Ni3C27NH23O13C7H4CH2 is Indium-derived structured and crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of four 02329_fluka molecules, two C7H4 clusters, and two Ni3C27NH23O13 clusters. In each C7H4 cluster, there are seven inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(4) and one H(1) atom. The C(1)-C(4) bond length is 1.31 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(3) is bonded in a trigonal planar geometry to one C(3), one C(4), and one C(8) atom. The C(3)-C(3) bond length is 1.25 Å. The C(3)-C(4) bond length is 1.54 Å. The C(3)-C(8) bond length is 1.52 Å. In the third C site, C(4) is bonded in a trigonal planar geometry to one C(1), one C(26), and one C(3) atom. The C(4)-C(26) bond length is 1.55 Å. In the fourth C site, C(6) is bonded in a distorted single-bond geometry to one C(8) and one H(2) atom. The C(6)-C(8) bond length is 1.32 Å. The C(6)-H(2) bond length is 0.93 Å. In the fifth C site, C(8) is bonded in a trigonal planar geometry to one C(15), one C(3), and one C(6) atom. The C(8)-C(15) bond length is 1.36 Å. In the sixth C site, C(15) is bonded in a distorted single-bond geometry to one C(8) and one H(6) atom. The C(15)-H(6) bond length is 0.93 Å. In the seventh C site, C(26) is bonded in a distorted single-bond geometry to one C(4) and one H(21) atom. The C(26)-H(21) bond length is 0.93 Å. There are four inequivalent H sites. In the first H site, H(21) is bonded in a single-bond geometry to one C(26) atom. In the second H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(2) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(15) atom. In each Ni3C27NH23O13 cluster, there are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a rectangular see-saw-like geometry to one O(11), one O(3), one O(5), and one O(7) atom. The Ni(1)-O(11) bond length is 2.15 Å. The Ni(1)-O(3) bond length is 2.07 Å. The Ni(1)-O(5) bond length is 1.97 Å. The Ni(1)-O(7) bond length is 2.11 Å. In the second Ni site, Ni(2) is bonded to one N(1), one O(13), one O(4), one O(6), and one O(9) atom to form edge-sharing NiNO4 square pyramids. The Ni(2)-N(1) bond length is 1.99 Å. The Ni(2)-O(13) bond length is 2.07 Å. The Ni(2)-O(4) bond length is 1.94 Å. The Ni(2)-O(6) bond length is 2.11 Å. The Ni(2)-O(9) bond length is 2.24 Å. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(9) atom to form edge-sharing NiO6 octahedra. The Ni(3)-O(1) bond length is 1.93 Å. The Ni(3)-O(2) bond length is 2.11 Å. The Ni(3)-O(5) bond length is 2.10 Å. The Ni(3)-O(6) bond length is 2.05 Å. The Ni(3)-O(7) bond length is 2.13 Å. The Ni(3)-O(9) bond length is 2.04 Å. There are twenty-seven inequivalent C sites. In the first C site, C(2) is bonded in a trigonal planar geometry to one C(13), one C(2), and one C(5) atom. The C(2)-C(13) bond length is 1.55 Å. The C(2)-C(2) bond length is 1.21 Å. The C(2)-C(5) bond length is 1.45 Å. In the second C site, C(5) is bonded in a trigonal planar geometry to one C(2), one C(29), and one C(9) atom. The C(5)-C(29) bond length is 1.32 Å. The C(5)-C(9) bond length is 1.45 Å. In the third C site, C(7) is bonded in a distorted single-bond geometry to one C(13), one C(19), and one H(3) atom. The C(7)-C(13) bond length is 1.43 Å. The C(7)-C(19) bond length is 1.29 Å. The C(7)-H(3) bond length is 0.93 Å. In the fourth C site, C(9) is bonded in a distorted single-bond geometry to one C(5) and one H(4) atom. The C(9)-H(4) bond length is 0.93 Å. In the fifth C site, C(10) is bonded in a distorted single-bond geometry to one C(13) and one H(5) atom. The C(10)-C(13) bond length is 1.48 Å. The C(10)-H(5) bond length is 0.93 Å. In the sixth C site, C(11) is bonded in a trigonal planar geometry to one C(16), one C(20), and one C(23) atom. The C(11)-C(16) bond length is 1.24 Å. The C(11)-C(20) bond length is 1.41 Å. The C(11)-C(23) bond length is 1.48 Å. In the seventh C site, C(12) is bonded in a distorted trigonal planar geometry to one C(21), one C(24), and one C(35) atom. The C(12)-C(21) bond length is 1.24 Å. The C(12)-C(24) bond length is 1.37 Å. The C(12)-C(35) bond length is 1.64 Å. In the eighth C site, C(13) is bonded in a trigonal planar geometry to one C(10), one C(2), and one C(7) atom. In the ninth C site, C(14) is bonded in a trigonal planar geometry to one C(17), one C(19), and one C(33) atom. The C(14)-C(17) bond length is 1.48 Å. The C(14)-C(19) bond length is 1.43 Å. The C(14)-C(33) bond length is 1.50 Å. In the tenth C site, C(17) is bonded in a distorted single-bond geometry to one C(14) and one H(8) atom. The C(17)-H(8) bond length is 0.93 Å. In the eleventh C site, C(18) is bonded in a trigonal planar geometry to one C(22), one C(25), and one C(34) atom. The C(18)-C(22) bond length is 1.47 Å. The C(18)-C(25) bond length is 1.43 Å. The C(18)-C(34) bond length is 1.42 Å. In the twelfth C site, C(25) is bonded in a distorted single-bond geometry to one C(18) and one H(20) atom. The C(25)-H(20) bond length is 0.93 Å. In the thirteenth C site, C(27) is bonded in a distorted bent 120 degrees geometry to one O(8) and one O(9) atom. The C(27)-O(8) bond length is 1.09 Å. The C(27)-O(9) bond length is 1.29 Å. In the fourteenth C site, C(29) is bonded in a distorted single-bond geometry to one C(5) and one H(24) atom. The C(29)-H(24) bond length is 0.93 Å. In the fifteenth C site, C(31) is bonded in a 2-coordinate geometry to one N(1) and one H(27) atom. The C(31)-N(1) bond length is 1.48 Å. The C(31)-H(27) bond length is 0.98 Å. In the sixteenth C site, C(33) is bonded in a bent 120 degrees geometry to one C(14), one O(2), and one O(4) atom. The C(33)-O(2) bond length is 1.16 Å. The C(33)-O(4) bond length is 1.30 Å. In the seventeenth C site, C(34) is bonded in a distorted water-like geometry to one C(18), one O(10), and one O(11) atom. The C(34)-O(10) bond length is 1.30 Å. The C(34)-O(11) bond length is 1.01 Å. In the eighteenth C site, C(35) is bonded in a 2-coordinate geometry to one C(12), one O(12), and one O(13) atom. The C(35)-O(12) bond length is 1.12 Å. The C(35)-O(13) bond length is 1.64 Å. In the nineteenth C site, C(28) is bonded in a 4-coordinate geometry to one C(30); one N(1); and two equivalent H(22,23) atoms. The C(28)-C(30) bond length is 1.49 Å. The C(28)-N(1) bond length is 1.49 Å. Both C(28)-H(22,23) bond lengths are 0.97 Å. In the twentieth C site, C(16) is bonded in a distorted single-bond geometry to one C(11) and one H(7) atom. The C(16)-H(7) bond length is 0.93 Å. In the twenty-first C site, C(19) is bonded in a distorted trigonal planar geometry to one C(14), one C(7), and one H(9) atom. The C(19)-H(9) bond length is 0.93 Å. In the twenty-second C site, C(20) is bonded in a distorted single-bond geometry to one C(11) and one H(10) atom. The C(20)-H(10) bond length is 0.93 Å. In the twenty-third C site, C(21) is bonded in a distorted single-bond geometry to one C(12) and one H(13) atom. The C(21)-H(13) bond length is 0.93 Å. In the twenty-fourth C site, C(22) is bonded in a distorted single-bond geometry to one C(18) and one H(14) atom. The C(22)-H(14) bond length is 0.93 Å. In the twenty-fifth C site, C(30) is bonded in a distorted water-like geometry to one C(28) and two equivalent H(25,26) atoms. Both C(30)-H(25,26) bond lengths are 0.97 Å. In the twenty-sixth C site, C(23) is bonded in a bent 120 degrees geometry to one C(11), one O(1), and one O(3) atom. The C(23)-O(1) bond length is 1.36 Å. The C(23)-O(3) bond length is 1.31 Å. In the twenty-seventh C site, C(24) is bonded in a distorted single-bond geometry to one C(12) and one H(15) atom. The C(24)-H(15) bond length is 0.93 Å. N(1) is bonded in a trigonal non-coplanar geometry to one Ni(2), one C(28), and one C(31) atom. There are twenty inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one C(7) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(9) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(10) atom. In the fourth H site, H(7) is bonded in a single-bond geometry to one C(16) atom. In the fifth H site, H(8) is bonded in a single-bond geometry to one C(17) atom. In the sixth H site, H(9) is bonded in a single-bond geometry to one C(19) atom. In the seventh H site, H(10) is bonded in a single-bond geometry to one C(20) atom. In the eighth H site, H(11,12) is bonded in a single-bond geometry to one O(5) atom. The H(11,12)-O(5) bond length is 0.97 Å. In the ninth H site, H(13) is bonded in a single-bond geometry to one C(21) atom. In the tenth H site, H(14) is bonded in a single-bond geometry to one C(22) atom. In the eleventh H site, H(15) is bonded in a single-bond geometry to one C(24) atom. In the twelfth H site, H(16) is bonded in a single-bond geometry to one O(6) atom. The H(16)-O(6) bond length is 0.97 Å. In the thirteenth H site, H(17) is bonded in a single-bond geometry to one O(6) atom. The H(17)-O(6) bond length is 0.97 Å. In the fourteenth H site, H(18) is bonded in a single-bond geometry to one O(7) atom. The H(18)-O(7) bond length is 0.97 Å. In the fifteenth H site, H(19) is bonded in a single-bond geometry to one O(7) atom. The H(19)-O(7) bond length is 0.97 Å. In the sixteenth H site, H(20) is bonded in a single-bond geometry to one C(25) atom. In the seventeenth H site, H(22,23) is bonded in a single-bond geometry to one C(28) atom. In the eighteenth H site, H(24) is bonded in a single-bond geometry to one C(29) atom. In the nineteenth H site, H(25,26) is bonded in a single-bond geometry to one C(30) atom. In the twentieth H site, H(27) is bonded in a single-bond geometry to one C(31) atom. There are thirteen inequivalent O sites. In the first O site, O(9) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(3), and one C(27) atom. In the second O site, O(10) is bonded in a single-bond geometry to one C(34) atom. In the third O site, O(11) is bonded in a distorted single-bond geometry to one Ni(1) and one C(34) atom. In the fourth O site, O(12) is bonded in a distorted single-bond geometry to one C(35) atom. In the fifth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ni(3) and one C(23) atom. In the sixth O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(3) and one C(33) atom. In the seventh O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one C(23) atom. In the eighth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one C(33) atom. In the ninth O site, O(13) is bonded in a water-like geometry to one Ni(2) and one C(35) atom. In the tenth O site, O(5) is bonded in a distorted water-like geometry to one Ni(1); one Ni(3); and two equivalent H(11,12) atoms. In the eleventh O site, O(6) is bonded in a distorted water-like geometry to one Ni(2), one Ni(3), one H(16), and one H(17) atom. In the twelfth O site, O(7) is bonded in a distorted water-like geometry to one Ni(1), one Ni(3), one H(18), and one H(19) atom. In the thirteenth O site, O(8) is bonded in a single-bond geometry to one C(27) atom. Linkers: 2 [O]C(=O)c1ccc([C]([C](c2ccc(C([O])=O)cc2)c2ccc(C([O])=O)cc2)c2ccc(C([O])=O)cc2)cc1 ,2 [O]C(=O)c1ccc(C(=C(c2ccc(C([O])=O)cc2)c2ccc(C([O])=O)cc2)c2ccc(C([O])=O)cc2)cc1. Metal clusters: 12 [Ni]. The MOF has largest included sphere 10.17 A, density 0.90 g/cm3, surface area 4238.89 m2/g, accessible volume 0.64 cm3/g