Mo5Ni2C42P2N21H42O17H7(C2N)3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure consists of four H7(C2N)3 clusters inside a Mo5Ni2C42P2N21H42O17 framework. In each H7(C2N)3 cluster, there are six inequivalent C sites. In the first C site, C(18) is bonded in a distorted single-bond geometry to one C(19) and one H(18) atom. The C(18)-C(19) bond length is 1.43 Å. The C(18)-H(18) bond length is 0.93 Å. In the second C site, C(19) is bonded in a trigonal planar geometry to one C(18), one C(20), and one C(22) atom. The C(19)-C(20) bond length is 1.35 Å. The C(19)-C(22) bond length is 1.48 Å. In the third C site, C(20) is bonded in a distorted single-bond geometry to one C(19) and one H(19) atom. The C(20)-H(19) bond length is 0.93 Å. In the fourth C site, C(22) is bonded in a 3-coordinate geometry to one C(19); one N(12); and two equivalent H(21,22) atoms. The C(22)-N(12) bond length is 1.47 Å. Both C(22)-H(21,22) bond lengths are 0.97 Å. In the fifth C site, C(23) is bonded in a trigonal planar geometry to one N(10), one N(11), and one H(23) atom. The C(23)-N(10) bond length is 1.31 Å. The C(23)-N(11) bond length is 1.28 Å. The C(23)-H(23) bond length is 0.93 Å. In the sixth C site, C(24) is bonded in a trigonal planar geometry to one N(10), one N(12), and one H(24) atom. The C(24)-N(10) bond length is 1.27 Å. The C(24)-N(12) bond length is 1.31 Å. The C(24)-H(24) bond length is 0.93 Å. There are three inequivalent N sites. In the first N site, N(10) is bonded in a distorted trigonal planar geometry to one C(23), one C(24), and one H(49) atom. The N(10)-H(49) bond length is 0.86 Å. In the second N site, N(11) is bonded in a distorted single-bond geometry to one C(23) atom. In the third N site, N(12) is bonded in a 2-coordinate geometry to one C(22) and one C(24) atom. There are six inequivalent H sites. In the first H site, H(23) is bonded in a single-bond geometry to one C(23) atom. In the second H site, H(24) is bonded in a single-bond geometry to one C(24) atom. In the third H site, H(49) is bonded in a single-bond geometry to one N(10) atom. In the fourth H site, H(18) is bonded in a single-bond geometry to one C(18) atom. In the fifth H site, H(19) is bonded in a single-bond geometry to one C(20) atom. In the sixth H site, H(21,22) is bonded in a single-bond geometry to one C(22) atom. In the Mo5Ni2C42P2N21H42O17 framework, there are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. The Mo(1)-O(1) bond length is 1.72 Å. The Mo(1)-O(2) bond length is 1.92 Å. The Mo(1)-O(3) bond length is 1.89 Å. The Mo(1)-O(4) bond length is 2.47 Å. The Mo(1)-O(5) bond length is 2.19 Å. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(6), and one O(7) atom. The Mo(2)-O(3) bond length is 1.94 Å. The Mo(2)-O(4) bond length is 2.38 Å. The Mo(2)-O(6) bond length is 1.91 Å. The Mo(2)-O(7) bond length is 2.27 Å. In the third Mo site, Mo(3) is bonded in a 5-coordinate geometry to one O(11), one O(6), one O(7), one O(8), and one O(9) atom. The Mo(3)-O(11) bond length is 2.19 Å. The Mo(3)-O(6) bond length is 1.92 Å. The Mo(3)-O(7) bond length is 2.35 Å. The Mo(3)-O(8) bond length is 1.72 Å. The Mo(3)-O(9) bond length is 1.90 Å. In the fourth Mo site, Mo(4) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(13), one O(14), and one O(9) atom. The Mo(4)-O(10) bond length is 1.72 Å. The Mo(4)-O(11) bond length is 2.44 Å. The Mo(4)-O(13) bond length is 2.23 Å. The Mo(4)-O(14) bond length is 1.90 Å. The Mo(4)-O(9) bond length is 1.89 Å. In the fifth Mo site, Mo(5) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(15), one O(2), and one O(5) atom. The Mo(5)-O(12) bond length is 2.17 Å. The Mo(5)-O(14) bond length is 1.86 Å. The Mo(5)-O(15) bond length is 1.72 Å. The Mo(5)-O(2) bond length is 1.93 Å. The Mo(5)-O(5) bond length is 2.44 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square pyramidal geometry to one N(1), one N(16), one N(7), one O(1), and one O(10) atom. The Ni(1)-N(1) bond length is 2.07 Å. The Ni(1)-N(16) bond length is 2.08 Å. The Ni(1)-N(7) bond length is 2.11 Å. The Ni(1)-O(1) bond length is 2.08 Å. The Ni(1)-O(10) bond length is 2.05 Å. In the second Ni site, Ni(2) is bonded in an octahedral geometry to one N(13), one N(19), one N(22), one N(4), one O(15), and one O(8) atom. The Ni(2)-N(13) bond length is 2.10 Å. The Ni(2)-N(19) bond length is 2.08 Å. The Ni(2)-N(22) bond length is 2.10 Å. The Ni(2)-N(4) bond length is 2.04 Å. The Ni(2)-O(15) bond length is 2.07 Å. The Ni(2)-O(8) bond length is 2.07 Å. There are forty-two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(1) atom. The C(1)-N(1) bond length is 1.31 Å. The C(1)-N(2) bond length is 1.31 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(2) atom. The C(2)-N(1) bond length is 1.31 Å. The C(2)-N(3) bond length is 1.29 Å. The C(2)-H(2) bond length is 0.93 Å. In the third C site, C(3) is bonded in a 3-coordinate geometry to one C(4); one N(3); and two equivalent H(3,4) atoms. The C(3)-C(4) bond length is 1.49 Å. The C(3)-N(3) bond length is 1.49 Å. Both C(3)-H(3,4) bond lengths are 0.97 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(9) atom. The C(4)-C(5) bond length is 1.35 Å. The C(4)-C(9) bond length is 1.33 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one H(5) atom. The C(5)-H(5) bond length is 0.93 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(7) and one H(6) atom. The C(6)-C(7) bond length is 1.41 Å. The C(6)-H(6) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(10), one C(6), and one C(8) atom. The C(7)-C(10) bond length is 1.52 Å. The C(7)-C(8) bond length is 1.37 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(7) and one H(7) atom. The C(8)-H(7) bond length is 0.93 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(4) and one H(8) atom. The C(9)-H(8) bond length is 0.93 Å. In the tenth C site, C(10) is bonded in a 3-coordinate geometry to one C(7), one N(6), one H(10), and one H(9) atom. The C(10)-N(6) bond length is 1.50 Å. The C(10)-H(10) bond length is 0.97 Å. The C(10)-H(9) bond length is 0.97 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one N(4), one N(5), and one H(11) atom. The C(11)-N(4) bond length is 1.34 Å. The C(11)-N(5) bond length is 1.31 Å. The C(11)-H(11) bond length is 0.93 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one N(4), one N(6), and one H(12) atom. The C(12)-N(4) bond length is 1.32 Å. The C(12)-N(6) bond length is 1.31 Å. The C(12)-H(12) bond length is 0.93 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one N(7), one N(9), and one H(13) atom. The C(13)-N(7) bond length is 1.31 Å. The C(13)-N(9) bond length is 1.33 Å. The C(13)-H(13) bond length is 0.93 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one N(7), one N(8), and one H(14) atom. The C(14)-N(7) bond length is 1.33 Å. The C(14)-N(8) bond length is 1.33 Å. The C(14)-H(14) bond length is 0.93 Å. In the fifteenth C site, C(15) is bonded in a 3-coordinate geometry to one C(16); one N(9); and two equivalent H(15,16) atoms. The C(15)-C(16) bond length is 1.48 Å. The C(15)-N(9) bond length is 1.48 Å. Both C(15)-H(15,16) bond lengths are 0.97 Å. In the sixteenth 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 1.42 Å. The C(16)-C(21) bond length is 1.40 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(16) and one H(17) atom. The C(17)-H(17) bond length is 0.93 Å. In the eighteenth C site, C(21) is bonded in a distorted single-bond geometry to one C(16) and one H(20) atom. The C(21)-H(20) bond length is 0.93 Å. In the nineteenth C site, C(25) is bonded in a trigonal planar geometry to one N(13), one N(15), and one H(25) atom. The C(25)-N(13) bond length is 1.28 Å. The C(25)-N(15) bond length is 1.35 Å. The C(25)-H(25) bond length is 0.93 Å. In the twentieth C site, C(26) is bonded in a trigonal planar geometry to one N(13), one N(14), and one H(26) atom. The C(26)-N(13) bond length is 1.38 Å. The C(26)-N(14) bond length is 1.32 Å. The C(26)-H(26) bond length is 0.93 Å. In the twenty-first C site, C(27) is bonded in a 3-coordinate geometry to one C(28); one N(15); and two equivalent H(27,28) atoms. The C(27)-C(28) bond length is 1.48 Å. The C(27)-N(15) bond length is 1.46 Å. Both C(27)-H(27,28) bond lengths are 0.97 Å. In the twenty-second C site, C(28) is bonded in a trigonal planar geometry to one C(27), one C(29), and one C(33) atom. The C(28)-C(29) bond length is 1.33 Å. The C(28)-C(33) bond length is 1.35 Å. In the twenty-third C site, C(29) is bonded in a distorted single-bond geometry to one C(28) and one H(29) atom. The C(29)-H(29) bond length is 0.93 Å. In the twenty-fourth C site, C(30) is bonded in a distorted single-bond geometry to one C(31) and one H(30) atom. The C(30)-C(31) bond length is 1.31 Å. The C(30)-H(30) bond length is 0.93 Å. In the twenty-fifth C site, C(31) is bonded in a trigonal planar geometry to one C(30), one C(32), and one C(34) atom. The C(31)-C(32) bond length is 1.34 Å. The C(31)-C(34) bond length is 1.51 Å. In the twenty-sixth C site, C(32) is bonded in a distorted single-bond geometry to one C(31) and one H(31) atom. The C(32)-H(31) bond length is 0.93 Å. In the twenty-seventh C site, C(33) is bonded in a distorted single-bond geometry to one C(28) and one H(32) atom. The C(33)-H(32) bond length is 0.93 Å. In the twenty-eighth C site, C(34) is bonded in a 3-coordinate geometry to one C(31), one N(18), one H(33), and one H(34) atom. The C(34)-N(18) bond length is 1.50 Å. The C(34)-H(33) bond length is 0.97 Å. The C(34)-H(34) bond length is 0.97 Å. In the twenty-ninth C site, C(35) is bonded in a trigonal planar geometry to one N(16), one N(18), and one H(35) atom. The C(35)-N(16) bond length is 1.33 Å. The C(35)-N(18) bond length is 1.37 Å. The C(35)-H(35) bond length is 0.93 Å. In the thirtieth C site, C(36) is bonded in a trigonal planar geometry to one N(16), one N(17), and one H(36) atom. The C(36)-N(16) bond length is 1.34 Å. The C(36)-N(17) bond length is 1.29 Å. The C(36)-H(36) bond length is 0.93 Å. In the thirty-first C site, C(37) is bonded in a trigonal planar geometry to one N(19), one N(20), and one H(37) atom. The C(37)-N(19) bond length is 1.32 Å. The C(37)-N(20) bond length is 1.31 Å. The C(37)-H(37) bond length is 0.93 Å. In the thirty-second C site, C(38) is bonded in a trigonal planar geometry to one N(19), one N(21), and one H(38) atom. The C(38)-N(19) bond length is 1.35 Å. The C(38)-N(21) bond length is 1.27 Å. The C(38)-H(38) bond length is 0.93 Å. In the thirty-third C site, C(39) is bonded in a 3-coordinate geometry to one C(40); one N(21); and two equivalent H(39,40) atoms. The C(39)-C(40) bond length is 1.53 Å. The C(39)-N(21) bond length is 1.46 Å. Both C(39)-H(39,40) bond lengths are 0.97 Å. In the thirty-fourth C site, C(40) is bonded in a trigonal planar geometry to one C(39), one C(41), and one C(45) atom. The C(40)-C(41) bond length is 1.33 Å. The C(40)-C(45) bond length is 1.40 Å. In the thirty-fifth C site, C(41) is bonded in a distorted single-bond geometry to one C(40) and one H(41) atom. The C(41)-H(41) bond length is 0.93 Å. In the thirty-sixth C site, C(42) is bonded in a distorted single-bond geometry to one C(43) and one H(42) atom. The C(42)-C(43) bond length is 1.40 Å. The C(42)-H(42) bond length is 0.93 Å. In the thirty-seventh C site, C(43) is bonded in a trigonal planar geometry to one C(42), one C(44), and one C(46) atom. The C(43)-C(44) bond length is 1.37 Å. The C(43)-C(46) bond length is 1.47 Å. In the thirty-eighth C site, C(44) is bonded in a distorted single-bond geometry to one C(43) and one H(43) atom. The C(44)-H(43) bond length is 0.93 Å. In the thirty-ninth C site, C(45) is bonded in a distorted single-bond geometry to one C(40) and one H(44) atom. The C(45)-H(44) bond length is 0.93 Å. In the fortieth C site, C(46) is bonded in a 3-coordinate geometry to one C(43); one N(24); and two equivalent H(45,46) atoms. The C(46)-N(24) bond length is 1.47 Å. Both C(46)-H(45,46) bond lengths are 0.97 Å. In the forty-first C site, C(47) is bonded in a trigonal planar geometry to one N(22), one N(24), and one H(47) atom. The C(47)-N(22) bond length is 1.36 Å. The C(47)-N(24) bond length is 1.31 Å. The C(47)-H(47) bond length is 0.93 Å. In the forty-second C site, C(48) is bonded in a trigonal planar geometry to one N(22), one N(23), and one H(48) atom. The C(48)-N(22) bond length is 1.35 Å. The C(48)-N(23) bond length is 1.34 Å. The C(48)-H(48) bond length is 0.93 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(13), one O(17), one O(5), and one O(7) atom. The P(1)-O(13) bond length is 1.49 Å. The P(1)-O(17) bond length is 1.55 Å. The P(1)-O(5) bond length is 1.53 Å. The P(1)-O(7) bond length is 1.53 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(11), one O(12), one O(16), and one O(4) atom. The P(2)-O(11) bond length is 1.51 Å. The P(2)-O(12) bond length is 1.54 Å. The P(2)-O(16) bond length is 1.53 Å. The P(2)-O(4) bond length is 1.52 Å. There are twenty-one inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Ni(1), one C(1), and one C(2) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one C(1) and one N(3) atom. The N(2)-N(3) bond length is 1.36 Å. In the third N site, N(3) is bonded in a 2-coordinate geometry to one C(2), one C(3), and one N(2) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Ni(2), one C(11), and one C(12) atom. In the fifth N site, N(5) is bonded in a distorted water-like geometry to one C(11) and one N(6) atom. The N(5)-N(6) bond length is 1.33 Å. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one C(10), one C(12), and one N(5) atom. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Ni(1), one C(13), and one C(14) atom. In the eighth N site, N(8) is bonded in a distorted water-like geometry to one C(14) and one N(9) atom. The N(8)-N(9) bond length is 1.31 Å. In the ninth N site, N(9) is bonded in a distorted trigonal planar geometry to one C(13), one C(15), and one N(8) atom. In the tenth N site, N(13) is bonded in a trigonal planar geometry to one Ni(2), one C(25), and one C(26) atom. In the eleventh N site, N(14) is bonded in a distorted water-like geometry to one C(26) and one N(15) atom. The N(14)-N(15) bond length is 1.34 Å. In the twelfth N site, N(15) is bonded in a 3-coordinate geometry to one C(25), one C(27), and one N(14) atom. In the thirteenth N site, N(16) is bonded in a distorted trigonal planar geometry to one Ni(1), one C(35), and one C(36) atom. In the fourteenth N site, N(17) is bonded in a distorted water-like geometry to one C(36) and one N(18) atom. The N(17)-N(18) bond length is 1.35 Å. In the fifteenth N site, N(18) is bonded in a 2-coordinate geometry to one C(34), one C(35), and one N(17) atom. In the sixteenth N site, N(19) is bonded in a distorted trigonal planar geometry to one Ni(2), one C(37), and one C(38) atom. In the seventeenth N site, N(20) is bonded in a distorted water-like geometry to one C(37) and one N(21) atom. The N(20)-N(21) bond length is 1.38 Å. In the eighteenth N site, N(21) is bonded in a distorted trigonal planar geometry to one C(38), one C(39), and one N(20) atom. In the nineteenth N site, N(22) is bonded in a trigonal planar geometry to one Ni(2), one C(47), and one C(48) atom. In the twentieth N site, N(23) is bonded in a water-like geometry to one C(48) and one N(24) atom. The N(23)-N(24) bond length is 1.33 Å. In the twenty-first N site, N(24) is bonded in a distorted trigonal planar geometry to one C(46), one C(47), and one N(23) atom. There are thirty-seven 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(2) atom. In the third H site, H(3,4) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(5) 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(8) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(10) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(10) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(11) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(12) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(13) atom. In the thirteenth H site, H(14) is bonded in a single-bond geometry to one C(14) atom. In the fourteenth H site, H(15,16) is bonded in a single-bond geometry to one C(15) atom. In the fifteenth H site, H(17) is bonded in a single-bond geometry to one C(17) atom. In the sixteenth H site, H(20) is bonded in a single-bond geometry to one C(21) atom. In the seventeenth H site, H(25) is bonded in a single-bond geometry to one C(25) atom. In the eighteenth H site, H(26) is bonded in a single-bond geometry to one C(26) atom. In the nineteenth H site, H(27,28) is bonded in a single-bond geometry to one C(27) atom. In the twentieth H site, H(29) is bonded in a single-bond geometry to one C(29) atom. In the twenty-first H site, H(30) is bonded in a single-bond geometry to one C(30) atom. In the twenty-second H site, H(31) is bonded in a single-bond geometry to one C(32) atom. In the twenty-third H site, H(32) is bonded in a single-bond geometry to one C(33) atom. In the twenty-fourth H site, H(33) is bonded in a single-bond geometry to one C(34) atom. In the twenty-fifth H site, H(34) is bonded in a single-bond geometry to one C(34) atom. In the twenty-sixth H site, H(35) is bonded in a single-bond geometry to one C(35) atom. In the twenty-seventh H site, H(36) is bonded in a single-bond geometry to one C(36) atom. In the twenty-eighth H site, H(37) is bonded in a single-bond geometry to one C(37) atom. In the twenty-ninth H site, H(38) is bonded in a single-bond geometry to one C(38) atom. In the thirtieth H site, H(39,40) is bonded in a single-bond geometry to one C(39) atom. In the thirty-first H site, H(41) is bonded in a single-bond geometry to one C(41) atom. In the thirty-second H site, H(42) is bonded in a single-bond geometry to one C(42) atom. In the thirty-third H site, H(43) is bonded in a single-bond geometry to one C(44) atom. In the thirty-fourth H site, H(44) is bonded in a single-bond geometry to one C(45) atom. In the thirty-fifth H site, H(45,46) is bonded in a single-bond geometry to one C(46) atom. In the thirty-sixth H site, H(47) is bonded in a single-bond geometry to one C(47) atom. In the thirty-seventh H site, H(48) is bonded in a single-bond geometry to one C(48) atom. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mo(1) and one Ni(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(5) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Mo(1), one Mo(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Mo(1), one Mo(5), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mo(2) and one Mo(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Mo(2), one Mo(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(3) and one Ni(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mo(3) and one Mo(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(4) and one Ni(1) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Mo(3), one Mo(4), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Mo(5) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Mo(4) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Mo(4) and one Mo(5) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to one Mo(5) and one Ni(2) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one P(2) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one P(1) atom. Linkers: 8 [CH]1N=C[N]N1Cc1ccc(CN2[CH]N=C[N]2)cc1 ,2 c1ncn(Cc2ccc(Cn3cncn3)cc2)n1 ,2 [CH]1N=C[N]N1Cc1ccc(Cn2cncn2)cc1. Metal clusters: 8 [Ni] ,20 [Mo]. The MOF has largest included sphere 4.82 A, density 1.61 g/cm3, surface area 3639.27 m2/g, accessible volume 0.23 cm3/g