(Mo4C12N4H11O13)2NiH20(C3N)8 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Mo4C12N4H11O13 cluster and one NiH20(C3N)8 cluster. In the Mo4C12N4H11O13 cluster, there are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and two equivalent O(10) atoms. The Mo(1)-O(1) bond length is 1.72 Å. The Mo(1)-O(2) bond length is 1.76 Å. The Mo(1)-O(3) bond length is 1.89 Å. The Mo(1)-O(6) bond length is 2.22 Å. There is one shorter (1.95 Å) and one longer (2.47 Å) Mo(1)-O(10) bond length. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one N(7), one O(12), one O(3), one O(4), one O(5), and one O(6) atom. The Mo(2)-N(7) bond length is 2.24 Å. The Mo(2)-O(12) bond length is 1.90 Å. The Mo(2)-O(3) bond length is 2.30 Å. The Mo(2)-O(4) bond length is 1.74 Å. The Mo(2)-O(5) bond length is 1.72 Å. The Mo(2)-O(6) bond length is 2.07 Å. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(6), one O(7), one O(8), and one O(9) atom. The Mo(3)-O(10) bond length is 2.25 Å. The Mo(3)-O(2) bond length is 2.41 Å. The Mo(3)-O(6) bond length is 1.93 Å. The Mo(3)-O(7) bond length is 1.73 Å. The Mo(3)-O(8) bond length is 1.72 Å. The Mo(3)-O(9) bond length is 1.95 Å. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(3), and one O(9) atom. The Mo(4)-O(10) bond length is 2.29 Å. The Mo(4)-O(11) bond length is 1.72 Å. The Mo(4)-O(12) bond length is 2.04 Å. The Mo(4)-O(13) bond length is 1.73 Å. The Mo(4)-O(3) bond length is 2.25 Å. The Mo(4)-O(9) bond length is 1.92 Å. There are twelve inequivalent C sites. In the first C site, C(6) is bonded in a distorted single-bond geometry to one C(7) and one H(5,6) atom. The C(6)-C(7) bond length is 1.40 Å. The C(6)-H(5,6) bond length is 1.09 Å. In the second C site, C(7) is bonded in a distorted trigonal planar geometry to one C(6), one C(8), and one N(4) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-N(4) bond length is 1.43 Å. In the third C site, C(8) is bonded in a distorted single-bond geometry to one C(7) and one H(5,6) atom. The C(8)-H(5,6) bond length is 1.09 Å. In the fourth C site, C(10) is bonded in a trigonal planar geometry to one N(1), one N(4), and one H(8) atom. The C(10)-N(1) bond length is 1.33 Å. The C(10)-N(4) bond length is 1.35 Å. The C(10)-H(8) bond length is 1.09 Å. In the fifth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(24), one N(4), and one H(10) atom. The C(11)-C(24) bond length is 1.37 Å. The C(11)-N(4) bond length is 1.39 Å. The C(11)-H(10) bond length is 1.08 Å. In the sixth C site, C(18) is bonded in a trigonal planar geometry to one N(7), one N(8), and one H(16) atom. The C(18)-N(7) bond length is 1.33 Å. The C(18)-N(8) bond length is 1.36 Å. The C(18)-H(16) bond length is 1.08 Å. In the seventh C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(20), one N(7), and one H(17) atom. The C(19)-C(20) bond length is 1.37 Å. The C(19)-N(7) bond length is 1.38 Å. The C(19)-H(17) bond length is 1.08 Å. In the eighth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(19), one N(8), and one H(18) atom. The C(20)-N(8) bond length is 1.39 Å. The C(20)-H(18) bond length is 1.09 Å. In the ninth C site, C(21) is bonded in a distorted trigonal planar geometry to one C(22), one C(23), and one N(8) atom. The C(21)-C(22) bond length is 1.40 Å. The C(21)-C(23) bond length is 1.40 Å. The C(21)-N(8) bond length is 1.42 Å. In the tenth C site, C(22) is bonded in a distorted single-bond geometry to one C(21) and one H(19,20) atom. The C(22)-H(19,20) bond length is 1.09 Å. In the eleventh C site, C(23) is bonded in a distorted single-bond geometry to one C(21) and one H(19,20) atom. The C(23)-H(19,20) bond length is 1.09 Å. In the twelfth C site, C(24) is bonded in a distorted bent 120 degrees geometry to one C(11), one N(1), and one H(21) atom. The C(24)-N(1) bond length is 1.38 Å. The C(24)-H(21) bond length is 1.08 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(10), one C(24), and one H(9) atom. The N(1)-H(9) bond length is 1.07 Å. In the second N site, N(4) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(7) atom. In the third N site, N(7) is bonded in a distorted trigonal planar geometry to one Mo(2), one C(18), and one C(19) atom. In the fourth N site, N(8) is bonded in a trigonal planar geometry to one C(18), one C(20), and one C(21) atom. There are nine inequivalent H sites. In the first H site, H(5,6) is bonded in a single-bond geometry to one C(6) atom. In the second H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the third H site, H(9) is bonded in a linear geometry to one N(1) and one O(12) atom. The H(9)-O(12) bond length is 1.55 Å. In the fourth H site, H(10) is bonded in a single-bond geometry to one C(11) atom. In the fifth H site, H(16) is bonded in a single-bond geometry to one C(18) atom. In the sixth H site, H(17) is bonded in a single-bond geometry to one C(19) atom. In the seventh H site, H(18) is bonded in a single-bond geometry to one C(20) atom. In the eighth H site, H(19,20) is bonded in a single-bond geometry to one C(22) atom. In the ninth H site, H(21) is bonded in a single-bond geometry to one C(24) atom. There are thirteen inequivalent O sites. In the first O site, O(8) is bonded in a single-bond geometry to one Mo(3) atom. In the second O site, O(9) is bonded in a bent 120 degrees geometry to one Mo(3) and one Mo(4) atom. In the third O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Mo(3), one Mo(4), and two equivalent Mo(1) atoms. In the fourth O site, O(11) is bonded in a single-bond geometry to one Mo(4) atom. In the fifth O site, O(12) is bonded in a trigonal planar geometry to one Mo(2), one Mo(4), and one H(9) atom. In the sixth O site, O(13) is bonded in a single-bond geometry to one Mo(4) atom. In the seventh O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the eighth O site, O(2) is bonded in a distorted single-bond geometry to one Mo(1) and one Mo(3) atom. In the ninth O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(4) atom. In the tenth O site, O(4) is bonded in a distorted single-bond geometry to one Mo(2) atom. In the eleventh O site, O(5) is bonded in a single-bond geometry to one Mo(2) atom. In the twelfth O site, O(6) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the thirteenth O site, O(7) is bonded in a single-bond geometry to one Mo(3) atom. In the NiH20(C3N)8 cluster, Ni(1) is bonded in a distorted square co-planar geometry to two equivalent N(2) and two equivalent N(5) atoms. Both Ni(1)-N(2) bond lengths are 1.90 Å. Both Ni(1)-N(5) bond lengths are 1.90 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(2), one N(3), and one H(1) atom. The C(1)-N(2) bond length is 1.33 Å. The C(1)-N(3) bond length is 1.36 Å. The C(1)-H(1) bond length is 1.08 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(3), one N(2), and one H(2) atom. The C(2)-C(3) bond length is 1.37 Å. The C(2)-N(2) bond length is 1.39 Å. The C(2)-H(2) bond length is 1.08 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(3), and one H(3) atom. The C(3)-N(3) bond length is 1.39 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(5), one C(9), and one N(3) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-C(9) bond length is 1.39 Å. The C(4)-N(3) bond length is 1.42 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one H(4) atom. The C(5)-H(4) bond length is 1.09 Å. In the sixth C site, C(9) is bonded in a distorted single-bond geometry to one C(4) and one H(7) atom. The C(9)-H(7) bond length is 1.09 Å. In the seventh C site, C(12) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(11) atom. The C(12)-N(5) bond length is 1.33 Å. The C(12)-N(6) bond length is 1.37 Å. The C(12)-H(11) bond length is 1.09 Å. In the eighth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(14), one N(5), and one H(12) atom. The C(13)-C(14) bond length is 1.37 Å. The C(13)-N(5) bond length is 1.38 Å. The C(13)-H(12) bond length is 1.08 Å. In the ninth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(13), one N(6), and one H(13) atom. The C(14)-N(6) bond length is 1.39 Å. The C(14)-H(13) bond length is 1.09 Å. In the tenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(16), one C(17), and one N(6) atom. The C(15)-C(16) bond length is 1.40 Å. The C(15)-C(17) bond length is 1.40 Å. The C(15)-N(6) bond length is 1.43 Å. In the eleventh C site, C(16) is bonded in a distorted single-bond geometry to one C(15) and one H(14,15) atom. The C(16)-H(14,15) bond length is 1.09 Å. In the twelfth C site, C(17) is bonded in a distorted single-bond geometry to one C(15) and one H(14,15) atom. The C(17)-H(14,15) bond length is 1.09 Å. There are four inequivalent N sites. In the first N site, N(2) is bonded in a trigonal planar geometry to one Ni(1), one C(1), and one C(2) atom. In the second N site, N(3) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. In the third N site, N(5) is bonded in a trigonal planar geometry to one Ni(1), one C(12), and one C(13) atom. In the fourth N site, N(6) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(15) atom. There are nine 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) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(11) is bonded in a single-bond geometry to one C(12) atom. In the seventh H site, H(12) is bonded in a single-bond geometry to one C(13) atom. In the eighth H site, H(13) is bonded in a single-bond geometry to one C(14) atom. In the ninth H site, H(14,15) is bonded in a single-bond geometry to one C(16) atom. Linkers: 2 c1cn(-c2ccc(-n3ccnc3)cc2)cn1. Metal clusters: 1 [Ni] ,1 [O][Mo]1([O])O[Mo]2([O])([O])O[Mo]34([O])([O])O[Mo]([O])([O])O[Mo]5([O])([O])O[Mo]([O])([O])(O1)(O[Mo@]([O])(O5)O3)O[Mo@]([O])(O2)O4. The MOF has largest included sphere 2.69 A, density 2.21 g/cm3, surface area 2897.76 m2/g, accessible volume 0.09 cm3/g