CuH20(C5N)4(CH)4 is Indium-derived structured and crystallizes in the orthorhombic Pccn space group. The structure is zero-dimensional and consists of eight isobutylene molecules and eight CuH20(C5N)4 clusters. In each CuH20(C5N)4 cluster, Cu(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Cu(1)-N(1) bond length is 2.02 Å. The Cu(1)-N(2) bond length is 2.04 Å. The Cu(1)-N(3) bond length is 2.02 Å. The Cu(1)-N(4) bond length is 2.02 Å. There are twenty inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees 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 1.34 Å. The C(1)-H(1) bond length is 1.02 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 H(2) atom. The C(2)-C(3) bond length is 1.38 Å. The C(2)-H(2) bond length is 1.00 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(6) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-C(6) bond length is 1.51 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar 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 1.02 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(4), 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 1.00 Å. In the sixth C site, C(6) is bonded in a water-like geometry to one C(3), one H(5), and one H(6) atom. The C(6)-H(5) bond length is 1.02 Å. The C(6)-H(6) bond length is 1.02 Å. In the seventh C site, C(7) is bonded in a water-like geometry to one C(8), one H(7), and one H(8) atom. The C(7)-C(8) bond length is 1.51 Å. The C(7)-H(7) bond length is 1.03 Å. The C(7)-H(8) bond length is 1.01 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 1.39 Å. The C(8)-C(9) bond length is 1.39 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(8), and one H(9) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-H(9) bond length is 1.02 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(2), and one H(10) atom. The C(10)-N(2) bond length is 1.34 Å. The C(10)-H(10) bond length is 1.02 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(12), one N(2), and one H(11) atom. The C(11)-C(12) bond length is 1.42 Å. The C(11)-N(2) bond length is 1.32 Å. The C(11)-H(11) bond length is 1.02 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one C(8), and one H(12) atom. The C(12)-H(12) bond length is 1.01 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(13) atom. The C(13)-N(3) bond length is 1.34 Å. The C(13)-H(13) bond length is 1.00 Å. In the fourteenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(16) atom. The C(17)-N(3) bond length is 1.35 Å. The C(17)-H(16) bond length is 1.01 Å. In the fifteenth C site, C(19) is bonded in a water-like geometry to one C(20), one H(19), and one H(20) atom. The C(19)-C(20) bond length is 1.52 Å. The C(19)-H(19) bond length is 1.01 Å. The C(19)-H(20) bond length is 1.01 Å. In the sixteenth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(21), and one C(24) atom. The C(20)-C(21) bond length is 1.38 Å. The C(20)-C(24) bond length is 1.39 Å. In the seventeenth C site, C(21) is bonded in a distorted trigonal planar geometry to one C(20), one C(22), and one H(21) atom. The C(21)-C(22) bond length is 1.38 Å. The C(21)-H(21) bond length is 1.03 Å. In the eighteenth C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(21), one N(4), and one H(22) atom. The C(22)-N(4) bond length is 1.33 Å. The C(22)-H(22) bond length is 1.02 Å. In the nineteenth C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(24), one N(4), and one H(23) atom. The C(23)-C(24) bond length is 1.37 Å. The C(23)-N(4) bond length is 1.34 Å. The C(23)-H(23) bond length is 1.03 Å. In the twentieth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(20), one C(23), and one H(24) atom. The C(24)-H(24) bond length is 1.03 Å. There are four 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(3) is bonded in a trigonal planar geometry to one Cu(1), one C(13), and one C(17) atom. In the third N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(22), and one C(23) atom. In the fourth N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(10), and one C(11) atom. There are twenty 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(4) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(2) is bonded in a single-bond geometry to one C(2) 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(6) is bonded in a single-bond geometry to one C(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(7) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(7) atom. In the ninth H site, H(13) is bonded in a single-bond geometry to one C(13) atom. In the tenth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the eleventh H site, H(10) is bonded in a single-bond geometry to one C(10) atom. In the twelfth H site, H(16) is bonded in a single-bond geometry to one C(17) atom. In the thirteenth H site, H(11) is bonded in a single-bond geometry to one C(11) atom. In the fourteenth H site, H(12) is bonded in a single-bond geometry to one C(12) atom. In the fifteenth H site, H(19) is bonded in a single-bond geometry to one C(19) atom. In the sixteenth H site, H(20) is bonded in a single-bond geometry to one C(19) atom. In the seventeenth H site, H(21) is bonded in a single-bond geometry to one C(21) atom. In the eighteenth H site, H(22) is bonded in a single-bond geometry to one C(22) atom. In the nineteenth H site, H(23) is bonded in a single-bond geometry to one C(23) atom. In the twentieth H site, H(24) is bonded in a single-bond geometry to one C(24) atom. Linkers: 16 c1cc(CCc2ccncc2)ccn1. Metal clusters: 8 [Cu]. The MOF has largest included sphere 7.63 A, density 0.67 g/cm3, surface area 5499.69 m2/g, accessible volume 1.02 cm3/g