CuH20(C3N2)6 crystallizes in the orthorhombic Pnma space group. Cu(1) is bonded in a rectangular see-saw-like geometry to one N(4), one N(7), and two equivalent N(1) atoms. The Cu(1)-N(4) bond length is 2.00 Å. The Cu(1)-N(7) bond length is 2.00 Å. Both Cu(1)-N(1) bond lengths are 2.01 Å. There are thirteen inequivalent C sites. In the first C site, C(10) is bonded to one C(11), two equivalent C(4), and one N(6) atom to form distorted corner-sharing CC3N tetrahedra. The C(10)-C(11) bond length is 1.52 Å. Both C(10)-C(4) bond lengths are 1.54 Å. The C(10)-N(6) bond length is 1.50 Å. In the second C site, C(11) is bonded in a water-like geometry to one C(10), one C(12), and two equivalent H(5) atoms. The C(11)-C(12) bond length is 1.55 Å. Both C(11)-H(5) bond lengths are 0.98 Å. In the third C site, C(12) is bonded to one C(11), two equivalent C(5), and one N(9) atom to form distorted corner-sharing CC3N tetrahedra. Both C(12)-C(5) bond lengths are 1.54 Å. The C(12)-N(9) bond length is 1.48 Å. In the fourth C site, C(13) is bonded in a water-like geometry to two equivalent C(3) and two equivalent H(12,13) atoms. Both C(13)-C(3) bond lengths are 1.53 Å. Both C(13)-H(12,13) bond lengths are 0.98 Å. In the fifth C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(1) atom. The C(1)-N(1) bond length is 1.31 Å. The C(1)-N(3) bond length is 1.33 Å. The C(1)-H(1) bond length is 0.94 Å. In the sixth C site, C(2) is bonded in a trigonal planar geometry to one N(2), one N(3), and one H(2) atom. The C(2)-N(2) bond length is 1.31 Å. The C(2)-N(3) bond length is 1.35 Å. The C(2)-H(2) bond length is 0.94 Å. In the seventh C site, C(3) is bonded to one C(13), one C(4), one C(5), and one N(3) atom to form distorted corner-sharing CC3N tetrahedra. The C(3)-C(4) bond length is 1.55 Å. The C(3)-C(5) bond length is 1.54 Å. The C(3)-N(3) bond length is 1.50 Å. In the eighth C site, C(4) is bonded in a water-like geometry to one C(10); one C(3); and two equivalent H(3,4) atoms. Both C(4)-H(3,4) bond lengths are 0.98 Å. In the ninth C site, C(5) is bonded in a water-like geometry to one C(12); one C(3); and two equivalent H(6,7) atoms. Both C(5)-H(6,7) bond lengths are 0.98 Å. In the tenth C site, C(6) is bonded in a trigonal planar geometry to one N(4), one N(6), and one H(8) atom. The C(6)-N(4) bond length is 1.33 Å. The C(6)-N(6) bond length is 1.36 Å. The C(6)-H(8) bond length is 0.94 Å. In the eleventh C site, C(7) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(9) atom. The C(7)-N(5) bond length is 1.27 Å. The C(7)-N(6) bond length is 1.36 Å. The C(7)-H(9) bond length is 0.94 Å. In the twelfth C site, C(8) is bonded in a trigonal planar geometry to one N(7), one N(9), and one H(10) atom. The C(8)-N(7) bond length is 1.31 Å. The C(8)-N(9) bond length is 1.35 Å. The C(8)-H(10) bond length is 0.94 Å. In the thirteenth C site, C(9) is bonded in a trigonal planar geometry to one N(8), one N(9), and one H(11) atom. The C(9)-N(8) bond length is 1.32 Å. The C(9)-N(9) bond length is 1.34 Å. The C(9)-H(11) bond length is 0.94 Å. There are nine inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Cu(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.35 Å. In the second N site, N(2) is bonded in a distorted water-like geometry to one C(2) and one N(1) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(1), one C(2), and one C(3) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(6), and one N(5) atom. The N(4)-N(5) bond length is 1.37 Å. In the fifth N site, N(5) is bonded in a distorted water-like geometry to one C(7) and one N(4) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one C(10), one C(6), and one C(7) atom. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(8), and one N(8) atom. The N(7)-N(8) bond length is 1.38 Å. In the eighth N site, N(8) is bonded in a water-like geometry to one C(9) and one N(7) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one C(12), one C(8), and one C(9) atom. There are ten 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(3,4) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(11) atom. In the fifth H site, H(6,7) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(6) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(7) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(8) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(9) atom. In the tenth H site, H(12,13) is bonded in a single-bond geometry to one C(13) atom. Linkers: 4 c1nncn1[C@]12C[C@]3(n4cnnc4)C[C@](n4cnnc4)(C1)C[C@](n1cnnc1)(C2)C3. Metal clusters: 4 [Cu]. The MOF has largest included sphere 4.96 A, density 1.07 g/cm3, surface area 4156.98 m2/g, accessible volume 0.51 cm3/g