V2Cu2C21H21(NO)6 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one V2Cu2C21H21(NO)6 cluster. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form corner-sharing VO4 tetrahedra. The V(1)-O(2) bond length is 1.67 Å. The V(1)-O(3) bond length is 1.82 Å. The V(1)-O(4) bond length is 1.64 Å. The V(1)-O(6) bond length is 1.82 Å. In the second V site, V(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form corner-sharing VO4 tetrahedra. The V(2)-O(1) bond length is 1.72 Å. The V(2)-O(3) bond length is 1.79 Å. The V(2)-O(5) bond length is 1.64 Å. The V(2)-O(6) bond length is 1.79 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a T-shaped geometry to one N(1), one N(6), and one O(2) atom. The Cu(1)-N(1) bond length is 1.89 Å. The Cu(1)-N(6) bond length is 1.89 Å. The Cu(1)-O(2) bond length is 2.11 Å. In the second Cu site, Cu(2) is bonded in a linear geometry to one N(3) and one O(1) atom. The Cu(2)-N(3) bond length is 1.84 Å. The Cu(2)-O(1) bond length is 1.80 Å. There are twenty-one inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(17), one N(6), and one H(1) atom. The C(1)-C(17) bond length is 1.37 Å. The C(1)-N(6) bond length is 1.39 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(15), one N(2), and one H(2) atom. The C(2)-C(15) bond length is 1.37 Å. The C(2)-N(2) bond length is 1.38 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(7), one N(1), and one H(3) atom. The C(3)-C(7) bond length is 1.37 Å. The C(3)-N(1) bond length is 1.38 Å. The C(3)-H(3) bond length is 1.08 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(12), one C(5), and one C(6) atom. The C(4)-C(12) bond length is 1.40 Å. The C(4)-C(5) bond length is 1.40 Å. The C(4)-C(6) bond length is 1.51 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(6) is bonded in a distorted trigonal non-coplanar geometry to one C(4), one N(5), one H(5), and one H(6) atom. The C(6)-N(5) bond length is 1.47 Å. The C(6)-H(5) bond length is 1.10 Å. The C(6)-H(6) bond length is 1.10 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(3), one N(5), and one H(7) atom. The C(7)-N(5) bond length is 1.38 Å. The C(7)-H(7) bond length is 1.08 Å. In the eighth C site, C(8) is bonded in a distorted trigonal non-coplanar geometry to one C(14), one N(4), one H(8), and one H(9) atom. The C(8)-C(14) bond length is 1.51 Å. The C(8)-N(4) bond length is 1.47 Å. The C(8)-H(8) bond length is 1.10 Å. The C(8)-H(9) bond length is 1.10 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(14) and one H(10,17) atom. The C(9)-C(14) bond length is 1.40 Å. The C(9)-H(10,17) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one N(1), one N(5), and one H(11) atom. The C(10)-N(1) bond length is 1.34 Å. The C(10)-N(5) bond length is 1.36 Å. The C(10)-H(11) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one N(2), one N(3), and one H(12) atom. The C(11)-N(2) bond length is 1.35 Å. The C(11)-N(3) bond length is 1.34 Å. The C(11)-H(12) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(4) and one H(13) atom. The C(12)-H(13) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(16) and one H(14) atom. The C(13)-C(16) bond length is 1.40 Å. The C(13)-H(14) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one C(18), one C(8), and one C(9) atom. The C(14)-C(18) bond length is 1.40 Å. In the fifteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(3), and one H(15) atom. The C(15)-N(3) bond length is 1.39 Å. The C(15)-H(15) bond length is 1.08 Å. In the sixteenth C site, C(16) is bonded in a trigonal planar geometry to one C(13), one C(19), and one C(20) atom. The C(16)-C(19) bond length is 1.40 Å. The C(16)-C(20) bond length is 1.51 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(1), one N(4), and one H(16) atom. The C(17)-N(4) bond length is 1.38 Å. The C(17)-H(16) bond length is 1.09 Å. In the eighteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(14) and one H(10,17) atom. The C(18)-H(10,17) bond length is 1.09 Å. In the nineteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(16) and one H(18) atom. The C(19)-H(18) bond length is 1.09 Å. In the twentieth C site, C(20) is bonded in a distorted trigonal non-coplanar geometry to one C(16), one N(2), one H(19), and one H(20) atom. The C(20)-N(2) bond length is 1.47 Å. The C(20)-H(19) bond length is 1.10 Å. The C(20)-H(20) bond length is 1.10 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one N(4), one N(6), and one H(21) atom. The C(21)-N(4) bond length is 1.36 Å. The C(21)-N(6) bond length is 1.34 Å. The C(21)-H(21) bond length is 1.08 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(10), and one C(3) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(11), one C(2), and one C(20) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(2), one C(11), and one C(15) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(17), one C(21), and one C(8) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(10), one C(6), and one C(7) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(21) atom. There are twenty 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(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(7) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(8) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(8) atom. In the tenth H site, H(10,17) is bonded in a single-bond geometry to one C(9) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(10) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(11) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(12) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(13) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(15) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(17) atom. In the seventeenth H site, H(18) is bonded in a single-bond geometry to one C(19) atom. In the eighteenth H site, H(19) is bonded in a single-bond geometry to one C(20) atom. In the nineteenth H site, H(20) is bonded in a single-bond geometry to one C(20) atom. In the twentieth H site, H(21) is bonded in a single-bond geometry to one C(21) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(2) and one Cu(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one V(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. Linkers: 2 [c]1cn(Cc2ccc(Cn3ccnc3)cc2)cn1 ,3 c1cn(Cc2ccc(Cn3ccnc3)cc2)cn1. Metal clusters: 1 [O][V@]1(O[Cu])O[V@]([O])(O[Cu])O[V@]([O])(O[Cu])O[V@@]([O])(O[Cu])O1. The MOF has largest included sphere 2.03 A, density 1.90 g/cm3, surface area 3932.26 m2/g, accessible volume 0.11 cm3/g