CuC4N3H4(CH3)2 crystallizes in the triclinic P-1 space group. The structure consists of twelve 02329_fluka molecules inside a CuC4N3H4 framework. In the CuC4N3H4 framework, there are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a trigonal planar geometry to one N(1), one N(4), and one N(8) atom. The Cu(1)-N(1) bond length is 1.96 Å. The Cu(1)-N(4) bond length is 1.93 Å. The Cu(1)-N(8) bond length is 1.94 Å. In the second Cu site, Cu(2) is bonded in a trigonal planar geometry to one N(2), one N(5), and one N(9) atom. The Cu(2)-N(2) bond length is 1.96 Å. The Cu(2)-N(5) bond length is 1.93 Å. The Cu(2)-N(9) bond length is 1.94 Å. In the third Cu site, Cu(3) is bonded in a trigonal planar geometry to one N(3), one N(6), and one N(7) atom. The Cu(3)-N(3) bond length is 1.96 Å. The Cu(3)-N(6) bond length is 1.93 Å. The Cu(3)-N(7) bond length is 1.94 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(4,6); one N(1); and one N(7) atom. The C(1)-C(4,6) bond length is 1.49 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-N(7) bond length is 1.36 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(5), one N(2), and one N(8) atom. The C(2)-C(5) bond length is 1.49 Å. The C(2)-N(2) bond length is 1.34 Å. The C(2)-N(8) bond length is 1.36 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4,6); one N(3); and one N(9) atom. The C(3)-C(4,6) bond length is 1.49 Å. The C(3)-N(3) bond length is 1.34 Å. The C(3)-N(9) bond length is 1.36 Å. In the fourth C site, C(4,6) is bonded in a distorted water-like geometry to one C(1); one H(1,2); and one H(4,5) atom. The C(4,6)-H(1,2) bond length is 1.10 Å. The C(4,6)-H(4,5) bond length is 1.10 Å. In the fifth C site, C(5) is bonded in a distorted water-like geometry to one C(2); one H(1,2); and one H(4,5) atom. The C(5)-H(1,2) bond length is 1.10 Å. The C(5)-H(4,5) bond length is 1.10 Å. In the sixth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(13,15); one N(4); and one N(7) atom. The C(10)-C(13,15) bond length is 1.49 Å. The C(10)-N(4) bond length is 1.34 Å. The C(10)-N(7) bond length is 1.36 Å. In the seventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(14), one N(5), and one N(8) atom. The C(11)-C(14) bond length is 1.49 Å. The C(11)-N(5) bond length is 1.34 Å. The C(11)-N(8) bond length is 1.36 Å. In the eighth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(13,15); one N(6); and one N(9) atom. The C(12)-C(13,15) bond length is 1.49 Å. The C(12)-N(6) bond length is 1.34 Å. The C(12)-N(9) bond length is 1.36 Å. In the ninth C site, C(13,15) is bonded in a distorted water-like geometry to one C(10); one H(16,18); and one H(19,20,21) atom. The C(13,15)-H(16,18) bond length is 1.10 Å. The C(13,15)-H(19,20,21) bond length is 1.10 Å. In the tenth C site, C(14) is bonded in a distorted water-like geometry to one C(11); one H(17); and one H(19,20,21) atom. The C(14)-H(17) bond length is 1.10 Å. The C(14)-H(19,20,21) bond length is 1.10 Å. There are nine inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Cu(1), one C(1), and one N(4) atom. The N(1)-N(4) bond length is 1.39 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Cu(2), one C(2), and one N(5) atom. The N(2)-N(5) bond length is 1.39 Å. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Cu(3), one C(3), and one N(6) atom. The N(3)-N(6) bond length is 1.39 Å. In the fourth N site, N(4) is bonded in a 2-coordinate geometry to one Cu(1), one C(10), and one N(1) atom. In the fifth N site, N(5) is bonded in a 2-coordinate geometry to one Cu(2), one C(11), and one N(2) atom. In the sixth N site, N(6) is bonded in a 2-coordinate geometry to one Cu(3), one C(12), and one N(3) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Cu(3), one C(1), and one C(10) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Cu(1), one C(11), and one C(2) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Cu(2), one C(12), and one C(3) atom. There are seven inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(4,6) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(4,6) atom. The H(3)-C(4,6) bond length is 1.10 Å. In the third H site, H(4,5) is bonded in a single-bond geometry to one C(4,6) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(4,6) atom. The H(6)-C(4,6) bond length is 1.10 Å. In the fifth H site, H(16,18) is bonded in a single-bond geometry to one C(13,15) atom. In the sixth H site, H(17) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(19,20,21) is bonded in a single-bond geometry to one C(13,15) atom. Linkers: 4 CCC1=NN=C(CC)[N]1 ,2 CCC1=NC(CC)=N[N]1. Metal clusters: 3 N1=N[Cu]=NN=[Cu]1. The MOF has largest included sphere 6.93 A, density 1.19 g/cm3, surface area 4957.87 m2/g, accessible volume 0.46 cm3/g