Cu3H7(C5N4)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one C(1), one C(4), one N(1), and one N(2) atom to form distorted edge-sharing CuC2N2 tetrahedra. The Cu(1)-C(1) bond length is 1.87 Å. The Cu(1)-C(4) bond length is 2.25 Å. The Cu(1)-N(1) bond length is 2.02 Å. The Cu(1)-N(2) bond length is 1.95 Å. In the second Cu site, Cu(2) is bonded to one C(4), one N(2), one N(5), and one N(6) atom to form distorted edge-sharing CuCN3 trigonal pyramids. The Cu(2)-C(4) bond length is 1.88 Å. The Cu(2)-N(2) bond length is 2.34 Å. The Cu(2)-N(5) bond length is 2.04 Å. The Cu(2)-N(6) bond length is 1.91 Å. In the third Cu site, Cu(3) is bonded in a trigonal planar geometry to one C(7), one N(4), and one N(7) atom. The Cu(3)-C(7) bond length is 1.85 Å. The Cu(3)-N(4) bond length is 1.99 Å. The Cu(3)-N(7) bond length is 1.90 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Cu(1) and one C(1) atom. The C(1)-C(1) bond length is 1.25 Å. In the second C site, C(2) is bonded in a distorted water-like geometry to one C(3), one N(1), and one N(5) atom. The C(2)-C(3) bond length is 1.46 Å. The C(2)-N(1) bond length is 1.36 Å. The C(2)-N(5) bond length is 1.35 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(5), and one C(6) atom. The C(3)-C(5) bond length is 1.41 Å. The C(3)-C(6) bond length is 1.40 Å. In the fourth C site, C(4) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one N(7) atom. The C(4)-N(7) bond length is 1.18 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(3), one C(8), and one H(1) atom. The C(5)-C(8) bond length is 1.38 Å. The C(5)-H(1) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(3), one C(9), and one H(2) atom. The C(6)-C(9) bond length is 1.38 Å. The C(6)-H(2) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a linear geometry to one Cu(3) and one N(6) atom. The C(7)-N(6) bond length is 1.18 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(5), one N(8), and one H(3) atom. The C(8)-N(8) bond length is 1.36 Å. The C(8)-H(3) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(6), one N(8), and one H(4) atom. The C(9)-N(8) bond length is 1.36 Å. The C(9)-H(4) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a tetrahedral geometry to one N(8), one H(5), one H(6), and one H(7) atom. The C(10)-N(8) bond length is 1.47 Å. The C(10)-H(5) bond length is 1.10 Å. The C(10)-H(6) bond length is 1.09 Å. The C(10)-H(7) bond length is 1.10 Å. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(2), and one N(3) atom. The N(1)-N(3) bond length is 1.34 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one N(2) atom. The N(2)-N(2) bond length is 1.15 Å. In the third N site, N(3) is bonded in a water-like geometry to one N(1) and one N(4) atom. The N(3)-N(4) bond length is 1.32 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(3), one N(3), and one N(5) atom. The N(4)-N(5) bond length is 1.35 Å. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Cu(2), one C(2), and one N(4) atom. In the sixth N site, N(6) is bonded in a linear geometry to one Cu(2) and one C(7) atom. In the seventh N site, N(7) is bonded in a linear geometry to one Cu(3) and one C(4) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one C(10), one C(8), and one C(9) atom. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(10) 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(10) atom. Linkers: 2 CN1[CH]C=C(C2=NN=N[N]2)C=C1. Metal clusters: 6 [Cu]. The MOF has largest included sphere 1.81 A, density 2.34 g/cm3, surface area 3308.07 m2/g, accessible volume 0.06 cm3/g