CuH12(C3N2)4 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one CuH12(C3N2)4 cluster. Cu(1) is bonded in a distorted square pyramidal 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 2.03 Å. The Cu(1)-N(2) bond length is 2.03 Å. The Cu(1)-N(3) bond length is 1.98 Å. The Cu(1)-N(5) bond length is 2.48 Å. The Cu(1)-N(6) bond length is 1.99 Å. There are twelve 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 1.39 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one H(2) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(11), one C(2), and one C(4) atom. The C(3)-C(11) bond length is 1.49 Å. The C(3)-C(4) bond length is 1.40 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(3) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-H(3) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one C(6), and one N(1) atom. The C(5)-C(6) bond length is 1.47 Å. The C(5)-N(1) bond length is 1.35 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one N(2) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-N(2) bond length is 1.36 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(6), one C(8), and one H(4) atom. The C(7)-C(8) bond length is 1.40 Å. The C(7)-H(4) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(12), one C(7), and one C(9) atom. The C(8)-C(12) bond length is 1.50 Å. The C(8)-C(9) bond length is 1.40 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(8) and one H(5) atom. The C(9)-H(5) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(6) atom. The C(10)-N(2) bond length is 1.34 Å. The C(10)-H(6) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal non-coplanar geometry to one C(3), one H(7), one H(8), and one H(9) atom. The C(11)-H(7) bond length is 1.10 Å. The C(11)-H(8) bond length is 1.10 Å. The C(11)-H(9) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal non-coplanar geometry to one C(8), one H(10), one H(11), and one H(12) atom. The C(12)-H(10) bond length is 1.10 Å. The C(12)-H(11) bond length is 1.10 Å. The C(12)-H(12) bond length is 1.09 Å. There are eight 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(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(10), and one C(6) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one N(4) atom. The N(3)-N(4) bond length is 1.20 Å. In the fourth N site, N(4) is bonded in a linear geometry to one N(3) and one N(5) atom. The N(4)-N(5) bond length is 1.17 Å. In the fifth N site, N(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one N(4) atom. In the sixth N site, N(6) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one N(7) atom. The N(6)-N(7) bond length is 1.20 Å. In the seventh N site, N(7) is bonded in a linear geometry to one N(6) and one N(8) atom. The N(7)-N(8) bond length is 1.17 Å. In the eighth N site, N(8) is bonded in a single-bond geometry to one N(7) atom. There are twelve 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(2) 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(7) 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. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(11) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(11) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(12) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(12) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(12) atom. Linkers: 2 Cc1ccnc(-c2cc(C)ccn2)c1. Metal clusters: 2 [Cu]. The MOF has largest included sphere 1.82 A, density 1.67 g/cm3, surface area 4613.95 m2/g, accessible volume 0.12 cm3/g