Mo2Ni4C61N32H62(CH2)6(CH3)2(CH)7 crystallizes in the monoclinic P2_1/c space group. The structure consists of twenty-eight 02329_fluka molecules, twenty-four 02329_fluka molecules, and eight 02329_fluka molecules inside a Mo2Ni4C61N32H62 framework. In the Mo2Ni4C61N32H62 framework, there are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 8-coordinate geometry to one C(1), one C(23), one C(27), one C(32), one C(35), one C(5), one C(73), and one C(76) atom. The Mo(1)-C(1) bond length is 2.16 Å. The Mo(1)-C(23) bond length is 2.15 Å. The Mo(1)-C(27) bond length is 2.16 Å. The Mo(1)-C(32) bond length is 2.18 Å. The Mo(1)-C(35) bond length is 2.16 Å. The Mo(1)-C(5) bond length is 2.16 Å. The Mo(1)-C(73) bond length is 2.15 Å. The Mo(1)-C(76) bond length is 2.14 Å. In the second Mo site, Mo(2) is bonded in a 8-coordinate geometry to one C(17), one C(24), one C(4), one C(52), one C(60), one C(74), one C(8), and one N(25) atom. The Mo(2)-C(17) bond length is 2.11 Å. The Mo(2)-C(24) bond length is 2.13 Å. The Mo(2)-C(4) bond length is 2.10 Å. The Mo(2)-C(52) bond length is 2.17 Å. The Mo(2)-C(60) bond length is 2.11 Å. The Mo(2)-C(74) bond length is 2.18 Å. The Mo(2)-C(8) bond length is 2.13 Å. The Mo(2)-N(25) bond length is 2.19 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in an octahedral geometry to one N(1), one N(21), one N(28), one N(32), one N(6), and one N(7) atom. The Ni(1)-N(1) bond length is 2.07 Å. The Ni(1)-N(21) bond length is 1.99 Å. The Ni(1)-N(28) bond length is 2.03 Å. The Ni(1)-N(32) bond length is 2.05 Å. The Ni(1)-N(6) bond length is 2.10 Å. The Ni(1)-N(7) bond length is 1.95 Å. In the second Ni site, Ni(2) is bonded in an octahedral geometry to one N(10), one N(11), one N(13), one N(18), one N(26), and one N(9) atom. The Ni(2)-N(10) bond length is 2.15 Å. The Ni(2)-N(11) bond length is 2.02 Å. The Ni(2)-N(13) bond length is 1.95 Å. The Ni(2)-N(18) bond length is 2.06 Å. The Ni(2)-N(26) bond length is 2.10 Å. The Ni(2)-N(9) bond length is 2.08 Å. In the third Ni site, Ni(3) is bonded in an octahedral geometry to one C(72), one N(14), one N(17), one N(31), one N(4), and one N(5) atom. The Ni(3)-C(72) bond length is 2.11 Å. The Ni(3)-N(14) bond length is 1.95 Å. The Ni(3)-N(17) bond length is 2.01 Å. The Ni(3)-N(31) bond length is 2.05 Å. The Ni(3)-N(4) bond length is 2.14 Å. The Ni(3)-N(5) bond length is 1.99 Å. In the fourth Ni site, Ni(4) is bonded in an octahedral geometry to one N(12), one N(15), one N(16), one N(19), one N(20), and one N(8) atom. The Ni(4)-N(12) bond length is 2.11 Å. The Ni(4)-N(15) bond length is 2.08 Å. The Ni(4)-N(16) bond length is 2.04 Å. The Ni(4)-N(19) bond length is 1.90 Å. The Ni(4)-N(20) bond length is 1.88 Å. The Ni(4)-N(8) bond length is 2.17 Å. There are sixty-one inequivalent C sites. In the first C site, C(69) is bonded in a distorted trigonal planar geometry to one C(3), one C(45), and one N(7) atom. The C(69)-C(3) bond length is 1.47 Å. The C(69)-C(45) bond length is 1.35 Å. The C(69)-N(7) bond length is 1.31 Å. In the second C site, C(70) is bonded in a distorted single-bond geometry to one C(51) and one H(9) atom. The C(70)-C(51) bond length is 1.46 Å. The C(70)-H(9) bond length is 0.93 Å. In the third C site, C(72) is bonded in a distorted bent 150 degrees geometry to one Ni(3) and one N(25) atom. The C(72)-N(25) bond length is 1.15 Å. In the fourth C site, C(73) is bonded in a linear geometry to one Mo(1) and one N(32) atom. The C(73)-N(32) bond length is 1.14 Å. In the fifth C site, C(74) is bonded in a distorted linear geometry to one Mo(2) and one N(23) atom. The C(74)-N(23) bond length is 1.15 Å. In the sixth C site, C(75) is bonded in a 3-coordinate geometry to one N(11), one H(39), and one H(45) atom. The C(75)-N(11) bond length is 1.43 Å. The C(75)-H(39) bond length is 0.97 Å. The C(75)-H(45) bond length is 0.97 Å. In the seventh C site, C(76) is bonded in a distorted single-bond geometry to one Mo(1) and one N(10) atom. The C(76)-N(10) bond length is 1.13 Å. In the eighth C site, C(1) is bonded in a distorted single-bond geometry to one Mo(1) and one N(3,27) atom. The C(1)-N(3,27) bond length is 1.16 Å. In the ninth C site, C(3) is bonded in a distorted trigonal planar geometry to one C(38), one C(69), and one N(1) atom. The C(3)-C(38) bond length is 1.51 Å. The C(3)-N(1) bond length is 1.30 Å. In the tenth C site, C(4) is bonded in a linear geometry to one Mo(2) and one N(29) atom. The C(4)-N(29) bond length is 1.15 Å. In the eleventh C site, C(5) is bonded in a linear geometry to one Mo(1) and one N(9) atom. The C(5)-N(9) bond length is 1.14 Å. In the twelfth C site, C(6) is bonded in a distorted single-bond geometry to one C(59) and one H(74) atom. The C(6)-C(59) bond length is 1.47 Å. The C(6)-H(74) bond length is 0.93 Å. In the thirteenth C site, C(7) is bonded in a trigonal non-coplanar geometry to one C(12), one H(37), one H(77), and one H(81) atom. The C(7)-C(12) bond length is 1.41 Å. The C(7)-H(37) bond length is 0.96 Å. The C(7)-H(77) bond length is 0.96 Å. The C(7)-H(81) bond length is 0.96 Å. In the fourteenth C site, C(8) is bonded in a linear geometry to one Mo(2) and one N(3,27) atom. The C(8)-N(3,27) bond length is 1.16 Å. In the fifteenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(40), one C(65), and one N(31) atom. The C(10)-C(40) bond length is 1.44 Å. The C(10)-C(65) bond length is 1.50 Å. The C(10)-N(31) bond length is 1.23 Å. In the sixteenth C site, C(11) is bonded in a 3-coordinate geometry to one N(21), one H(24), and one H(60) atom. The C(11)-N(21) bond length is 1.42 Å. The C(11)-H(24) bond length is 0.97 Å. The C(11)-H(60) bond length is 0.97 Å. In the seventeenth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(25), one C(7), and one N(19) atom. The C(12)-C(25) bond length is 1.47 Å. The C(12)-N(19) bond length is 1.30 Å. In the eighteenth C site, C(13) is bonded in a 3-coordinate geometry to one N(19), one H(1), and one H(38) atom. The C(13)-N(19) bond length is 1.38 Å. The C(13)-H(1) bond length is 0.97 Å. The C(13)-H(38) bond length is 0.97 Å. In the nineteenth C site, C(15) is bonded in a 3-coordinate geometry to one N(16) and two equivalent H(11,13,32,44) atoms. The C(15)-N(16) bond length is 1.41 Å. Both C(15)-H(11,13,32,44) bond lengths are 0.97 Å. In the twentieth C site, C(16) is bonded in a 3-coordinate geometry to one N(5) and two equivalent H(54,84) atoms. The C(16)-N(5) bond length is 1.52 Å. Both C(16)-H(54,84) bond lengths are 0.97 Å. In the twenty-first C site, C(17) is bonded in a distorted linear geometry to one Mo(2) and one N(12) atom. The C(17)-N(12) bond length is 1.14 Å. In the twenty-second C site, C(19) is bonded in a distorted single-bond geometry to one C(25) and one H(87) atom. The C(19)-C(25) bond length is 1.51 Å. The C(19)-H(87) bond length is 0.93 Å. In the twenty-third C site, C(20) is bonded in a trigonal non-coplanar geometry to one C(30), one H(34), one H(6), and one H(71) atom. The C(20)-C(30) bond length is 1.50 Å. The C(20)-H(34) bond length is 0.96 Å. The C(20)-H(6) bond length is 0.96 Å. The C(20)-H(71) bond length is 0.96 Å. In the twenty-fourth C site, C(21) is bonded in a trigonal non-coplanar geometry to one C(54); one H(31); and two equivalent H(46,64) atoms. The C(21)-C(54) bond length is 1.52 Å. The C(21)-H(31) bond length is 0.96 Å. Both C(21)-H(46,64) bond lengths are 0.96 Å. In the twenty-fifth C site, C(23) is bonded in a linear geometry to one Mo(1) and one N(30) atom. The C(23)-N(30) bond length is 1.10 Å. In the twenty-sixth C site, C(24) is bonded in a distorted linear geometry to one Mo(2) and one N(6) atom. The C(24)-N(6) bond length is 1.16 Å. In the twenty-seventh C site, C(25) is bonded in a distorted trigonal planar geometry to one C(12), one C(19), and one N(20) atom. The C(25)-N(20) bond length is 1.32 Å. In the twenty-eighth C site, C(26) is bonded in a 3-coordinate geometry to one N(31) and two equivalent H(35,36) atoms. The C(26)-N(31) bond length is 1.46 Å. Both C(26)-H(35,36) bond lengths are 0.97 Å. In the twenty-ninth C site, C(27) is bonded in a distorted linear geometry to one Mo(1) and one N(4) atom. The C(27)-N(4) bond length is 1.14 Å. In the thirtieth C site, C(28) is bonded in a 3-coordinate geometry to one N(17), one H(19), and one H(42) atom. The C(28)-N(17) bond length is 1.43 Å. The C(28)-H(19) bond length is 0.97 Å. The C(28)-H(42) bond length is 0.97 Å. In the thirty-first C site, C(30) is bonded in a distorted trigonal planar geometry to one C(20), one C(51), and one N(11) atom. The C(30)-C(51) bond length is 1.45 Å. The C(30)-N(11) bond length is 1.34 Å. In the thirty-second C site, C(32) is bonded in a distorted linear geometry to one Mo(1) and one N(2) atom. The C(32)-N(2) bond length is 1.16 Å. In the thirty-third C site, C(35) is bonded in a distorted linear geometry to one Mo(1) and one N(24) atom. The C(35)-N(24) bond length is 1.15 Å. In the thirty-fourth C site, C(36) is bonded in a distorted single-bond geometry to one N(8) atom. The C(36)-N(8) bond length is 1.11 Å. In the thirty-fifth C site, C(37) is bonded in a 4-coordinate geometry to one C(58), one N(21), one H(25), and one H(86) atom. The C(37)-C(58) bond length is 1.42 Å. The C(37)-N(21) bond length is 1.50 Å. The C(37)-H(25) bond length is 0.97 Å. The C(37)-H(86) bond length is 0.97 Å. In the thirty-sixth C site, C(38) is bonded in a trigonal non-coplanar geometry to one C(3), one H(18), one H(3), and one H(76) atom. The C(38)-H(18) bond length is 0.96 Å. The C(38)-H(3) bond length is 0.96 Å. The C(38)-H(76) bond length is 0.96 Å. In the thirty-seventh C site, C(40) is bonded in a distorted trigonal planar geometry to one C(10), one C(44), and one N(14) atom. The C(40)-C(44) bond length is 1.33 Å. The C(40)-N(14) bond length is 1.31 Å. In the thirty-eighth C site, C(41) is bonded in a trigonal non-coplanar geometry to one C(55); one H(21); and two equivalent H(8,66) atoms. The C(41)-C(55) bond length is 1.50 Å. The C(41)-H(21) bond length is 0.96 Å. Both C(41)-H(8,66) bond lengths are 0.96 Å. In the thirty-ninth C site, C(42) is bonded in a 3-coordinate geometry to one N(18) and two equivalent H(48,57) atoms. The C(42)-N(18) bond length is 1.47 Å. Both C(42)-H(48,57) bond lengths are 0.97 Å. In the fortieth C site, C(43) is bonded in a 2-coordinate geometry to one N(8), one H(47), and one H(7) atom. The C(43)-N(8) bond length is 1.55 Å. The C(43)-H(47) bond length is 0.97 Å. The C(43)-H(7) bond length is 0.97 Å. In the forty-first C site, C(44) is bonded in a distorted single-bond geometry to one C(40) and one H(61) atom. The C(44)-H(61) bond length is 0.93 Å. In the forty-second C site, C(45) is bonded in a distorted single-bond geometry to one C(69) and one H(85) atom. The C(45)-H(85) bond length is 0.93 Å. In the forty-third C site, C(46) is bonded in a distorted single-bond geometry to one N(20) atom. The C(46)-N(20) bond length is 1.32 Å. In the forty-fourth C site, C(47) is bonded in a distorted single-bond geometry to one C(64) and one H(23) atom. The C(47)-C(64) bond length is 1.37 Å. The C(47)-H(23) bond length is 0.93 Å. In the forty-fifth C site, C(48) is bonded in a 3-coordinate geometry to one N(17), one H(30), and one H(33) atom. The C(48)-N(17) bond length is 1.41 Å. The C(48)-H(30) bond length is 0.97 Å. The C(48)-H(33) bond length is 0.97 Å. In the forty-sixth C site, C(49) is bonded in a 3-coordinate geometry to one N(18), one H(10), and one H(58) atom. The C(49)-N(18) bond length is 1.44 Å. The C(49)-H(10) bond length is 0.97 Å. The C(49)-H(58) bond length is 0.97 Å. In the forty-seventh C site, C(50) is bonded in a 3-coordinate geometry to one N(26) and two equivalent H(28,80) atoms. The C(50)-N(26) bond length is 1.45 Å. Both C(50)-H(28,80) bond lengths are 0.97 Å. In the forty-eighth C site, C(51) is bonded in a distorted single-bond geometry to one C(30), one C(70), and one N(13) atom. The C(51)-N(13) bond length is 1.29 Å. In the forty-ninth C site, C(52) is bonded in a distorted single-bond geometry to one Mo(2) and one N(22) atom. The C(52)-N(22) bond length is 1.14 Å. In the fiftieth C site, C(54) is bonded in a distorted single-bond geometry to one C(21), one C(59), and one N(5) atom. The C(54)-C(59) bond length is 1.42 Å. The C(54)-N(5) bond length is 1.28 Å. In the fifty-first C site, C(55) is bonded in a distorted single-bond geometry to one C(41), one C(63), and one N(28) atom. The C(55)-C(63) bond length is 1.48 Å. The C(55)-N(28) bond length is 1.26 Å. In the fifty-second C site, C(58) is bonded in a water-like geometry to one C(37), one H(62), and one H(78) atom. The C(58)-H(62) bond length is 0.97 Å. The C(58)-H(78) bond length is 0.97 Å. In the fifty-third C site, C(59) is bonded in a distorted trigonal planar geometry to one C(54), one C(6), and one N(14) atom. The C(59)-N(14) bond length is 1.30 Å. In the fifty-fourth C site, C(60) is bonded in a linear geometry to one Mo(2) and one N(15) atom. The C(60)-N(15) bond length is 1.15 Å. In the fifty-fifth C site, C(61) is bonded in a distorted trigonal non-coplanar geometry to one N(28), one H(16), and one H(83) atom. The C(61)-N(28) bond length is 1.42 Å. The C(61)-H(16) bond length is 0.97 Å. The C(61)-H(83) bond length is 0.97 Å. In the fifty-sixth C site, C(62) is bonded in a distorted trigonal non-coplanar geometry to one N(16) and two equivalent H(11,13,32,44) atoms. The C(62)-N(16) bond length is 1.40 Å. Both C(62)-H(11,13,32,44) bond lengths are 0.97 Å. In the fifty-seventh C site, C(63) is bonded in a distorted single-bond geometry to one C(55) and one N(7) atom. The C(63)-N(7) bond length is 1.30 Å. In the fifty-eighth C site, C(64) is bonded in a distorted trigonal planar geometry to one C(47), one C(68), and one N(13) atom. The C(64)-C(68) bond length is 1.50 Å. The C(64)-N(13) bond length is 1.32 Å. In the fifty-ninth C site, C(65) is bonded in a trigonal non-coplanar geometry to one C(10); one H(59); and two equivalent H(20,49) atoms. The C(65)-H(59) bond length is 0.96 Å. Both C(65)-H(20,49) bond lengths are 0.96 Å. In the sixtieth C site, C(67) is bonded in a 3-coordinate geometry to one N(1) and two equivalent H(5,70) atoms. The C(67)-N(1) bond length is 1.46 Å. Both C(67)-H(5,70) bond lengths are 0.97 Å. In the sixty-first C site, C(68) is bonded in a distorted single-bond geometry to one C(64) and one N(26) atom. The C(68)-N(26) bond length is 1.23 Å. There are thirty-one inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Ni(1), one C(3), and one C(67) atom. In the second N site, N(2) is bonded in a single-bond geometry to one C(32) atom. In the third N site, N(3,27) is bonded in a single-bond geometry to one C(8) atom. In the fourth N site, N(4) is bonded in a bent 150 degrees geometry to one Ni(3) and one C(27) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Ni(3), one C(16), and one C(54) atom. In the sixth N site, N(6) is bonded in a bent 150 degrees geometry to one Ni(1) and one C(24) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Ni(1), one C(63), and one C(69) atom. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one Ni(4), one C(36), and one C(43) atom. In the ninth N site, N(9) is bonded in a bent 150 degrees geometry to one Ni(2) and one C(5) atom. In the tenth N site, N(10) is bonded in a bent 150 degrees geometry to one Ni(2) and one C(76) atom. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one Ni(2), one C(30), and one C(75) atom. In the twelfth N site, N(12) is bonded in a bent 150 degrees geometry to one Ni(4) and one C(17) atom. In the thirteenth N site, N(13) is bonded in a trigonal planar geometry to one Ni(2), one C(51), and one C(64) atom. In the fourteenth N site, N(14) is bonded in a trigonal planar geometry to one Ni(3), one C(40), and one C(59) atom. In the fifteenth N site, N(15) is bonded in a bent 150 degrees geometry to one Ni(4) and one C(60) atom. In the sixteenth N site, N(16) is bonded in a distorted single-bond geometry to one Ni(4), one C(15), one C(62), and one H(52) atom. The N(16)-H(52) bond length is 0.91 Å. In the seventeenth N site, N(17) is bonded in a distorted single-bond geometry to one Ni(3), one C(28), one C(48), and one H(67) atom. The N(17)-H(67) bond length is 0.91 Å. In the eighteenth N site, N(18) is bonded in a distorted single-bond geometry to one Ni(2), one C(42), one C(49), and one H(26) atom. The N(18)-H(26) bond length is 0.91 Å. In the nineteenth N site, N(19) is bonded in a trigonal planar geometry to one Ni(4), one C(12), and one C(13) atom. In the twentieth N site, N(20) is bonded in a trigonal planar geometry to one Ni(4), one C(25), and one C(46) atom. In the twenty-first N site, N(21) is bonded in a distorted single-bond geometry to one Ni(1), one C(11), one C(37), and one H(82) atom. The N(21)-H(82) bond length is 0.91 Å. In the twenty-second N site, N(22) is bonded in a single-bond geometry to one C(52) atom. In the twenty-third N site, N(23) is bonded in a single-bond geometry to one C(74) atom. In the twenty-fourth N site, N(24) is bonded in a single-bond geometry to one C(35) atom. In the twenty-fifth N site, N(25) is bonded in a linear geometry to one Mo(2) and one C(72) atom. In the twenty-sixth N site, N(26) is bonded in a trigonal planar geometry to one Ni(2), one C(50), and one C(68) atom. In the twenty-seventh N site, N(28) is bonded in a trigonal planar geometry to one Ni(1), one C(55), and one C(61) atom. In the twenty-eighth N site, N(29) is bonded in a single-bond geometry to one C(4) atom. In the twenty-ninth N site, N(30) is bonded in a single-bond geometry to one C(23) atom. In the thirtieth N site, N(31) is bonded in a trigonal planar geometry to one Ni(3), one C(10), and one C(26) atom. In the thirty-first N site, N(32) is bonded in a linear geometry to one Ni(1) and one C(73) atom. There are fifty-one inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(13) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(38) atom. In the third H site, H(5,70) is bonded in a single-bond geometry to one C(67) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(20) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(43) atom. In the sixth H site, H(8,66) is bonded in a single-bond geometry to one C(41) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(70) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(49) atom. In the ninth H site, H(11,13,32,44) is bonded in a single-bond geometry to one C(62) atom. In the tenth H site, H(16) is bonded in a single-bond geometry to one C(61) atom. In the eleventh H site, H(18) is bonded in a single-bond geometry to one C(38) atom. In the twelfth H site, H(19) is bonded in a single-bond geometry to one C(28) atom. In the thirteenth H site, H(20,49) is bonded in a single-bond geometry to one C(65) atom. In the fourteenth H site, H(21) is bonded in a single-bond geometry to one C(41) atom. In the fifteenth H site, H(23) is bonded in a single-bond geometry to one C(47) atom. In the sixteenth H site, H(24) is bonded in a single-bond geometry to one C(11) atom. In the seventeenth H site, H(25) is bonded in a single-bond geometry to one C(37) atom. In the eighteenth H site, H(26) is bonded in a single-bond geometry to one N(18) atom. In the nineteenth H site, H(28,80) is bonded in a single-bond geometry to one C(50) atom. In the twentieth H site, H(30) is bonded in a single-bond geometry to one C(48) atom. In the twenty-first H site, H(31) is bonded in a single-bond geometry to one C(21) atom. In the twenty-second H site, H(33) is bonded in a single-bond geometry to one C(48) atom. In the twenty-third H site, H(34) is bonded in a single-bond geometry to one C(20) atom. In the twenty-fourth H site, H(35,36) is bonded in a single-bond geometry to one C(26) atom. In the twenty-fifth H site, H(37) is bonded in a single-bond geometry to one C(7) atom. In the twenty-sixth H site, H(38) is bonded in a single-bond geometry to one C(13) atom. In the twenty-seventh H site, H(39) is bonded in a single-bond geometry to one C(75) atom. In the twenty-eighth H site, H(42) is bonded in a single-bond geometry to one C(28) atom. In the twenty-ninth H site, H(45) is bonded in a single-bond geometry to one C(75) atom. In the thirtieth H site, H(46,64) is bonded in a single-bond geometry to one C(21) atom. In the thirty-first H site, H(47) is bonded in a single-bond geometry to one C(43) atom. In the thirty-second H site, H(48,57) is bonded in a single-bond geometry to one C(42) atom. In the thirty-third H site, H(52) is bonded in a single-bond geometry to one N(16) atom. In the thirty-fourth H site, H(54,84) is bonded in a single-bond geometry to one C(16) atom. In the thirty-fifth H site, H(58) is bonded in a single-bond geometry to one C(49) atom. In the thirty-sixth H site, H(59) is bonded in a single-bond geometry to one C(65) atom. In the thirty-seventh H site, H(60) is bonded in a single-bond geometry to one C(11) atom. In the thirty-eighth H site, H(61) is bonded in a single-bond geometry to one C(44) atom. In the thirty-ninth H site, H(62) is bonded in a single-bond geometry to one C(58) atom. In the fortieth H site, H(67) is bonded in a single-bond geometry to one N(17) atom. In the forty-first H site, H(71) is bonded in a single-bond geometry to one C(20) atom. In the forty-second H site, H(74) is bonded in a single-bond geometry to one C(6) atom. In the forty-third H site, H(76) is bonded in a single-bond geometry to one C(38) atom. In the forty-fourth H site, H(77) is bonded in a single-bond geometry to one C(7) atom. In the forty-fifth H site, H(78) is bonded in a single-bond geometry to one C(58) atom. In the forty-sixth H site, H(81) is bonded in a single-bond geometry to one C(7) atom. In the forty-seventh H site, H(82) is bonded in a single-bond geometry to one N(21) atom. In the forty-eighth H site, H(83) is bonded in a single-bond geometry to one C(61) atom. In the forty-ninth H site, H(85) is bonded in a single-bond geometry to one C(45) atom. In the fiftieth H site, H(86) is bonded in a single-bond geometry to one C(37) atom. In the fifty-first H site, H(87) is bonded in a single-bond geometry to one C(19) atom. Linkers: 3 C/C1=N\CCCNCCC/N=C(\C)c2cccc1n2. Metal clusters: 16 [Ni] ,8 [Mo]. The MOF has largest included sphere 6.72 A, density 1.16 g/cm3, surface area 4623.15 m2/g, accessible volume 0.40 cm3/g