Ni5H38(C31O7)2 is Indium-like structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of nine Ni5H38(C31O7)2 clusters. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(5), and one O(6) atom. The Ni(1)-O(1) bond length is 2.00 Å. The Ni(1)-O(2) bond length is 2.06 Å. The Ni(1)-O(5) bond length is 2.16 Å. The Ni(1)-O(6) bond length is 2.01 Å. In the second Ni site, Ni(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(7) atom. The Ni(2)-O(1) bond length is 2.00 Å. The Ni(2)-O(3) bond length is 2.16 Å. The Ni(2)-O(4) bond length is 2.05 Å. The Ni(2)-O(7) bond length is 2.01 Å. In the third Ni site, Ni(3) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. Both Ni(3)-O(1) bond lengths are 2.01 Å. Both Ni(3)-O(3) bond lengths are 2.09 Å. Both Ni(3)-O(5) bond lengths are 2.09 Å. There are thirty-one inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(7) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-C(6) bond length is 1.41 Å. The C(1)-C(7) bond length is 1.46 Å. In the second C site, C(2) is bonded in a single-bond geometry to one C(1), one C(3), and one H(1) atom. The C(2)-C(3) bond length is 1.37 Å. The C(2)-H(1) bond length is 0.93 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(19), one C(2), and one C(4) atom. The C(3)-C(19) bond length is 1.49 Å. The C(3)-C(4) bond length is 1.40 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(2) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-H(2) bond length is 0.93 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(13), one C(4), and one C(6) atom. The C(5)-C(13) bond length is 1.50 Å. The C(5)-C(6) bond length is 1.37 Å. In the sixth C site, C(6) is bonded in a single-bond geometry to one C(1), one C(5), and one H(3) atom. The C(6)-H(3) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a 5-coordinate geometry to one C(1), one C(11), one C(29), one C(30), and one C(8) atom. The C(7)-C(11) bond length is 1.40 Å. The C(7)-C(29) bond length is 1.38 Å. The C(7)-C(30) bond length is 1.38 Å. The C(7)-C(8) bond length is 1.40 Å. In the eighth C site, C(8) is bonded in a 2-coordinate geometry to one C(30), one C(7), and one H(4) atom. The C(8)-C(30) bond length is 1.11 Å. The C(8)-H(4) bond length is 0.93 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(12), one C(31), and one H(5) atom. The C(9)-C(12) bond length is 1.43 Å. The C(9)-C(31) bond length is 1.06 Å. The C(9)-H(5) bond length is 0.93 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(12), one C(28), and one H(6) atom. The C(10)-C(12) bond length is 1.42 Å. The C(10)-C(28) bond length is 1.08 Å. The C(10)-H(6) bond length is 0.93 Å. In the eleventh C site, C(11) is bonded in a 2-coordinate geometry to one C(29), one C(7), and one H(7) atom. The C(11)-C(29) bond length is 1.13 Å. The C(11)-H(7) bond length is 0.93 Å. In the twelfth C site, C(12) is bonded in a 5-coordinate geometry to one C(10), one C(27), one C(28), one C(31), and one C(9) atom. The C(12)-C(27) bond length is 1.49 Å. The C(12)-C(28) bond length is 1.34 Å. The C(12)-C(31) bond length is 1.35 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(14), one C(18), and one C(5) atom. The C(13)-C(14) bond length is 1.35 Å. The C(13)-C(18) bond length is 1.39 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13) and one H(8) atom. The C(14)-H(8) bond length is 0.93 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(16) and one H(9) atom. The C(15)-C(16) bond length is 1.40 Å. The C(15)-H(9) bond length is 0.93 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(25) atom. The C(16)-C(17) bond length is 1.36 Å. The C(16)-C(25) bond length is 1.51 Å. In the seventeenth C site, C(18) is bonded in a distorted single-bond geometry to one C(13) and one H(11) atom. The C(18)-H(11) bond length is 0.93 Å. In the eighteenth C site, C(19) is bonded in a trigonal planar geometry to one C(20), one C(24), and one C(3) atom. The C(19)-C(20) bond length is 1.36 Å. The C(19)-C(24) bond length is 1.39 Å. In the nineteenth C site, C(20) is bonded in a distorted single-bond geometry to one C(19) and one H(12) atom. The C(20)-H(12) bond length is 0.93 Å. In the twentieth C site, C(17) is bonded in a single-bond geometry to one C(16) and one H(10) atom. The C(17)-H(10) bond length is 0.93 Å. In the twenty-first C site, C(21) is bonded in a distorted single-bond geometry to one C(22) and one H(13) atom. The C(21)-C(22) bond length is 1.39 Å. The C(21)-H(13) bond length is 0.93 Å. In the twenty-second C site, C(22) is bonded in a trigonal planar geometry to one C(21), one C(23), and one C(26) atom. The C(22)-C(23) bond length is 1.36 Å. The C(22)-C(26) bond length is 1.51 Å. In the twenty-third C site, C(24) is bonded in a distorted single-bond geometry to one C(19) and one H(15) atom. The C(24)-H(15) bond length is 0.93 Å. In the twenty-fourth C site, C(25) is bonded in a bent 120 degrees geometry to one C(16), one O(2), and one O(3) atom. The C(25)-O(2) bond length is 1.23 Å. The C(25)-O(3) bond length is 1.29 Å. In the twenty-fifth C site, C(23) is bonded in a single-bond geometry to one C(22) and one H(14) atom. The C(23)-H(14) bond length is 0.93 Å. In the twenty-sixth C site, C(27) is bonded in a distorted trigonal planar geometry to one C(12), one O(6), and one O(7) atom. The C(27)-O(6) bond length is 1.26 Å. The C(27)-O(7) bond length is 1.25 Å. In the twenty-seventh C site, C(28) is bonded in a 4-coordinate geometry to one C(10), one C(12), one C(29), and one H(16) atom. The C(28)-C(29) bond length is 1.39 Å. The C(28)-H(16) bond length is 0.93 Å. In the twenty-eighth C site, C(29) is bonded in a 4-coordinate geometry to one C(11), one C(28), one C(7), and one H(17) atom. The C(29)-H(17) bond length is 0.93 Å. In the twenty-ninth C site, C(30) is bonded in a 2-coordinate geometry to one C(7), one C(8), and one H(18) atom. The C(30)-H(18) bond length is 0.93 Å. In the thirtieth C site, C(31) is bonded in a distorted water-like geometry to one C(12), one C(9), and one H(19) atom. The C(31)-H(19) bond length is 0.93 Å. In the thirty-first C site, C(26) is bonded in a bent 120 degrees geometry to one C(22), one O(4), and one O(5) atom. The C(26)-O(4) bond length is 1.23 Å. The C(26)-O(5) bond length is 1.29 Å. There are nineteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(15) atom. In the sixth H site, H(10) is bonded in a single-bond geometry to one C(17) atom. In the seventh H site, H(13) is bonded in a single-bond geometry to one C(21) atom. In the eighth H site, H(14) is bonded in a single-bond geometry to one C(23) atom. In the ninth H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the tenth H site, H(8) is bonded in a single-bond geometry to one C(14) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(18) atom. In the twelfth H site, H(12) 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(24) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one C(28) atom. In the fifteenth H site, H(17) is bonded in a single-bond geometry to one C(29) atom. In the sixteenth H site, H(18) is bonded in a single-bond geometry to one C(30) atom. In the seventeenth H site, H(19) is bonded in a single-bond geometry to one C(31) atom. In the eighteenth H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the nineteenth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), and one Ni(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ni(1) and one C(25) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one C(25) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ni(2) and one C(26) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one C(26) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ni(1) and one C(27) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ni(2) and one C(27) atom. Linkers: 9 [CH]1[C@@H]2[C]3[C@@H]4[C@H]3[C@H]3[C@@H]4[C@@]34[C@@H]2[C@@H]14.[O]C(=O)c1ccc(-c2c[c]cc(-c3ccc(C([O])=O)cc3)c2)cc1.[O][C]=O ,9 [CH]1[C@H]2[C]3[C@@H]4[C@H]3[C@H]3[C@@H]4[C@@]34[C@H]2[C@H]14.[O]C(=O)c1ccc(-c2c[c]cc(-c3ccc(C([O])=O)cc3)c2)cc1.[O][C]=O. Metal clusters: 9 [C]1O[Ni]2O[C]O[Ni]3(O[C]O[Ni](O1)O2)O[C]O[Ni]1O[C]O[Ni](O[C]O3)O1. RCSR code: eea. The MOF has largest included sphere 23.95 A, density 0.39 g/cm3, surface area 3826.46 m2/g, accessible volume 2.09 cm3/g