Co6C78N4H70O33(CH)4 crystallizes in the monoclinic C2/c space group. The structure consists of sixteen 02329_fluka molecules inside a Co6C78N4H70O33 framework. In the Co6C78N4H70O33 framework, there are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(14), one O(4), one O(6), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 76°. The Co(1)-O(1) bond length is 2.02 Å. The Co(1)-O(14) bond length is 2.04 Å. The Co(1)-O(4) bond length is 2.17 Å. The Co(1)-O(6) bond length is 2.00 Å. There is one shorter (2.11 Å) and one longer (2.16 Å) Co(1)-O(9) bond length. In the second Co site, Co(2) is bonded to one O(13), one O(14), one O(16), one O(17), one O(2), and one O(7) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 76°. The Co(2)-O(13) bond length is 2.01 Å. The Co(2)-O(14) bond length is 2.09 Å. The Co(2)-O(16) bond length is 2.14 Å. The Co(2)-O(17) bond length is 2.23 Å. The Co(2)-O(2) bond length is 2.02 Å. The Co(2)-O(7) bond length is 2.02 Å. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(15), one O(4), and one O(5) atom. The Co(3)-O(10) bond length is 2.06 Å. The Co(3)-O(12) bond length is 2.01 Å. The Co(3)-O(14) bond length is 2.03 Å. The Co(3)-O(15) bond length is 2.33 Å. The Co(3)-O(4) bond length is 2.44 Å. The Co(3)-O(5) bond length is 2.03 Å. There are thirty-nine 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 1.27 Å. The C(1)-O(2) bond length is 1.28 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(4) atom. The C(3)-H(4) bond length is 1.09 Å. In the fourth C site, C(5) is bonded in a distorted single-bond geometry to one C(6) and one O(3) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-O(3) bond length is 1.40 Å. In the fifth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one H(6) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-H(6) bond length is 1.09 Å. In the sixth C site, C(7) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one H(7) atom. The C(7)-H(7) bond length is 1.09 Å. In the seventh C site, C(8) is bonded in a bent 120 degrees geometry to one C(9), one O(4), and one O(5) atom. The C(8)-C(9) bond length is 1.48 Å. The C(8)-O(4) bond length is 1.28 Å. The C(8)-O(5) bond length is 1.28 Å. In the eighth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(8) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-C(14) bond length is 1.40 Å. In the ninth C site, C(10) is bonded in a distorted single-bond geometry to one C(9) and one H(8) atom. The C(10)-H(8) bond length is 1.09 Å. In the tenth C site, C(12) is bonded in a distorted single-bond geometry to one C(13) and one O(3) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-O(3) bond length is 1.38 Å. In the eleventh C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one C(14), and one H(10) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-H(10) bond length is 1.09 Å. In the twelfth C site, C(14) is bonded in a distorted single-bond geometry to one C(13), one C(9), and one H(11) atom. The C(14)-H(11) bond length is 1.09 Å. In the thirteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(6), and one O(7) atom. The C(15)-C(16) bond length is 1.49 Å. The C(15)-O(6) bond length is 1.28 Å. The C(15)-O(7) bond length is 1.27 Å. In the fourteenth C site, C(16) is bonded in a trigonal planar geometry to one C(15), one C(17), and one C(21) atom. The C(16)-C(17) bond length is 1.40 Å. The C(16)-C(21) bond length is 1.40 Å. In the fifteenth C site, C(17) is bonded in a distorted single-bond geometry to one C(16), one C(18), and one H(12) atom. The C(17)-C(18) bond length is 1.39 Å. The C(17)-H(12) bond length is 1.09 Å. In the sixteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(17), one C(19), and one H(13) atom. The C(18)-C(19) bond length is 1.40 Å. The C(18)-H(13) bond length is 1.09 Å. In the seventeenth C site, C(19) is bonded in a distorted single-bond geometry to one C(18) and one O(8) atom. The C(19)-O(8) bond length is 1.39 Å. In the eighteenth C site, C(20) is bonded in a distorted single-bond geometry to one C(21) and one H(14) atom. The C(20)-C(21) bond length is 1.39 Å. The C(20)-H(14) bond length is 1.09 Å. In the nineteenth C site, C(21) is bonded in a distorted trigonal planar geometry to one C(16), one C(20), and one H(15) atom. The C(21)-H(15) bond length is 1.09 Å. In the twentieth C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(23), one O(10), and one O(9) atom. The C(22)-C(23) bond length is 1.49 Å. The C(22)-O(10) bond length is 1.27 Å. The C(22)-O(9) bond length is 1.29 Å. In the twenty-first C site, C(23) is bonded in a trigonal planar geometry to one C(22), 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 1.41 Å. In the twenty-second C site, C(24) is bonded in a distorted single-bond geometry to one C(23), one C(25), and one H(16) atom. The C(24)-C(25) bond length is 1.40 Å. The C(24)-H(16) bond length is 1.09 Å. In the twenty-third C site, C(25) is bonded in a distorted trigonal planar geometry to one C(24), one C(26), and one H(17) atom. The C(25)-C(26) bond length is 1.39 Å. The C(25)-H(17) bond length is 1.09 Å. In the twenty-fourth C site, C(26) is bonded in a distorted single-bond geometry to one C(25), one C(27), and one O(11) atom. The C(26)-C(27) bond length is 1.40 Å. The C(26)-O(11) bond length is 1.40 Å. In the twenty-fifth C site, C(27) is bonded in a distorted trigonal planar geometry to one C(26), one C(28), and one H(18) atom. The C(27)-C(28) bond length is 1.39 Å. The C(27)-H(18) bond length is 1.09 Å. In the twenty-sixth C site, C(28) is bonded in a distorted single-bond geometry to one C(23), one C(27), and one H(19) atom. The C(28)-H(19) bond length is 1.09 Å. In the twenty-seventh C site, C(29) is bonded in a distorted bent 120 degrees geometry to one C(30), one O(12), and one O(13) atom. The C(29)-C(30) bond length is 1.49 Å. The C(29)-O(12) bond length is 1.28 Å. The C(29)-O(13) bond length is 1.27 Å. In the twenty-eighth 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 1.40 Å. The C(30)-C(35) bond length is 1.41 Å. In the twenty-ninth C site, C(31) is bonded in a distorted trigonal planar geometry to one C(30), one C(32), and one H(20) atom. The C(31)-C(32) bond length is 1.39 Å. The C(31)-H(20) bond length is 1.09 Å. In the thirtieth C site, C(32) is bonded in a distorted single-bond geometry to one C(31) and one H(21) atom. The C(32)-H(21) bond length is 1.09 Å. In the thirty-first C site, C(33) is bonded in a distorted single-bond geometry to one C(34) and one O(11) atom. The C(33)-C(34) bond length is 1.40 Å. The C(33)-O(11) bond length is 1.38 Å. In the thirty-second C site, C(34) is bonded in a distorted trigonal planar geometry to one C(33), one C(35), and one H(22) atom. The C(34)-C(35) bond length is 1.39 Å. The C(34)-H(22) bond length is 1.09 Å. In the thirty-third C site, C(35) is bonded in a distorted trigonal planar geometry to one C(30), one C(34), and one H(23) atom. The C(35)-H(23) bond length is 1.09 Å. In the thirty-fourth C site, C(36) is bonded in a trigonal planar geometry to one N(1), one H(24), and one O(16) atom. The C(36)-N(1) bond length is 1.34 Å. The C(36)-H(24) bond length is 1.10 Å. The C(36)-O(16) bond length is 1.25 Å. In the thirty-fifth C site, C(37) is bonded to one N(1), one H(25), one H(26), and one H(27) atom to form corner-sharing CH3N tetrahedra. The C(37)-N(1) bond length is 1.46 Å. The C(37)-H(25) bond length is 1.09 Å. The C(37)-H(26) bond length is 1.09 Å. The C(37)-H(27) bond length is 1.10 Å. In the thirty-sixth C site, C(38) is bonded to one N(1), one H(28), one H(29), and one H(30) atom to form corner-sharing CH3N tetrahedra. The C(38)-N(1) bond length is 1.45 Å. The C(38)-H(28) bond length is 1.10 Å. The C(38)-H(29) bond length is 1.10 Å. The C(38)-H(30) bond length is 1.10 Å. In the thirty-seventh C site, C(39) is bonded in a trigonal planar geometry to one N(2), one H(31), and one O(17) atom. The C(39)-N(2) bond length is 1.33 Å. The C(39)-H(31) bond length is 1.10 Å. The C(39)-O(17) bond length is 1.26 Å. In the thirty-eighth C site, C(40) is bonded to one N(2), one H(32), one H(33), and one H(34) atom to form corner-sharing CH3N tetrahedra. The C(40)-N(2) bond length is 1.46 Å. The C(40)-H(32) bond length is 1.09 Å. The C(40)-H(33) bond length is 1.10 Å. The C(40)-H(34) bond length is 1.10 Å. In the thirty-ninth C site, C(41) is bonded to one N(2), one H(35), one H(36), and one H(37) atom to form corner-sharing CH3N tetrahedra. The C(41)-N(2) bond length is 1.45 Å. The C(41)-H(35) bond length is 1.09 Å. The C(41)-H(36) bond length is 1.10 Å. The C(41)-H(37) bond length is 1.10 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(36), one C(37), and one C(38) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(39), one C(40), and one C(41) atom. There are thirty-five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(14) atom. The H(1)-O(14) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(15) atom. The H(2)-O(15) bond length is 0.97 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(15) and one O(17) atom. The H(3)-O(15) bond length is 0.99 Å. The H(3)-O(17) bond length is 1.70 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(3) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(13) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(14) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one C(17) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one C(18) atom. In the twelfth H site, H(14) is bonded in a single-bond geometry to one C(20) atom. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one C(21) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one C(24) atom. In the fifteenth H site, H(17) is bonded in a single-bond geometry to one C(25) atom. In the sixteenth H site, H(18) is bonded in a single-bond geometry to one C(27) atom. In the seventeenth H site, H(19) is bonded in a single-bond geometry to one C(28) atom. In the eighteenth H site, H(20) is bonded in a single-bond geometry to one C(31) atom. In the nineteenth H site, H(21) is bonded in a single-bond geometry to one C(32) atom. In the twentieth H site, H(22) is bonded in a single-bond geometry to one C(34) atom. In the twenty-first H site, H(23) is bonded in a single-bond geometry to one C(35) atom. In the twenty-second H site, H(24) is bonded in a single-bond geometry to one C(36) atom. In the twenty-third H site, H(25) is bonded in a single-bond geometry to one C(37) atom. In the twenty-fourth H site, H(26) is bonded in a single-bond geometry to one C(37) atom. In the twenty-fifth H site, H(27) is bonded in a single-bond geometry to one C(37) atom. In the twenty-sixth H site, H(28) is bonded in a single-bond geometry to one C(38) atom. In the twenty-seventh H site, H(29) is bonded in a single-bond geometry to one C(38) atom. In the twenty-eighth H site, H(30) is bonded in a single-bond geometry to one C(38) atom. In the twenty-ninth H site, H(31) is bonded in a single-bond geometry to one C(39) atom. In the thirtieth H site, H(32) is bonded in a single-bond geometry to one C(40) atom. In the thirty-first H site, H(33) is bonded in a single-bond geometry to one C(40) atom. In the thirty-second H site, H(34) is bonded in a single-bond geometry to one C(40) atom. In the thirty-third H site, H(35) is bonded in a single-bond geometry to one C(41) atom. In the thirty-fourth H site, H(36) is bonded in a single-bond geometry to one C(41) atom. In the thirty-fifth H site, H(37) is bonded in a single-bond geometry to one C(41) atom. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Co(2) and one C(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one C(12) and one C(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Co(1), one Co(3), and one C(8) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Co(3) and one C(8) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(1) and one C(15) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one C(15) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to two equivalent C(19) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one C(22) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Co(3) and one C(22) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one C(26) and one C(33) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Co(3) and one C(29) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Co(2) and one C(29) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Co(1), one Co(2), one Co(3), and one H(1) atom. In the fifteenth O site, O(15) is bonded in a distorted water-like geometry to one Co(3), one H(2), and one H(3) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Co(2) and one C(36) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Co(2), one C(39), and one H(3) atom. Linkers: 10 [O]C(=O)c1ccc(Oc2ccc(C([O])=O)cc2)cc1. Metal clusters: 12 [Co]. The MOF has largest included sphere 5.65 A, density 1.21 g/cm3, surface area 4267.40 m2/g, accessible volume 0.38 cm3/g