(1)-O(5) bond length is 2.23 Å. The Zn(1)-O(9) bond length is 2.04 Å. In the second Zn site, Zn(2) is bonded to one O(1), one O(11), one O(2), one O(5), one O(6), and one O(7) atom to form edge-sharing ZnO6 octahedra. The Zn(2)-O(1) bond length is 2.06 Å. The Zn(2)-O(11) bond length is 2.12 Å. The Zn(2)-O(2) bond length is 2.06 Å. The Zn(2)-O(5) bond length is 2.13 Å. The Zn(2)-O(6) bond length is 2.23 Å. The Zn(2)-O(7) bond length is 2.04 Å. In the third Zn site, Zn(3) is bonded to one O(12), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form edge-sharing ZnO6 octahedra. The Zn(3)-O(12) bond length is 2.12 Å. The Zn(3)-O(2) bond length is 2.06 Å. The Zn(3)-O(3) bond length is 2.06 Å. The Zn(3)-O(4) bond length is 2.23 Å. The Zn(3)-O(6) bond length is 2.13 Å. The Zn(3)-O(8) bond length is 2.04 Å. There are twenty-three inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(4) and one O(1) atom. The C(1)-C(4) bond length is 1.43 Å. The C(1)-O(1) bond length is 1.33 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(5) and one O(2) atom. The C(2)-C(5) bond length is 1.43 Å. The C(2)-O(2) bond length is 1.33 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(6) and one O(3) atom. The C(3)-C(6) bond length is 1.43 Å. The C(3)-O(3) bond length is 1.33 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(1); one C(19); and one C(7,9) atom. The C(4)-C(19) bond length is 1.49 Å. The C(4)-C(7,9) bond length is 1.41 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(2), one C(20), and one C(8) atom. The C(5)-C(20) bond length is 1.49 Å. The C(5)-C(8) bond length is 1.41 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(21); one C(3); and one C(7,9) atom. The C(6)-C(21) bond length is 1.49 Å. The C(6)-C(7,9) bond length is 1.41 Å. In the seventh C site, C(7,9) is bonded in a distorted single-bond geometry to one C(10,11); one C(4); and one H(1,2) atom. The C(7,9)-C(10,11) bond length is 1.40 Å. The C(7,9)-H(1,2) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(10,11); one C(5); and one H(1,2) atom. The C(8)-C(10,11) bond length is 1.40 Å. The C(8)-H(1,2) bond length is 1.09 Å. In the ninth C site, C(10,11) is bonded in a trigonal planar geometry to one C(10,11); one C(13,15); and one C(7,9) atom. The C(10,11)-C(10,11) bond length is 1.47 Å. The C(10,11)-C(13,15) bond length is 1.41 Å. In the tenth C site, C(12) is bonded in a trigonal planar geometry to one C(10,11); one C(13,15); and one C(7,9) atom. The C(12)-C(10,11) bond length is 1.47 Å. The C(12)-C(13,15) bond length is 1.41 Å. The C(12)-C(7,9) bond length is 1.40 Å. In the eleventh C site, C(13,15) is bonded in a distorted trigonal planar geometry to one C(10,11); one C(16,17); and one H(4,5) atom. The C(13,15)-C(16,17) bond length is 1.38 Å. The C(13,15)-H(4,5) bond length is 1.09 Å. In the twelfth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(10,11); one C(16,17); and one H(4,5) atom. The C(14)-C(10,11) bond length is 1.41 Å. The C(14)-C(16,17) bond length is 1.38 Å. The C(14)-H(4,5) bond length is 1.09 Å. In the thirteenth C site, C(16,17) is bonded in a distorted single-bond geometry to one C(13,15) and one H(7,9) atom. The C(16,17)-H(7,9) bond length is 1.09 Å. In the fourteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(13,15) and one H(7,9) atom. The C(18)-C(13,15) bond length is 1.38 Å. The C(18)-H(7,9) bond length is 1.09 Å. In the fifteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(4), and one O(7) atom. The C(19)-O(4) bond length is 1.28 Å. The C(19)-O(7) bond length is 1.28 Å. In the sixteenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(5), and one O(8) atom. The C(20)-O(5) bond length is 1.28 Å. The C(20)-O(8) bond length is 1.28 Å. In the seventeenth C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(6), and one O(9) atom. The C(21)-O(6) bond length is 1.28 Å. The C(21)-O(9) bond length is 1.28 Å. In the eighteenth C site, C(22,23) is bonded in a distorted trigonal planar geometry to one C(25,26); one N(1,2); and one O(10) atom. The C(22,23)-C(25,26) bond length is 1.51 Å. The C(22,23)-N(1,2) bond length is 1.35 Å. The C(22,23)-O(10) bond length is 1.26 Å. In the nineteenth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(27), one N(3), and one O(12) atom. The C(24)-C(27) bond length is 1.51 Å. The C(24)-N(3) bond length is 1.35 Å. The C(24)-O(12) bond length is 1.26 Å. In the twentieth C site, C(25,26) is bonded in a trigonal non-coplanar geometry to one C(22,23); one H(10,11,12); one H(13,14,15); and one H(16,17,18) atom. The C(25,26)-H(10,11,12) bond length is 1.09 Å. The C(25,26)-H(13,14,15) bond length is 1.10 Å. The C(25,26)-H(16,17,18) bond length is 1.10 Å. In the twenty-first C site, C(27) is bonded in a trigonal non-coplanar geometry to one C(24); one H(10,11,12); one H(13,14,15); and one H(16,17,18) atom. The C(27)-H(10,11,12) bond length is 1.09 Å. The C(27)-H(13,14,15) bond length is 1.10 Å. The C(27)-H(16,17,18) bond length is 1.10 Å. In the twenty-second C site, C(28,29,30) is bonded to one N(1,2); one H(19,20); one H(22); and one H(25,26) atom to form corner-sharing CH3N tetrahedra. The C(28,29,30)-N(1,2) bond length is 1.46 Å. The C(28,29,30)-H(19,20) bond length is 1.09 Å. The C(28,29,30)-H(22) bond length is 1.10 Å. The C(28,29,30)-H(25,26) bond length is 1.10 Å. In the twenty-third C site, C(31,32,33) is bonded to one N(1,2); one H(28,29); one H(31,32); and one H(34,35) atom to form corner-sharing CH3N tetrahedra. The C(31,32,33)-N(1,2) bond length is 1.46 Å. The C(31,32,33)-H(28,29) bond length is 1.10 Å. The C(31,32,33)-H(31,32) bond length is 1.10 Å. The C(31,32,33)-H(34,35) bond length is 1.10 Å. There are two inequivalent N sites. In the first N site, N(1,2) is bonded in a trigonal planar geometry to one C(22,23); one C(28,29,30); and one C(31,32,33) atom. In the second N site, N(3) is bonded in a trigonal planar geometry to one C(24); one C(28,29,30); and one C(31,32,33) atom. The N(3)-C(28,29,30) bond length is 1.46 Å. The N(3)-C(31,32,33) bond length is 1.46 Å. There are twenty inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(7,9) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(7,9) atom. The H(3)-C(7,9) bond length is 1.09 Å. In the third H site, H(4,5) is bonded in a single-bond geometry to one C(13,15) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(13,15) atom. The H(6)-C(13,15) bond length is 1.09 Å. In the fifth H site, H(7,9) is bonded in a single-bond geometry to one C(16,17) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(16,17) atom. The H(8)-C(16,17) bond length is 1.09 Å. In the seventh H site, H(10,11,12) is bonded in a single-bond geometry to one C(25,26) atom. In the eighth H site, H(13,14,15) is bonded in a single-bond geometry to one C(25,26) atom. In the ninth H site, H(16,17,18) is bonded in a single-bond geometry to one C(25,26) atom. In the tenth H site, H(19,20) is bonded in a single-bond geometry to one C(28,29,30) atom. In the eleventh H site, H(21,23,24) is bonded in a single-bond geometry to one C(28,29,30) atom. The H(21,23,24)-C(28,29,30) bond length is 1.09 Å. In the twelfth H site, H(22) is bonded in a single-bond geometry to one C(28,29,30) atom. In the thirteenth H site, H(25,26) is bonded in a single-bond geometry to one C(28,29,30) atom. In the fourteenth H site, H(27) is bonded in a single-bond geometry to one C(28,29,30) atom. The H(27)-C(28,29,30) bond length is 1.10 Å. In the fifteenth H site, H(28,29) is bonded in a single-bond geometry to one C(31,32,33) atom. In the sixteenth H site, H(30) is bonded in a single-bond geometry to one C(31,32,33) atom. The H(30)-C(31,32,33) bond length is 1.10 Å. In the seventeenth H site, H(31,32) is bonded in a single-bond geometry to one C(31,32,33) atom. In the eighteenth H site, H(33) is bonded in a single-bond geometry to one C(31,32,33) atom. The H(33)-C(31,32,33) bond length is 1.10 Å. In the nineteenth H site, H(34,35) is bonded in a single-bond geometry to one C(31,32,33) atom. In the twentieth H site, H(36) is bonded in a single-bond geometry to one C(31,32,33) atom. The H(36)-C(31,32,33) bond length is 1.10 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Zn(2), one Zn(3), and one C(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(3), and one C(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Zn(1), one Zn(3), and one C(19) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Zn(1), one Zn(2), and one C(20) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Zn(2), one Zn(3), and one C(21) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(19) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(20) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(21) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one C(22,23) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one C(22,23) atom. The O(11)-C(22,23) bond length is 1.26 Å. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Zn(3) and one C(24) atom. Linkers: 3 [O]C(=O)c1cc(-c2ccc([O])c(C([O])=O)c2)ccc1[O]. Metal clusters: 6 [Zn]. The MOF has largest included sphere 12.61 A, density 1.05 g/cm3, surface area 4125.04 m2/g, accessible volume 0.54 cm3/g