CuH16(C5N)4 is Indium-like structured and crystallizes in the tetragonal I4_1/acd space group. The structure is zero-dimensional and consists of sixteen CuH16(C5N)4 clusters. Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. Both Cu(1)-N(1) bond lengths are 2.03 Å. Both Cu(1)-N(2) bond lengths are 2.01 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1) atom. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(4) atom. The C(5)-N(1) bond length is 1.32 Å. The C(5)-H(4) bond length is 0.93 Å. In the third C site, C(8) is bonded in a trigonal planar geometry to one C(3), one C(7), and one C(9) atom. The C(8)-C(3) bond length is 1.48 Å. The C(8)-C(7) bond length is 1.39 Å. The C(8)-C(9) bond length is 1.39 Å. In the fourth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(8), and one H(7) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-H(7) bond length is 0.93 Å. In the fifth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(2), and one H(8) atom. The C(10)-N(2) bond length is 1.34 Å. The C(10)-H(8) bond length is 0.93 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(5) atom. The C(6)-N(2) bond length is 1.35 Å. The C(6)-H(5) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(8) and one H(6) atom. The C(7)-H(6) bond length is 0.93 Å. In the eighth C site, C(2) is bonded in a distorted single-bond geometry to 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 0.93 Å. In the ninth C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(8) atom. The C(3)-C(4) bond length is 1.38 Å. In the tenth C site, C(4) is bonded in a distorted single-bond geometry to one C(3) and one H(3) atom. The C(4)-H(3) bond length is 0.93 Å. There are two 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. There are eight 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(4) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the eighth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. Linkers: 2 [CH]1C=C(c2ccncc2)C=CN1[Cu](N1[CH]C=C(c2ccncc2)C=C1)(N1[CH]C=C(c2ccncc2)C=C1)N1[CH]C=C(c2ccncc2)C=C1 ,4 c1cc(-c2ccncc2)ccn1. Metal clusters: 6 [Cu]. The MOF has largest included sphere 7.37 A, density 0.68 g/cm3, surface area 4961.27 m2/g, accessible volume 1.15 cm3/g