Cu3C16N7H10S3 crystallizes in the triclinic P1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one N(2), one N(7), one S(1), and one S(3) atom to form corner-sharing CuS2N2 tetrahedra. The Cu(1)-N(2) bond length is 2.01 Å. The Cu(1)-N(7) bond length is 1.88 Å. The Cu(1)-S(1) bond length is 2.36 Å. The Cu(1)-S(3) bond length is 2.32 Å. In the second Cu site, Cu(2) is bonded to one N(1), one N(5), one S(1), and one S(2) atom to form corner-sharing CuS2N2 tetrahedra. The Cu(2)-N(1) bond length is 2.03 Å. The Cu(2)-N(5) bond length is 1.90 Å. The Cu(2)-S(1) bond length is 2.36 Å. The Cu(2)-S(2) bond length is 2.30 Å. In the third Cu site, Cu(3) is bonded to one N(4), one N(6), one S(2), and one S(3) atom to form distorted corner-sharing CuS2N2 tetrahedra. The Cu(3)-N(4) bond length is 2.00 Å. The Cu(3)-N(6) bond length is 1.88 Å. The Cu(3)-S(2) bond length is 2.35 Å. The Cu(3)-S(3) bond length is 2.42 Å. There are sixteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(5), one N(1), and one H(2) atom. The C(1)-C(5) bond length is 1.40 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(2) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one H(3) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-N(1) bond length is 1.35 Å. The C(2)-H(3) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(4) atom. The C(3)-H(4) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(5) and one H(5) atom. The C(4)-C(5) bond length is 1.41 Å. The C(4)-H(5) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(1), one C(4), and one C(6) atom. The C(5)-C(6) bond length is 1.46 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 1.41 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(6) atom. The C(7)-C(8) bond length is 1.40 Å. The C(7)-H(6) bond length is 1.08 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(7), one C(9), and one N(3) atom. The C(8)-C(9) bond length is 1.45 Å. The C(8)-N(3) bond length is 1.36 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(13), and one C(8) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-C(13) bond length is 1.40 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(9) and one H(7) atom. The C(10)-H(7) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(12) and one H(8) atom. The C(11)-C(12) bond length is 1.39 Å. The C(11)-H(8) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one N(4), and one H(9) atom. The C(12)-N(4) bond length is 1.35 Å. The C(12)-H(9) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(4), and one H(10) atom. The C(13)-N(4) bond length is 1.34 Å. The C(13)-H(10) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted linear geometry to one N(5) and one S(1) atom. The C(14)-N(5) bond length is 1.18 Å. The C(14)-S(1) bond length is 1.64 Å. In the fifteenth C site, C(15) is bonded in a distorted linear geometry to one N(6) and one S(2) atom. The C(15)-N(6) bond length is 1.18 Å. The C(15)-S(2) bond length is 1.65 Å. In the sixteenth C site, C(16) is bonded in a distorted linear geometry to one N(7) and one S(3) atom. The C(16)-N(7) bond length is 1.18 Å. The C(16)-S(3) bond length is 1.64 Å. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(2), one C(1), and one C(2) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(6), and one N(3) atom. The N(2)-N(3) bond length is 1.35 Å. In the third N site, N(3) is bonded in a 2-coordinate geometry to one C(8), one N(2), and one H(1) atom. The N(3)-H(1) bond length is 1.02 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(3), one C(12), and one C(13) atom. In the fifth N site, N(5) is bonded in a linear geometry to one Cu(2) and one C(14) atom. In the sixth N site, N(6) is bonded in a linear geometry to one Cu(3) and one C(15) atom. In the seventh N site, N(7) is bonded in a linear geometry to one Cu(1) and one C(16) atom. There are ten inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(4) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(10) 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(12) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(13) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Cu(1), one Cu(2), and one C(14) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Cu(2), one Cu(3), and one C(15) atom. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Cu(1), one Cu(3), and one C(16) atom. Linkers: 1 c1cncc(-c2cc(-c3cccnc3)[nH]n2)c1. Metal clusters: 3 [Cu]. The MOF has largest included sphere 2.24 A, density 2.08 g/cm3, surface area 3616.34 m2/g, accessible volume 0.12 cm3/g