(NiH38(C22N5)2)2Ni5H16(C16O9)2(CH)12 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twenty-four 02329_fluka molecules, two Ni5H16(C16O9)2 clusters, and four NiH38(C22N5)2 clusters. In each Ni5H16(C16O9)2 cluster, there are three inequivalent Ni sites. In the first Ni site, Ni(2) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(7) atom to form edge-sharing NiO5 square pyramids. The Ni(2)-O(1) bond length is 2.24 Å. The Ni(2)-O(2) bond length is 2.01 Å. The Ni(2)-O(4) bond length is 2.05 Å. The Ni(2)-O(5) bond length is 2.04 Å. The Ni(2)-O(7) bond length is 1.99 Å. In the second Ni site, Ni(3) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(6), and one O(8) atom. The Ni(3)-O(2) bond length is 1.93 Å. The Ni(3)-O(3) bond length is 2.04 Å. The Ni(3)-O(6) bond length is 2.27 Å. The Ni(3)-O(8) bond length is 2.02 Å. In the third Ni site, Ni(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form edge-sharing NiO6 octahedra. Both Ni(4)-O(1) bond lengths are 2.09 Å. Both Ni(4)-O(2) bond lengths are 2.01 Å. Both Ni(4)-O(6) bond lengths are 2.08 Å. There are sixteen inequivalent C sites. In the first C site, C(37) is bonded in a distorted bent 120 degrees geometry to one C(64), one O(1), and one O(3) atom. The C(37)-C(64) bond length is 1.54 Å. The C(37)-O(1) bond length is 1.24 Å. The C(37)-O(3) bond length is 1.26 Å. In the second C site, C(36) is bonded in a single-bond geometry to one C(64) and one H(26) atom. The C(36)-C(64) bond length is 1.37 Å. The C(36)-H(26) bond length is 0.93 Å. In the third C site, C(40) is bonded in a trigonal planar geometry to one C(1), one C(49), and one C(50) atom. The C(40)-C(1) bond length is 1.30 Å. The C(40)-C(49) bond length is 1.49 Å. The C(40)-C(50) bond length is 1.31 Å. In the fourth C site, C(45) is bonded in a distorted single-bond geometry to one C(64) and one H(34) atom. The C(45)-C(64) bond length is 1.34 Å. The C(45)-H(34) bond length is 0.93 Å. In the fifth C site, C(57) is bonded in a trigonal planar geometry to one C(14), one C(19), and one C(26) atom. The C(57)-C(14) bond length is 1.37 Å. The C(57)-C(19) bond length is 1.40 Å. The C(57)-C(26) bond length is 1.50 Å. In the sixth C site, C(62) is bonded in a distorted single-bond geometry to one C(63) and one H(48) atom. The C(62)-C(63) bond length is 1.38 Å. The C(62)-H(48) bond length is 0.93 Å. In the seventh C site, C(63) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(62) atom. The C(63)-C(10) bond length is 1.37 Å. The C(63)-C(11) bond length is 1.53 Å. In the eighth C site, C(64) is bonded in a trigonal planar geometry to one C(36), one C(37), and one C(45) atom. In the ninth C site, C(49) is bonded in a bent 120 degrees geometry to one C(40), one O(4), and one O(9) atom. The C(49)-O(4) bond length is 1.24 Å. The C(49)-O(9) bond length is 1.23 Å. In the tenth C site, C(50) is bonded in a distorted single-bond geometry to one C(40) and one H(38) atom. The C(50)-H(38) bond length is 0.93 Å. In the eleventh C site, C(1) is bonded in a distorted single-bond geometry to one C(40) and one H(1) atom. The C(1)-H(1) bond length is 0.93 Å. In the twelfth C site, C(10) is bonded in a distorted single-bond geometry to one C(63) and one H(3) atom. The C(10)-H(3) bond length is 0.93 Å. In the thirteenth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(63), one O(7), and one O(8) atom. The C(11)-O(7) bond length is 1.28 Å. The C(11)-O(8) bond length is 1.23 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(57) and one H(6) atom. The C(14)-H(6) bond length is 0.93 Å. In the fifteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(57) and one H(10) atom. The C(19)-H(10) bond length is 0.93 Å. In the sixteenth C site, C(26) is bonded in a distorted bent 120 degrees geometry to one C(57), one O(5), and one O(6) atom. The C(26)-O(5) bond length is 1.26 Å. The C(26)-O(6) bond length is 1.29 Å. There are eight inequivalent H sites. In the first H site, H(6) is bonded in a single-bond geometry to one C(14) atom. In the second H site, H(10) is bonded in a single-bond geometry to one C(19) atom. In the third H site, H(26) is bonded in a single-bond geometry to one C(36) atom. In the fourth H site, H(34) is bonded in a single-bond geometry to one C(45) atom. In the fifth H site, H(38) is bonded in a single-bond geometry to one C(50) atom. In the sixth H site, H(48) is bonded in a single-bond geometry to one C(62) atom. In the seventh H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the eighth H site, H(3) is bonded in a single-bond geometry to one C(10) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(4), and one C(37) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ni(2), one Ni(3), and one Ni(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ni(3) and one C(37) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(49) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one C(26) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(3), one Ni(4), and one C(26) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one C(11) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ni(3) and one C(11) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one C(49) atom. In each NiH38(C22N5)2 cluster, Ni(1) is bonded in an octahedral geometry to one N(10), one N(3), one N(4), one N(6), one N(7), and one N(8) atom. The Ni(1)-N(10) bond length is 2.11 Å. The Ni(1)-N(3) bond length is 2.11 Å. The Ni(1)-N(4) bond length is 2.16 Å. The Ni(1)-N(6) bond length is 2.16 Å. The Ni(1)-N(7) bond length is 2.08 Å. The Ni(1)-N(8) bond length is 2.07 Å. There are forty-four inequivalent C sites. In the first C site, C(2) is bonded in a distorted single-bond geometry to one C(21) and one H(2) atom. The C(2)-C(21) bond length is 1.26 Å. The C(2)-H(2) bond length is 0.93 Å. In the second C site, C(3) is bonded in a distorted single-bond geometry to one C(12), one C(53), and one N(2) atom. The C(3)-C(12) bond length is 1.40 Å. The C(3)-C(53) bond length is 1.41 Å. The C(3)-N(2) bond length is 1.38 Å. In the third C site, C(4) is bonded in a distorted single-bond geometry to one C(5), one C(56), and one N(7) atom. The C(4)-C(5) bond length is 1.38 Å. The C(4)-C(56) bond length is 1.39 Å. The C(4)-N(7) bond length is 1.40 Å. In the fourth C site, C(5) is bonded in a distorted single-bond geometry to one C(23), one C(4), and one N(1) atom. The C(5)-C(23) bond length is 1.43 Å. The C(5)-N(1) bond length is 1.37 Å. In the fifth C site, C(6) is bonded in a trigonal planar geometry to one C(39), one C(42), and one C(65) atom. The C(6)-C(39) bond length is 1.39 Å. The C(6)-C(42) bond length is 1.36 Å. The C(6)-C(65) bond length is 1.53 Å. In the sixth C site, C(7) is bonded in a trigonal planar geometry to one C(28), one C(59), and one C(66) atom. The C(7)-C(28) bond length is 1.40 Å. The C(7)-C(59) bond length is 1.38 Å. The C(7)-C(66) bond length is 1.51 Å. In the seventh C site, C(8) is bonded in a distorted trigonal planar geometry to one C(55), one N(2), and one N(3) atom. The C(8)-C(55) bond length is 1.52 Å. The C(8)-N(2) bond length is 1.35 Å. The C(8)-N(3) bond length is 1.32 Å. In the eighth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(24), one N(1), and one N(7) atom. The C(9)-C(24) bond length is 1.48 Å. The C(9)-N(1) bond length is 1.35 Å. The C(9)-N(7) bond length is 1.32 Å. In the ninth C site, C(12) is bonded in a distorted single-bond geometry to one C(3) and one H(4) atom. The C(12)-H(4) bond length is 0.93 Å. In the tenth C site, C(13) is bonded in a distorted single-bond geometry to one C(53) and one H(5) atom. The C(13)-C(53) bond length is 1.40 Å. The C(13)-H(5) bond length is 0.93 Å. In the eleventh C site, C(15) is bonded in a distorted single-bond geometry to one C(27), one C(46), and one N(9) atom. The C(15)-C(27) bond length is 1.40 Å. The C(15)-C(46) bond length is 1.40 Å. The C(15)-N(9) bond length is 1.39 Å. In the twelfth C site, C(16) is bonded in a 3-coordinate geometry to one C(17); one N(4); and two equivalent H(7,8) atoms. The C(16)-C(17) bond length is 1.48 Å. The C(16)-N(4) bond length is 1.49 Å. Both C(16)-H(7,8) bond lengths are 0.97 Å. In the thirteenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(16), one N(5), and one N(8) atom. The C(17)-N(5) bond length is 1.33 Å. The C(17)-N(8) bond length is 1.32 Å. In the fourteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(58) and one H(9) atom. The C(18)-C(58) bond length is 1.39 Å. The C(18)-H(9) bond length is 0.93 Å. In the fifteenth C site, C(20) is bonded in a distorted single-bond geometry to one C(41), one C(61), and one N(5) atom. The C(20)-C(41) bond length is 1.40 Å. The C(20)-C(61) bond length is 1.37 Å. The C(20)-N(5) bond length is 1.41 Å. In the sixteenth C site, C(21) is bonded in a trigonal planar geometry to one C(2), one C(30), and one C(51) atom. The C(21)-C(30) bond length is 1.52 Å. The C(21)-C(51) bond length is 1.29 Å. In the seventeenth C site, C(22) is bonded in a distorted trigonal planar geometry to one C(38), one N(10), and one N(9) atom. The C(22)-C(38) bond length is 1.49 Å. The C(22)-N(10) bond length is 1.33 Å. The C(22)-N(9) bond length is 1.36 Å. In the eighteenth C site, C(23) is bonded in a distorted single-bond geometry to one C(5) and one H(11) atom. The C(23)-H(11) bond length is 0.93 Å. In the nineteenth C site, C(24) is bonded in a 3-coordinate geometry to one C(9), one N(6), one H(12), and one H(13) atom. The C(24)-N(6) bond length is 1.48 Å. The C(24)-H(12) bond length is 0.97 Å. The C(24)-H(13) bond length is 0.97 Å. In the twentieth C site, C(25) is bonded in a 3-coordinate geometry to one N(6), one H(14), and one H(15) atom. The C(25)-N(6) bond length is 1.50 Å. The C(25)-H(14) bond length is 0.97 Å. The C(25)-H(15) bond length is 0.97 Å. In the twenty-first C site, C(27) is bonded in a distorted single-bond geometry to one C(15), one C(43), and one N(10) atom. The C(27)-C(43) bond length is 1.41 Å. The C(27)-N(10) bond length is 1.38 Å. In the twenty-second C site, C(28) is bonded in a distorted single-bond geometry to one C(7) and one H(16) atom. The C(28)-H(16) bond length is 0.93 Å. In the twenty-third C site, C(30) is bonded in a 3-coordinate geometry to one C(21); one N(9); and two equivalent H(18,19) atoms. The C(30)-N(9) bond length is 1.46 Å. Both C(30)-H(18,19) bond lengths are 0.97 Å. In the twenty-fourth C site, C(32) is bonded in a distorted single-bond geometry to one C(61) and one H(21) atom. The C(32)-C(61) bond length is 1.39 Å. The C(32)-H(21) bond length is 0.93 Å. In the twenty-fifth C site, C(34) is bonded in a 3-coordinate geometry to one C(58); one N(5); and two equivalent H(23,24) atoms. The C(34)-C(58) bond length is 1.50 Å. The C(34)-N(5) bond length is 1.46 Å. Both C(34)-H(23,24) bond lengths are 0.97 Å. In the twenty-sixth C site, C(38) is bonded in a 3-coordinate geometry to one C(22); one N(6); and two equivalent H(27,28) atoms. The C(38)-N(6) bond length is 1.48 Å. Both C(38)-H(27,28) bond lengths are 0.97 Å. In the twenty-seventh C site, C(39) is bonded in a distorted single-bond geometry to one C(6) and one H(29) atom. The C(39)-H(29) bond length is 0.93 Å. In the twenty-eighth C site, C(41) is bonded in a distorted single-bond geometry to one C(20) and one H(30) atom. The C(41)-H(30) bond length is 0.93 Å. In the twenty-ninth C site, C(42) is bonded in a single-bond geometry to one C(6) and one H(31) atom. The C(42)-H(31) bond length is 0.93 Å. In the thirtieth C site, C(43) is bonded in a distorted single-bond geometry to one C(27) and one H(32) atom. The C(43)-H(32) bond length is 0.93 Å. In the thirty-first C site, C(44) is bonded in a distorted single-bond geometry to one C(52) and one H(33) atom. The C(44)-C(52) bond length is 1.40 Å. The C(44)-H(33) bond length is 0.93 Å. In the thirty-second C site, C(46) is bonded in a distorted single-bond geometry to one C(15), one C(52), and one H(35) atom. The C(46)-C(52) bond length is 1.36 Å. The C(46)-H(35) bond length is 0.93 Å. In the thirty-third C site, C(51) is bonded in a distorted single-bond geometry to one C(21) and one H(39) atom. The C(51)-H(39) bond length is 0.93 Å. In the thirty-fourth C site, C(52) is bonded in a distorted trigonal planar geometry to one C(44), one C(46), and one H(40) atom. The C(52)-H(40) bond length is 0.93 Å. In the thirty-fifth C site, C(53) is bonded in a distorted single-bond geometry to one C(13), one C(3), and one N(3) atom. The C(53)-N(3) bond length is 1.40 Å. In the thirty-sixth C site, C(54) is bonded in a 3-coordinate geometry to one N(4) and two equivalent H(41,42) atoms. The C(54)-N(4) bond length is 1.48 Å. Both C(54)-H(41,42) bond lengths are 0.97 Å. In the thirty-seventh C site, C(55) is bonded in a 3-coordinate geometry to one C(8); one N(4); and two equivalent H(43,44) atoms. The C(55)-N(4) bond length is 1.50 Å. Both C(55)-H(43,44) bond lengths are 0.97 Å. In the thirty-eighth C site, C(56) is bonded in a single-bond geometry to one C(4) and one H(45) atom. The C(56)-H(45) bond length is 0.93 Å. In the thirty-ninth C site, C(58) is bonded in a trigonal planar geometry to one C(18), one C(34), and one C(60) atom. The C(58)-C(60) bond length is 1.38 Å. In the fortieth C site, C(59) is bonded in a distorted single-bond geometry to one C(7) and one H(46) atom. The C(59)-H(46) bond length is 0.93 Å. In the forty-first C site, C(60) is bonded in a distorted single-bond geometry to one C(58) and one H(47) atom. The C(60)-H(47) bond length is 0.93 Å. In the forty-second C site, C(61) is bonded in a distorted single-bond geometry to one C(20), one C(32), and one N(8) atom. The C(61)-N(8) bond length is 1.40 Å. In the forty-third C site, C(65) is bonded in a 3-coordinate geometry to one C(6), one N(2), one H(49), and one H(50) atom. The C(65)-N(2) bond length is 1.46 Å. The C(65)-H(49) bond length is 0.97 Å. The C(65)-H(50) bond length is 0.97 Å. In the forty-fourth C site, C(66) is bonded in a 3-coordinate geometry to one C(7), one N(1), one H(51), and one H(52) atom. The C(66)-N(1) bond length is 1.47 Å. The C(66)-H(51) bond length is 0.97 Å. The C(66)-H(52) bond length is 0.97 Å. There are ten inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(5), one C(66), and one C(9) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(3), one C(65), and one C(8) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Ni(1), one C(53), and one C(8) atom. In the fourth N site, N(4) is bonded to one Ni(1), one C(16), one C(54), and one C(55) atom to form corner-sharing NNiC3 tetrahedra. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(17), one C(20), and one C(34) atom. In the sixth N site, N(6) is bonded to one Ni(1), one C(24), one C(25), and one C(38) atom to form corner-sharing NNiC3 tetrahedra. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Ni(1), one C(4), and one C(9) atom. In the eighth N site, N(8) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one C(17), and one C(61) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one C(15), one C(22), and one C(30) atom. In the tenth N site, N(10) is bonded in a 3-coordinate geometry to one Ni(1), one C(22), and one C(27) atom. There are thirty-two inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(12) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(13) atom. In the fourth H site, H(7,8) is bonded in a single-bond geometry to one C(16) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(18) atom. In the sixth H site, H(11) is bonded in a single-bond geometry to one C(23) atom. In the seventh H site, H(12) is bonded in a single-bond geometry to one C(24) atom. In the eighth H site, H(13) is bonded in a single-bond geometry to one C(24) atom. In the ninth H site, H(14) is bonded in a single-bond geometry to one C(25) atom. In the tenth H site, H(15) is bonded in a single-bond geometry to one C(25) atom. In the eleventh H site, H(16) is bonded in a single-bond geometry to one C(28) atom. In the twelfth H site, H(18,19) is bonded in a single-bond geometry to one C(30) atom. In the thirteenth H site, H(21) is bonded in a single-bond geometry to one C(32) atom. In the fourteenth H site, H(23,24) is bonded in a single-bond geometry to one C(34) atom. In the fifteenth H site, H(27,28) is bonded in a single-bond geometry to one C(38) atom. In the sixteenth H site, H(29) is bonded in a single-bond geometry to one C(39) atom. In the seventeenth H site, H(30) is bonded in a single-bond geometry to one C(41) atom. In the eighteenth H site, H(31) is bonded in a single-bond geometry to one C(42) atom. In the nineteenth H site, H(32) is bonded in a single-bond geometry to one C(43) atom. In the twentieth H site, H(33) is bonded in a single-bond geometry to one C(44) atom. In the twenty-first H site, H(35) is bonded in a single-bond geometry to one C(46) atom. In the twenty-second H site, H(39) is bonded in a single-bond geometry to one C(51) atom. In the twenty-third H site, H(40) is bonded in a single-bond geometry to one C(52) atom. In the twenty-fourth H site, H(41,42) is bonded in a single-bond geometry to one C(54) atom. In the twenty-fifth H site, H(43,44) is bonded in a single-bond geometry to one C(55) atom. In the twenty-sixth H site, H(45) is bonded in a single-bond geometry to one C(56) atom. In the twenty-seventh H site, H(46) is bonded in a single-bond geometry to one C(59) atom. In the twenty-eighth H site, H(47) is bonded in a single-bond geometry to one C(60) atom. In the twenty-ninth H site, H(49) is bonded in a single-bond geometry to one C(65) atom. In the thirtieth H site, H(50) is bonded in a single-bond geometry to one C(65) atom. In the thirty-first H site, H(51) is bonded in a single-bond geometry to one C(66) atom. In the thirty-second H site, H(52) is bonded in a single-bond geometry to one C(66) atom. Linkers: 4 [O]C(=O)c1ccc(Cn2c(CN(CCN(Cc3nc4ccccc4n3Cc3ccc(C([O])=O)cc3)Cc3nc4ccccc4n3Cc3ccc(C([O])=O)cc3)Cc3nc4ccccc4n3Cc3ccc(C([O])=O)cc3)nc3ccccc32)cc1. Metal clusters: 4 [Ni] ,1 O=[C]O[Ni@]12O[C]O[Ni](O[C]O[Ni@@]3(O[C]O[Ni]4O[C]O[Ni@](O[C]=O)(O[C]O3)O4)O[C]O1)O2 ,1 O=[C]O[Ni@]12O[C]O[Ni](O[C]O[Ni@]3(O[C]O[Ni]4O[C]O[Ni@](O[C]=O)(O[C]O3)O4)O[C]O1)O2. The MOF has largest included sphere 5.94 A, density 1.16 g/cm3, surface area 4386.82 m2/g, accessible volume 0.30 cm3/g