CuH4(C3N)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one C(2), two equivalent C(1), and one N(3) atom to form distorted edge-sharing CuC3N tetrahedra. The Cu(1)-C(2) bond length is 1.88 Å. There is one shorter (1.94 Å) and one longer (2.17 Å) Cu(1)-C(1) bond length. The Cu(1)-N(3) bond length is 2.07 Å. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to one N(1), one N(2), and one N(4) atom. The Cu(2)-N(1) bond length is 1.84 Å. The Cu(2)-N(2) bond length is 1.86 Å. The Cu(2)-N(4) bond length is 2.04 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one N(1) atom. The C(1)-N(1) bond length is 1.18 Å. In the second C site, C(2) is bonded in a linear geometry to one Cu(1) and one N(2) atom. The C(2)-N(2) bond length is 1.18 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(1) atom. The C(3)-N(4) bond length is 1.35 Å. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(5) and one H(2) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-H(2) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(8) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-C(8) bond length is 1.47 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(5), one C(7), and one H(3) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-H(3) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(6), one N(4), and one H(4) atom. The C(7)-N(4) bond length is 1.35 Å. The C(7)-H(4) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(10), one C(5), and one C(9) atom. The C(8)-C(10) bond length is 1.40 Å. The C(8)-C(9) bond length is 1.40 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(11), one C(8), and one H(5) atom. The C(9)-C(11) bond length is 1.39 Å. The C(9)-H(5) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(12), one C(8), and one H(6) atom. The C(10)-C(12) bond length is 1.39 Å. The C(10)-H(6) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(9), one N(3), and one H(7) atom. The C(11)-N(3) bond length is 1.35 Å. The C(11)-H(7) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(10), one N(3), and one H(8) atom. The C(12)-N(3) bond length is 1.35 Å. The C(12)-H(8) bond length is 1.09 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Cu(2) and one C(1) atom. In the second N site, N(2) is bonded in a linear geometry to one Cu(2) and one C(2) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(1), one C(11), and one C(12) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(2), one C(3), and one C(7) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(12) atom. Linkers: 4 c1cc(-c2ccncc2)ccn1. Metal clusters: 8 [Cu]. The MOF has largest included sphere 2.22 A, density 1.89 g/cm3, surface area 3930.40 m2/g, accessible volume 0.11 cm3/g