CuH6(C2N)3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure consists of a CuH6(C2N)3 framework. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a tetrahedral geometry to one C(2), one N(1), one N(3), and one N(6) atom. The Cu(1)-C(2) bond length is 1.88 Å. The Cu(1)-N(1) bond length is 1.97 Å. The Cu(1)-N(3) bond length is 2.10 Å. The Cu(1)-N(6) bond length is 2.10 Å. In the second Cu site, Cu(2) is bonded in a tetrahedral geometry to one C(1), one N(2), one N(4), and one N(5) atom. The Cu(2)-C(1) bond length is 1.88 Å. The Cu(2)-N(2) bond length is 1.97 Å. The Cu(2)-N(4) bond length is 2.11 Å. The Cu(2)-N(5) bond length is 2.10 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Cu(2) 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 trigonal planar geometry to one C(4), one C(5), and one N(3) atom. The C(3)-C(4) bond length is 1.49 Å. The C(3)-C(5) bond length is 1.40 Å. The C(3)-N(3) bond length is 1.36 Å. In the fourth C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one C(3), one H(1), one H(2), and one H(3) atom. The C(4)-H(1) bond length is 1.09 Å. The C(4)-H(2) bond length is 1.10 Å. The C(4)-H(3) bond length is 1.10 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(3), one N(5), and one H(4) atom. The C(5)-N(5) bond length is 1.35 Å. The C(5)-H(4) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(5) atom. The C(6)-N(5) bond length is 1.35 Å. The C(6)-H(5) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(6) atom. The C(7)-N(3) bond length is 1.34 Å. The C(7)-H(6) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(10), one C(9), and one N(4) atom. The C(8)-C(10) bond length is 1.40 Å. The C(8)-C(9) bond length is 1.49 Å. The C(8)-N(4) bond length is 1.36 Å. In the ninth C site, C(9) is bonded in a distorted trigonal non-coplanar geometry to one C(8), one H(7), one H(8), and one H(9) atom. The C(9)-H(7) bond length is 1.09 Å. The C(9)-H(8) bond length is 1.10 Å. The C(9)-H(9) bond length is 1.10 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(6), and one H(10) atom. The C(10)-N(6) bond length is 1.35 Å. The C(10)-H(10) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(6) and one H(11) atom. The C(11)-N(6) bond length is 1.35 Å. The C(11)-H(11) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(12) atom. The C(12)-N(4) 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 linear geometry to one Cu(1) 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(3), and one C(7) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(2), one C(12), and one C(8) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cu(2), one C(5), and one C(6) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cu(1), one C(10), and one C(11) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(4) 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(4) 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(7) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(9) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(10) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(11) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(12) atom. Linkers: 8 Cc1cnccn1. Metal clusters: 8 [Cu]. The MOF has largest included sphere 2.29 A, density 1.87 g/cm3, surface area 4040.45 m2/g, accessible volume 0.07 cm3/g