CuC4N3H7OCH crystallizes in the trigonal R-3 space group. The structure consists of eighteen 02329_fluka molecules inside a CuC4N3H7O framework. In the CuC4N3H7O framework, Cu(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), and two equivalent O(1) atoms. The Cu(1)-N(1) bond length is 1.97 Å. The Cu(1)-N(2) bond length is 2.09 Å. There is one shorter (1.92 Å) and one longer (1.97 Å) Cu(1)-O(1) bond length. There are four inequivalent C sites. In the first C site, C(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(1) atom. The C(2)-N(1) bond length is 1.33 Å. The C(2)-N(2) bond length is 1.33 Å. The C(2)-H(1) bond length is 0.95 Å. In the second C site, C(3) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(3) atom. The C(3)-N(1) bond length is 1.37 Å. The C(3)-H(3) bond length is 0.95 Å. In the third C site, C(4) is bonded in a distorted bent 120 degrees geometry to one N(2) and one N(3) atom. The C(4)-N(2) bond length is 1.37 Å. The C(4)-N(3) bond length is 1.31 Å. In the fourth C site, C(5) is bonded in a tetrahedral geometry to one H(6), one H(7), one H(8), and one O(1) atom. The C(5)-H(6) bond length is 1.05 Å. The C(5)-H(7) bond length is 1.00 Å. The C(5)-H(8) bond length is 0.92 Å. The C(5)-O(1) bond length is 1.43 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(2), and one C(3) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(2), and one C(4) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(4), one H(4), and one H(5) atom. The N(3)-H(4) bond length is 0.95 Å. The N(3)-H(5) bond length is 0.95 Å. There are seven 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(3) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(4) is bonded in a single-bond geometry to one N(3) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one N(3) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(5) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(5) atom. O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one C(5) atom. Linkers: 5 Nc1ccncn1. Metal clusters: 4 [Cu] ,1 CO[Cu].CO[Cu]. The MOF has largest included sphere 8.05 A, density 1.09 g/cm3, surface area 4183.04 m2/g, accessible volume 0.51 cm3/g