Cu3C40N8H28Cl is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four Cu3C40N8H28Cl clusters. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one N(1), one N(3), one N(4), and one Cl(1) atom to form distorted corner-sharing CuN3Cl tetrahedra. The Cu(1)-N(1) bond length is 2.00 Å. The Cu(1)-N(3) bond length is 2.10 Å. The Cu(1)-N(4) bond length is 1.99 Å. The Cu(1)-Cl(1) bond length is 2.66 Å. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to two equivalent N(2) and one Cl(1) atom. Both Cu(2)-N(2) bond lengths are 1.95 Å. The Cu(2)-Cl(1) bond length is 2.33 Å. There are twenty inequivalent C sites. In the first C site, C(6) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(3) atom. The C(6)-N(1) bond length is 1.34 Å. The C(6)-H(3) bond length is 0.93 Å. In the second C site, C(5) is bonded in a bent 120 degrees geometry to one C(20) and one C(8) atom. The C(5)-C(20) bond length is 1.39 Å. The C(5)-C(8) bond length is 1.39 Å. In the third C site, C(7) is bonded in a bent 120 degrees geometry to one C(3) and one C(8) atom. The C(7)-C(3) bond length is 1.39 Å. The C(7)-C(8) bond length is 1.39 Å. In the fourth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(5) atom. The C(10)-N(1) bond length is 1.35 Å. The C(10)-H(5) bond length is 0.93 Å. In the fifth C site, C(11) is bonded in a trigonal planar geometry to one C(16), one C(19), and one C(4) atom. The C(11)-C(16) bond length is 1.38 Å. The C(11)-C(19) bond length is 1.38 Å. The C(11)-C(4) bond length is 1.49 Å. In the sixth C site, C(8) is bonded in a trigonal planar geometry to one C(1), one C(5), and one C(7) atom. The C(8)-C(1) bond length is 1.48 Å. In the seventh C site, C(12) is bonded in a single-bond geometry to one C(4) and one H(6) atom. The C(12)-C(4) bond length is 1.38 Å. The C(12)-H(6) bond length is 0.93 Å. In the eighth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(8) atom. The C(14)-N(4) bond length is 1.34 Å. The C(14)-H(8) bond length is 0.93 Å. In the ninth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(9) atom. The C(15)-N(2) bond length is 1.32 Å. The C(15)-H(9) bond length is 0.93 Å. In the tenth C site, C(16) is bonded in a distorted single-bond geometry to one C(11) and one H(10) atom. The C(16)-H(10) bond length is 0.93 Å. In the eleventh C site, C(9) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(4) atom. The C(9)-N(2) bond length is 1.34 Å. The C(9)-H(4) bond length is 0.93 Å. In the twelfth C site, C(13) is bonded in a distorted single-bond geometry to one C(1) and one H(7) atom. The C(13)-C(1) bond length is 1.38 Å. The C(13)-H(7) bond length is 0.93 Å. In the thirteenth C site, C(17) is bonded in a 3-coordinate geometry to one C(19), one N(4), and one H(11) atom. The C(17)-C(19) bond length is 1.38 Å. The C(17)-N(4) bond length is 1.35 Å. The C(17)-H(11) bond length is 0.93 Å. In the fourteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(4) and one H(12) atom. The C(18)-C(4) bond length is 1.39 Å. The C(18)-H(12) bond length is 0.93 Å. In the fifteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(11), one C(17), and one H(13) atom. The C(19)-H(13) bond length is 0.93 Å. In the sixteenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(3), and one H(14) atom. The C(20)-N(3) bond length is 1.34 Å. The C(20)-H(14) bond length is 0.93 Å. In the seventeenth C site, C(1) is bonded in a trigonal planar geometry to one C(13), one C(2), and one C(8) atom. The C(1)-C(2) bond length is 1.39 Å. In the eighteenth C site, C(2) is bonded in a distorted single-bond geometry to one C(1) and one H(1) atom. The C(2)-H(1) bond length is 0.93 Å. In the nineteenth C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(7), one N(3), and one H(2) atom. The C(3)-N(3) bond length is 1.34 Å. The C(3)-H(2) bond length is 0.93 Å. In the twentieth C site, C(4) is bonded in a trigonal planar geometry to one C(11), one C(12), and one C(18) atom. 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(10), and one C(6) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(2), one C(15), and one C(9) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(1), one C(20), and one C(3) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(14), and one C(17) atom. There are fourteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) 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(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(12) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(13) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(14) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(15) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(16) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(17) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(18) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(19) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(20) atom. Cl(1) is bonded in a T-shaped geometry to one Cu(2) and two equivalent Cu(1) atoms. Linkers: 7 c1cc(-c2ccncc2)ccn1 ,8 [c]1cnc[c]c1-c1ccncc1. Metal clusters: 6 [Cu] ,2 Cl[Cu].[Cu].[Cu]. The MOF has largest included sphere 8.03 A, density 0.78 g/cm3, surface area 4900.08 m2/g, accessible volume 0.79 cm3/g