Cu2C6N5H5 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 two equivalent C(1), one N(2), and one N(4) atom to form edge-sharing CuC2N2 tetrahedra. There is one shorter (1.99 Å) and one longer (2.07 Å) Cu(1)-C(1) bond length. The Cu(1)-N(2) bond length is 1.91 Å. The Cu(1)-N(4) bond length is 2.02 Å. In the second Cu site, Cu(2) is bonded to two equivalent C(2), one N(1), and one N(3) atom to form edge-sharing CuC2N2 tetrahedra. There is one shorter (1.99 Å) and one longer (2.09 Å) Cu(2)-C(2) bond length. The Cu(2)-N(1) bond length is 1.91 Å. The Cu(2)-N(3) bond length is 2.02 Å. There are six inequivalent C sites. In the first C site, C(2) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one N(2) atom. The C(2)-N(2) bond length is 1.18 Å. In the second C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4), one N(3), and one N(5) atom. The C(3)-C(4) bond length is 1.42 Å. The C(3)-N(3) bond length is 1.36 Å. The C(3)-N(5) bond length is 1.35 Å. In the third C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one N(4), and one H(3) atom. The C(4)-N(4) bond length is 1.33 Å. The C(4)-H(3) bond length is 1.09 Å. In the fourth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(6), one N(4), and one H(4) atom. The C(5)-C(6) bond length is 1.38 Å. The C(5)-N(4) bond length is 1.36 Å. The C(5)-H(4) bond length is 1.09 Å. In the fifth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one N(3), and one H(5) atom. The C(6)-N(3) bond length is 1.35 Å. The C(6)-H(5) bond length is 1.09 Å. In the sixth 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 1.19 Å. There are five inequivalent N sites. In the first N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(4), and one C(5) atom. In the second N site, N(5) is bonded in a trigonal planar geometry to one C(3), one H(1), and one H(2) atom. The N(5)-H(1) bond length is 1.02 Å. The N(5)-H(2) bond length is 1.02 Å. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(2), one C(3), and one C(6) atom. In the fourth N site, N(1) is bonded in a distorted linear geometry to one Cu(2) and one C(1) atom. In the fifth N site, N(2) is bonded in a linear geometry to one Cu(1) and one C(2) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(5) 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. Linkers: 4 Nc1cnccn1. Metal clusters: 8 [Cu]. The MOF has largest included sphere 1.90 A, density 2.26 g/cm3, surface area 3315.77 m2/g, accessible volume 0.09 cm3/g