Cu2H11(C3N5)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one N(4), one N(7), one N(9), and two equivalent N(1) atoms to form edge-sharing CuN5 square pyramids. The Cu(1)-N(4) bond length is 2.36 Å. The Cu(1)-N(7) bond length is 1.98 Å. The Cu(1)-N(9) bond length is 1.98 Å. There is one shorter (2.03 Å) and one longer (2.05 Å) Cu(1)-N(1) bond length. In the second Cu site, Cu(2) is bonded to one N(10), one N(11), one N(6), and two equivalent N(13) atoms to form edge-sharing CuN5 square pyramids. The Cu(2)-N(10) bond length is 1.97 Å. The Cu(2)-N(11) bond length is 1.98 Å. The Cu(2)-N(6) bond length is 2.36 Å. There is one shorter (2.03 Å) and one longer (2.06 Å) Cu(2)-N(13) bond length. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(7), and one H(1) atom. The C(1)-C(2) bond length is 1.37 Å. The C(1)-N(7) bond length is 1.38 Å. The C(1)-H(1) bond length is 1.08 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(1), one N(8), and one H(2) atom. The C(2)-N(8) bond length is 1.38 Å. The C(2)-H(2) bond length is 1.08 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(7), one N(8), and one H(3) atom. The C(3)-N(7) bond length is 1.34 Å. The C(3)-N(8) bond length is 1.35 Å. The C(3)-H(3) bond length is 1.08 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(9), and one H(4) atom. The C(4)-C(5) bond length is 1.38 Å. The C(4)-N(9) bond length is 1.38 Å. The C(4)-H(4) bond length is 1.08 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(10), and one H(5) atom. The C(5)-N(10) bond length is 1.38 Å. The C(5)-H(5) bond length is 1.08 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one N(10), one N(9), and one H(6) atom. The C(6)-N(10) bond length is 1.35 Å. The C(6)-N(9) bond length is 1.35 Å. The C(6)-H(6) bond length is 1.08 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(11), and one H(7) atom. The C(7)-C(8) bond length is 1.37 Å. The C(7)-N(11) bond length is 1.38 Å. The C(7)-H(7) bond length is 1.08 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(7), one N(12), and one H(8) atom. The C(8)-N(12) bond length is 1.38 Å. The C(8)-H(8) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one N(11), one N(12), and one H(9) atom. The C(9)-N(11) bond length is 1.34 Å. The C(9)-N(12) bond length is 1.35 Å. The C(9)-H(9) bond length is 1.08 Å. There are fifteen inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one N(2) atom. The N(1)-N(2) bond length is 1.22 Å. In the second N site, N(2) is bonded in a linear geometry to one N(1) and one N(3) atom. The N(2)-N(3) bond length is 1.16 Å. In the third N site, N(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Cu(1), one N(5), and one H(10) atom. The N(4)-N(5) bond length is 1.18 Å. The N(4)-H(10) bond length is 1.82 Å. In the fifth N site, N(5) is bonded in a linear geometry to one N(4) and one N(6) atom. The N(5)-N(6) bond length is 1.19 Å. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Cu(2), one N(5), and one H(11) atom. The N(6)-H(11) bond length is 1.76 Å. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(3) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one C(2), one C(3), and one H(10) atom. The N(8)-H(10) bond length is 1.04 Å. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Cu(1), one C(4), and one C(6) atom. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one Cu(2), one C(5), and one C(6) atom. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one Cu(2), one C(7), and one C(9) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one C(8), one C(9), and one H(11) atom. The N(12)-H(11) bond length is 1.04 Å. In the thirteenth N site, N(13) is bonded in a trigonal planar geometry to two equivalent Cu(2) and one N(14) atom. The N(13)-N(14) bond length is 1.22 Å. In the fourteenth N site, N(14) is bonded in a linear geometry to one N(13) and one N(15) atom. The N(14)-N(15) bond length is 1.16 Å. In the fifteenth N site, N(15) is bonded in a single-bond geometry to one N(14) atom. There are eleven 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(3) atom. In the fourth H site, H(4) 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(5) 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(8) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one N(4) and one N(8) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one N(12) and one N(6) atom. Linkers: 2 C1=CN=C[N]1. Metal clusters: 4 [Cu]. The MOF has largest included sphere 2.16 A, density 1.90 g/cm3, surface area 3990.47 m2/g, accessible volume 0.15 cm3/g