Ni3(C4H4N2)3(V8O23) crystallizes in the triclinic P1 space group. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Ni(2)N2O4 octahedra,  a cornercorner with one Ni(3)N2O4 octahedra,  a cornercorner with one V(3)O4 tetrahedra, and  a cornercorner with one V(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-47°. The V(1)-O(1) bond length is 1.83 Å. The V(1)-O(3) bond length is 1.66 Å. The V(1)-O(5) bond length is 1.79 Å. The V(1)-O(8) bond length is 1.67 Å. In the second V site, V(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one Ni(2)N2O4 octahedra,  a cornercorner with one Ni(3)N2O4 octahedra,  a cornercorner with one V(4)O4 tetrahedra, and  a cornercorner with one V(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-47°. The V(2)-O(2) bond length is 1.83 Å. The V(2)-O(4) bond length is 1.66 Å. The V(2)-O(6) bond length is 1.79 Å. The V(2)-O(7) bond length is 1.67 Å. In the third V site, V(3) is bonded to one O(11), one O(19), one O(5), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Ni(1)N2O4 octahedra,  a cornercorner with one Ni(2)N2O4 octahedra,  a cornercorner with one V(1)O4 tetrahedra, and  a cornercorner with one V(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-46°. The V(3)-O(11) bond length is 1.67 Å. The V(3)-O(19) bond length is 1.65 Å. The V(3)-O(5) bond length is 1.79 Å. The V(3)-O(9) bond length is 1.82 Å. In the fourth V site, V(4) is bonded to one O(10), one O(12), one O(20), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Ni(1)N2O4 octahedra,  a cornercorner with one Ni(3)N2O4 octahedra,  a cornercorner with one V(2)O4 tetrahedra, and  a cornercorner with one V(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-45°. The V(4)-O(10) bond length is 1.82 Å. The V(4)-O(12) bond length is 1.67 Å. The V(4)-O(20) bond length is 1.66 Å. The V(4)-O(6) bond length is 1.79 Å. In the fifth V site, V(5) is bonded to one O(13), one O(15), one O(21), and one O(23) atom to form VO4 tetrahedra that share  a cornercorner with one Ni(1)N2O4 octahedra,  a cornercorner with one Ni(2)N2O4 octahedra,  a cornercorner with one V(6)O4 tetrahedra, and  a cornercorner with one V(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-34°. The V(5)-O(13) bond length is 1.65 Å. The V(5)-O(15) bond length is 1.82 Å. The V(5)-O(21) bond length is 1.67 Å. The V(5)-O(23) bond length is 1.79 Å. In the sixth V site, V(6) is bonded to one O(14), one O(16), one O(22), and one O(23) atom to form VO4 tetrahedra that share  a cornercorner with one Ni(1)N2O4 octahedra,  a cornercorner with one Ni(3)N2O4 octahedra,  a cornercorner with one V(5)O4 tetrahedra, and  a cornercorner with one V(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-34°. The V(6)-O(14) bond length is 1.65 Å. The V(6)-O(16) bond length is 1.82 Å. The V(6)-O(22) bond length is 1.67 Å. The V(6)-O(23) bond length is 1.79 Å. In the seventh V site, V(7) is bonded to one O(1), one O(15), one O(17), and one O(9) atom to form corner-sharing VO4 tetrahedra. The V(7)-O(1) bond length is 1.77 Å. The V(7)-O(15) bond length is 1.78 Å. The V(7)-O(17) bond length is 1.61 Å. The V(7)-O(9) bond length is 1.77 Å. In the eighth V site, V(8) is bonded to one O(10), one O(16), one O(18), and one O(2) atom to form corner-sharing VO4 tetrahedra. The V(8)-O(10) bond length is 1.77 Å. The V(8)-O(16) bond length is 1.78 Å. The V(8)-O(18) bond length is 1.61 Å. The V(8)-O(2) bond length is 1.77 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one N(3), one N(4), one O(11), one O(12), one O(13), and one O(14) atom to form NiN2O4 octahedra that share  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra,  a cornercorner with one V(5)O4 tetrahedra, and  a cornercorner with one V(6)O4 tetrahedra. The Ni(1)-N(3) bond length is 2.06 Å. The Ni(1)-N(4) bond length is 2.07 Å. The Ni(1)-O(11) bond length is 2.03 Å. The Ni(1)-O(12) bond length is 2.02 Å. The Ni(1)-O(13) bond length is 1.97 Å. The Ni(1)-O(14) bond length is 1.97 Å. In the second Ni site, Ni(2) is bonded to one N(1), one N(5), one O(19), one O(21), one O(3), and one O(7) atom to form NiN2O4 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra, and  a cornercorner with one V(5)O4 tetrahedra. The Ni(2)-N(1) bond length is 2.04 Å. The Ni(2)-N(5) bond length is 2.06 Å. The Ni(2)-O(19) bond length is 2.06 Å. The Ni(2)-O(21) bond length is 2.00 Å. The Ni(2)-O(3) bond length is 2.03 Å. The Ni(2)-O(7) bond length is 2.01 Å. In the third Ni site, Ni(3) is bonded to one N(2), one N(6), one O(20), one O(22), one O(4), and one O(8) atom to form NiN2O4 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, and  a cornercorner with one V(6)O4 tetrahedra. The Ni(3)-N(2) bond length is 2.03 Å. The Ni(3)-N(6) bond length is 2.06 Å. The Ni(3)-O(20) bond length is 2.05 Å. The Ni(3)-O(22) bond length is 1.99 Å. The Ni(3)-O(4) bond length is 2.02 Å. The Ni(3)-O(8) bond length is 2.00 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1,2) atom. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1,2) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(1,2) atom. The C(2)-N(2) bond length is 1.34 Å. The C(2)-H(1,2) bond length is 1.09 Å. In the third C site, C(3,4) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(3,5) atom. The C(3,4)-N(3) bond length is 1.34 Å. The C(3,4)-H(3,5) bond length is 1.09 Å. In the fourth C site, C(5,6) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(3,5) atom. The C(5,6)-N(3) bond length is 1.34 Å. The C(5,6)-H(3,5) bond length is 1.09 Å. In the fifth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(7,8) atom. The C(7)-N(1) bond length is 1.34 Å. The C(7)-H(7,8) bond length is 1.09 Å. In the sixth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(7,8) atom. The C(8)-N(2) bond length is 1.34 Å. The C(8)-H(7,8) bond length is 1.09 Å. In the seventh C site, C(9) is bonded in a distorted trigonal planar geometry to one C(12), one N(5), and one H(9) atom. The C(9)-C(12) bond length is 1.39 Å. The C(9)-N(5) bond length is 1.34 Å. The C(9)-H(9) bond length is 1.09 Å. In the eighth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one N(6), and one H(10) atom. The C(10)-C(11) bond length is 1.39 Å. The C(10)-N(6) bond length is 1.34 Å. The C(10)-H(10) bond length is 1.09 Å. In the ninth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(10), one N(5), and one H(11) atom. The C(11)-N(5) bond length is 1.34 Å. The C(11)-H(11) bond length is 1.09 Å. In the tenth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(6), and one H(12) atom. The C(12)-N(6) bond length is 1.34 Å. The C(12)-H(12) bond length is 1.09 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Ni(2), one C(1), and one C(7) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ni(3), one C(2), and one C(8) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Ni(1); one C(3,4); and one C(5,6) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Ni(1); one C(3,4); and one C(5,6) atom. The N(4)-C(3,4) bond length is 1.34 Å. The N(4)-C(5,6) bond length is 1.34 Å. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Ni(2), one C(11), and one C(9) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Ni(3), one C(10), and one C(12) atom. There are nine inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(3,5) is bonded in a single-bond geometry to one C(3,4) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(3,4) atom. The H(4)-C(3,4) bond length is 1.09 Å. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(5,6) atom. The H(6)-C(5,6) bond length is 1.09 Å. In the fifth H site, H(7,8) is bonded in a single-bond geometry to one C(7) atom. In the sixth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(10) is bonded in a single-bond geometry to one C(10) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(11) atom. In the ninth H site, H(12) is bonded in a single-bond geometry to one C(12) atom. There are twenty-three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(8) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Ni(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one Ni(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one V(2) and one V(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one V(2) and one Ni(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one V(1) and one Ni(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one V(3) and one V(7) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one V(4) and one V(8) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one V(3) and one Ni(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one V(4) and one Ni(1) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one V(5) and one Ni(1) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one V(6) and one Ni(1) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one V(5) and one V(7) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one V(6) and one V(8) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one V(7) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one V(8) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one V(3) and one Ni(2) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one V(4) and one Ni(3) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one V(5) and one Ni(2) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one V(6) and one Ni(3) atom. In the twenty-third O site, O(23) is bonded in a linear geometry to one V(5) and one V(6) atom. Linkers: 3 c1cnccn1. Metal clusters: 8 [V] ,3 [Ni]. The MOF has largest included sphere 2.68 A, density 2.51 g/cm3, surface area 2307.31 m2/g, accessible volume 0.09 cm3/g