CuH4(CN)7 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded in a trigonal bipyramidal geometry to one N(1), one N(2), one N(3), one N(5), and one N(6) atom. The Cu(1)-N(1) bond length is 2.06 Å. The Cu(1)-N(2) bond length is 1.95 Å. The Cu(1)-N(3) bond length is 1.97 Å. The Cu(1)-N(5) bond length is 2.19 Å. The Cu(1)-N(6) bond length is 1.97 Å. There are seven inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-N(1) bond length is 1.33 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one N(1) atom. The C(2)-C(3) bond length is 1.49 Å. The C(2)-N(1) bond length is 1.35 Å. In the third C site, C(3) is bonded in a distorted trigonal non-coplanar geometry to one C(2), one H(2), one H(3), and one H(4) atom. The C(3)-H(2) bond length is 1.10 Å. The C(3)-H(3) bond length is 1.10 Å. The C(3)-H(4) bond length is 1.10 Å. In the fourth C site, C(4) is bonded in a linear geometry to one N(2) and one N(7) atom. The C(4)-N(2) bond length is 1.18 Å. The C(4)-N(7) bond length is 1.29 Å. In the fifth C site, C(5) is bonded in a linear geometry to one N(3) and one N(4) atom. The C(5)-N(3) bond length is 1.18 Å. The C(5)-N(4) bond length is 1.28 Å. In the sixth C site, C(6) is bonded in a linear geometry to one N(4) and one N(5) atom. The C(6)-N(4) bond length is 1.29 Å. The C(6)-N(5) bond length is 1.18 Å. In the seventh C site, C(7) is bonded in a linear geometry to one N(6) and one N(7) atom. The C(7)-N(6) bond length is 1.18 Å. The C(7)-N(7) bond length is 1.29 Å. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(2) atom. In the second N site, N(2) is bonded in a linear geometry to one Cu(1) and one C(4) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one Cu(1) and one C(5) atom. In the fourth N site, N(4) is bonded in a bent 120 degrees geometry to one C(5) and one C(6) atom. In the fifth N site, N(5) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one C(6) atom. In the sixth N site, N(6) is bonded in a bent 150 degrees geometry to one Cu(1) and one C(7) atom. In the seventh N site, N(7) is bonded in a bent 120 degrees geometry to one C(4) and one C(7) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(3) atom. Linkers: 2 Cc1cnc(C)cn1. Metal clusters: 4 [Cu]. The MOF has largest included sphere 1.96 A, density 1.79 g/cm3, surface area 3950.40 m2/g, accessible volume 0.15 cm3/g