KCuH6(C5N3)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 6-coordinate geometry to one N(1), one N(3), one N(5), two equivalent N(6), and one H(1) atom. The K(1)-N(1) bond length is 2.83 Å. The K(1)-N(3) bond length is 2.97 Å. The K(1)-N(5) bond length is 2.91 Å. There is one shorter (2.79 Å) and one longer (3.06 Å) K(1)-N(6) bond length. The K(1)-H(1) bond length is 2.88 Å. Cu(1) is bonded in a tetrahedral geometry to one C(1), one C(2), one N(2), and one N(4) atom. The Cu(1)-C(1) bond length is 1.90 Å. The Cu(1)-C(2) bond length is 1.90 Å. The Cu(1)-N(2) bond length is 2.09 Å. The Cu(1)-N(4) bond length is 2.09 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one Cu(1) and one N(6) atom. The C(1)-N(6) 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(1) atom. The C(2)-N(1) bond length is 1.18 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(7), one N(2), and one N(3) atom. The C(3)-C(7) bond length is 1.48 Å. The C(3)-N(2) bond length is 1.35 Å. The C(3)-N(3) bond length is 1.34 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(5), one N(3), and one H(1) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-N(3) bond length is 1.34 Å. The C(4)-H(1) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(2) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-H(2) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one N(2), and one H(3) atom. The C(6)-N(2) bond length is 1.35 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(3), one N(4), and one N(5) atom. The C(7)-N(4) bond length is 1.35 Å. The C(7)-N(5) bond length is 1.34 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(9), one N(5), and one H(4) atom. The C(8)-C(9) bond length is 1.40 Å. The C(8)-N(5) bond length is 1.34 Å. The C(8)-H(4) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(10), one C(8), and one H(5) atom. The C(9)-C(10) 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(9), one N(4), and one H(6) atom. The C(10)-N(4) bond length is 1.35 Å. The C(10)-H(6) bond length is 1.09 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one K(1) and one C(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(3), and one C(6) atom. In the third N site, N(3) is bonded in a distorted bent 120 degrees geometry to one K(1), one C(3), and one C(4) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(10), and one C(7) atom. In the fifth N site, N(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one C(7), and one C(8) atom. In the sixth N site, N(6) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(1) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one K(1) and one C(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(5) 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(8) 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. Linkers: 4 c1cnc(-c2ncccn2)nc1. Metal clusters: 4 [K] ,4 [Cu]. The MOF has largest included sphere 1.56 A, density 1.82 g/cm3, surface area 2895.96 m2/g, accessible volume 0.08 cm3/g