Zn5C60N8H68(O7Cl)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted trigonal bipyramidal geometry to one N(1), one N(2), one N(3), one N(4), and one O(1) atom. The Zn(1)-N(1) bond length is 2.25 Å. The Zn(1)-N(2) bond length is 2.10 Å. The Zn(1)-N(3) bond length is 2.06 Å. The Zn(1)-N(4) bond length is 2.16 Å. The Zn(1)-O(1) bond length is 1.99 Å. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), one O(6), and one Cl(1) atom to form distorted corner-sharing ZnClO3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. The Zn(2)-O(3) bond length is 1.98 Å. The Zn(2)-O(4) bond length is 2.03 Å. The Zn(2)-O(6) bond length is 2.05 Å. The Zn(2)-Cl(1) bond length is 2.30 Å. In the third Zn site, Zn(3) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form corner-sharing ZnO6 octahedra. Both Zn(3)-O(3) bond lengths are 2.04 Å. Both Zn(3)-O(5) bond lengths are 2.12 Å. Both Zn(3)-O(7) bond lengths are 2.25 Å. There are thirty inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.50 Å. The C(1)-O(1) bond length is 1.30 Å. The C(1)-O(2) bond length is 1.25 Å. In the second 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 1.40 Å. The C(2)-C(7) bond length is 1.40 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(1) atom. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(5) and one H(2) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-H(2) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(8) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-C(8) bond length is 1.50 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one H(3) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-H(3) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one H(4) atom. The C(7)-H(4) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted trigonal non-coplanar geometry to one C(5), one N(2), one H(5), and one H(6) atom. The C(8)-N(2) bond length is 1.49 Å. The C(8)-H(5) bond length is 1.10 Å. The C(8)-H(6) bond length is 1.10 Å. In the ninth C site, C(9) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(7), and one H(8) atom. The C(9)-N(2) bond length is 1.48 Å. The C(9)-H(7) bond length is 1.10 Å. The C(9)-H(8) bond length is 1.10 Å. In the tenth C site, C(10) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(10), and one H(9) atom. The C(10)-N(1) bond length is 1.48 Å. The C(10)-H(10) bond length is 1.10 Å. The C(10)-H(9) bond length is 1.10 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(11), and one H(12) atom. The C(11)-N(1) bond length is 1.48 Å. The C(11)-H(11) bond length is 1.10 Å. The C(11)-H(12) bond length is 1.10 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal non-coplanar geometry to one N(3), one H(13), and one H(14) atom. The C(12)-N(3) bond length is 1.48 Å. The C(12)-H(13) bond length is 1.10 Å. The C(12)-H(14) bond length is 1.10 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal non-coplanar geometry to one C(14), one N(3), one H(15), and one H(16) atom. The C(13)-C(14) bond length is 1.51 Å. The C(13)-N(3) bond length is 1.48 Å. The C(13)-H(15) bond length is 1.10 Å. The C(13)-H(16) bond length is 1.10 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(20) atom. The C(14)-C(15) bond length is 1.41 Å. The C(14)-C(20) bond length is 1.40 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(14), one C(16), and one H(17) atom. The C(15)-C(16) bond length is 1.39 Å. The C(15)-H(17) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(15), one C(18), and one H(18) atom. The C(16)-C(18) bond length is 1.40 Å. The C(16)-H(18) bond length is 1.09 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(18), one O(4), and one O(5) atom. The C(17)-C(18) bond length is 1.50 Å. The C(17)-O(4) bond length is 1.29 Å. The C(17)-O(5) bond length is 1.26 Å. In the eighteenth C site, C(18) is bonded in a trigonal planar geometry to one C(16), one C(17), and one C(19) atom. The C(18)-C(19) bond length is 1.40 Å. In the nineteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(18), one C(20), and one H(19) atom. The C(19)-C(20) bond length is 1.39 Å. The C(19)-H(19) bond length is 1.09 Å. In the twentieth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(14), one C(19), and one H(20) atom. The C(20)-H(20) bond length is 1.09 Å. In the twenty-first C site, C(21) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(21), and one H(22) atom. The C(21)-N(1) bond length is 1.47 Å. The C(21)-H(21) bond length is 1.10 Å. The C(21)-H(22) bond length is 1.10 Å. In the twenty-second C site, C(22) is bonded in a distorted trigonal non-coplanar geometry to one N(4), one H(23), and one H(24) atom. The C(22)-N(4) bond length is 1.47 Å. The C(22)-H(23) bond length is 1.10 Å. The C(22)-H(24) bond length is 1.10 Å. In the twenty-third C site, C(23) is bonded in a distorted trigonal non-coplanar geometry to one C(24), one N(4), one H(25), and one H(26) atom. The C(23)-C(24) bond length is 1.51 Å. The C(23)-N(4) bond length is 1.50 Å. The C(23)-H(25) bond length is 1.10 Å. The C(23)-H(26) bond length is 1.10 Å. In the twenty-fourth C site, C(24) is bonded in a trigonal planar geometry to one C(23), one C(25), and one C(30) atom. The C(24)-C(25) bond length is 1.41 Å. The C(24)-C(30) bond length is 1.40 Å. In the twenty-fifth C site, C(25) is bonded in a distorted single-bond geometry to one C(24), one C(26), and one H(27) atom. The C(25)-C(26) bond length is 1.39 Å. The C(25)-H(27) 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(25), one C(27), and one H(28) atom. The C(26)-C(27) bond length is 1.40 Å. The C(26)-H(28) bond length is 1.09 Å. In the twenty-seventh C site, C(27) is bonded in a trigonal planar geometry to one C(26), one C(28), and one C(29) atom. The C(27)-C(28) bond length is 1.50 Å. The C(27)-C(29) bond length is 1.40 Å. In the twenty-eighth C site, C(28) is bonded in a distorted bent 120 degrees geometry to one C(27), one O(6), and one O(7) atom. The C(28)-O(6) bond length is 1.28 Å. The C(28)-O(7) bond length is 1.27 Å. In the twenty-ninth C site, C(29) is bonded in a distorted single-bond geometry to one C(27), one C(30), and one H(29) atom. The C(29)-C(30) bond length is 1.40 Å. The C(29)-H(29) bond length is 1.09 Å. In the thirtieth C site, C(30) is bonded in a distorted trigonal planar geometry to one C(24), one C(29), and one H(30) atom. The C(30)-H(30) bond length is 1.09 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Zn(1), one C(10), one C(11), and one C(21) atom to form corner-sharing NZnC3 tetrahedra. In the second N site, N(2) is bonded to one Zn(1), one C(8), one C(9), and one H(31) atom to form distorted NZnHC2 tetrahedra that share  a cornercorner with one N(1)ZnC3 tetrahedra and  a cornercorner with one N(3)ZnHC2 tetrahedra. The N(2)-H(31) bond length is 1.03 Å. In the third N site, N(3) is bonded to one Zn(1), one C(12), one C(13), and one H(32) atom to form distorted NZnHC2 tetrahedra that share  a cornercorner with one N(1)ZnC3 tetrahedra and  a cornercorner with one N(2)ZnHC2 tetrahedra. The N(3)-H(32) bond length is 1.03 Å. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to one Zn(1), one C(22), one C(23), and one H(33) atom. The N(4)-H(33) bond length is 1.03 Å. There are thirty-four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(7) 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(8) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(9) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(10) 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(11) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(12) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(12) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(13) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(13) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(15) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(16) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(19) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(20) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(21) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(21) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one C(22) atom. In the twenty-fourth H site, H(24) is bonded in a single-bond geometry to one C(22) atom. In the twenty-fifth H site, H(25) is bonded in a single-bond geometry to one C(23) atom. In the twenty-sixth H site, H(26) is bonded in a single-bond geometry to one C(23) atom. In the twenty-seventh H site, H(27) is bonded in a single-bond geometry to one C(25) atom. In the twenty-eighth H site, H(28) is bonded in a single-bond geometry to one C(26) atom. In the twenty-ninth H site, H(29) is bonded in a single-bond geometry to one C(29) atom. In the thirtieth H site, H(30) is bonded in a single-bond geometry to one C(30) atom. In the thirty-first H site, H(31) is bonded in a single-bond geometry to one N(2) atom. In the thirty-second H site, H(32) is bonded in a single-bond geometry to one N(3) atom. In the thirty-third H site, H(33) is bonded in a single-bond geometry to one N(4) atom. In the thirty-fourth H site, H(34) is bonded in a single-bond geometry to one O(3) atom. The H(34)-O(3) bond length is 0.97 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Zn(2), one Zn(3), and one H(34) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(17) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Zn(3) and one C(17) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Zn(2) and one C(28) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Zn(3) and one C(28) atom. Cl(1) is bonded in a single-bond geometry to one Zn(2) atom. Linkers: 4 [CH]=[C]CNCCN(CCNCc1ccc(C([O])=O)cc1)CCNCc1ccc(C([O])=O)cc1 ,4 [O]C(=O)c1ccc(CNCCN(CCNCc2ccc(C([O])=O)cc2)CCNCc2ccc(C([O])=O)cc2)cc1 ,4 [O]C(=O)c1ccc(CNCCN(CCNCc2ccc([C]=O)cc2)CCNCc2ccc(C([O])=O)cc2)cc1. Metal clusters: 4 [NH][Zn]([NH])([NH])O[C]=O ,2 O[Zn@]1(Cl)O[C]O[Zn]2(O[C]O[Zn@](O)(Cl)O[C]O2)O[C]O1. The MOF has largest included sphere 5.05 A, density 1.52 g/cm3, surface area 4260.05 m2/g, accessible volume 0.20 cm3/g