Cu3H40(CN)30 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Cu3H40(CN)30 clusters. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square pyramidal geometry to one N(1), one N(13), one N(22), one N(4), and one N(8) atom. The Cu(1)-N(1) bond length is 1.99 Å. The Cu(1)-N(13) bond length is 2.07 Å. The Cu(1)-N(22) bond length is 2.00 Å. The Cu(1)-N(4) bond length is 2.02 Å. The Cu(1)-N(8) bond length is 2.37 Å. In the second Cu site, Cu(2) is bonded in an octahedral geometry to one N(14), one N(16), one N(19), one N(2), one N(25), and one N(7) atom. The Cu(2)-N(14) bond length is 2.00 Å. The Cu(2)-N(16) bond length is 1.99 Å. The Cu(2)-N(19) bond length is 2.05 Å. The Cu(2)-N(2) bond length is 2.36 Å. The Cu(2)-N(25) bond length is 2.45 Å. The Cu(2)-N(7) bond length is 2.01 Å. In the third Cu site, Cu(3) is bonded in a square pyramidal geometry to one N(10), one N(17), one N(20), one N(26), and one N(28) atom. The Cu(3)-N(10) bond length is 1.98 Å. The Cu(3)-N(17) bond length is 2.06 Å. The Cu(3)-N(20) bond length is 2.28 Å. The Cu(3)-N(26) bond length is 1.99 Å. The Cu(3)-N(28) bond length is 2.03 Å. There are thirty inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one N(3) and two equivalent H(1,2) atoms. The C(1)-N(3) bond length is 1.47 Å. Both C(1)-H(1,2) bond lengths are 0.99 Å. In the second C site, C(2) is bonded in a 3-coordinate geometry to one N(6) and two equivalent H(3,4) atoms. The C(2)-N(6) bond length is 1.48 Å. Both C(2)-H(3,4) bond lengths are 0.99 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(2), one N(3), and one H(21) atom. The C(3)-N(2) bond length is 1.30 Å. The C(3)-N(3) bond length is 1.36 Å. The C(3)-H(21) bond length is 0.95 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(22) atom. The C(4)-N(1) bond length is 1.32 Å. The C(4)-N(3) bond length is 1.35 Å. The C(4)-H(22) bond length is 0.95 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(23) atom. The C(5)-N(5) bond length is 1.30 Å. The C(5)-N(6) bond length is 1.36 Å. The C(5)-H(23) bond length is 0.95 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one N(4), one N(6), and one H(24) atom. The C(6)-N(4) bond length is 1.32 Å. The C(6)-N(6) bond length is 1.35 Å. The C(6)-H(24) bond length is 0.95 Å. In the seventh C site, C(7) is bonded in a 3-coordinate geometry to one N(9) and two equivalent H(5,6) atoms. The C(7)-N(9) bond length is 1.47 Å. Both C(7)-H(5,6) bond lengths are 0.99 Å. In the eighth C site, C(8) is bonded in a 3-coordinate geometry to one N(12) and two equivalent H(7,8) atoms. The C(8)-N(12) bond length is 1.48 Å. Both C(8)-H(7,8) bond lengths are 0.99 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one N(7); one N(9); and one H(25,32) atom. The C(9)-N(7) bond length is 1.31 Å. The C(9)-N(9) bond length is 1.35 Å. The C(9)-H(25,32) bond length is 0.95 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one N(8), one N(9), and one H(26) atom. The C(10)-N(8) bond length is 1.31 Å. The C(10)-N(9) bond length is 1.36 Å. The C(10)-H(26) bond length is 0.95 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one N(11), one N(12), and one H(27) atom. The C(11)-N(11) bond length is 1.30 Å. The C(11)-N(12) bond length is 1.37 Å. The C(11)-H(27) bond length is 0.95 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one N(10), one N(12), and one H(28) atom. The C(12)-N(10) bond length is 1.29 Å. The C(12)-N(12) bond length is 1.32 Å. The C(12)-H(28) bond length is 0.95 Å. In the thirteenth C site, C(13) is bonded in a 3-coordinate geometry to one N(15) and two equivalent H(9,10) atoms. The C(13)-N(15) bond length is 1.46 Å. Both C(13)-H(9,10) bond lengths are 0.99 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one N(14), one N(15), and one H(29) atom. The C(14)-N(14) bond length is 1.30 Å. The C(14)-N(15) bond length is 1.35 Å. The C(14)-H(29) bond length is 0.95 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one N(13), one N(15), and one H(30) atom. The C(15)-N(13) bond length is 1.31 Å. The C(15)-N(15) bond length is 1.36 Å. The C(15)-H(30) bond length is 0.95 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal non-coplanar geometry to one N(18) and two equivalent H(11,12) atoms. The C(16)-N(18) bond length is 1.44 Å. Both C(16)-H(11,12) bond lengths are 0.99 Å. In the seventeenth C site, C(17) is bonded in a trigonal planar geometry to one N(17), one N(18), and one H(31) atom. The C(17)-N(17) bond length is 1.31 Å. The C(17)-N(18) bond length is 1.36 Å. The C(17)-H(31) bond length is 0.95 Å. In the eighteenth C site, C(18) is bonded in a trigonal planar geometry to one N(16); one N(18); and one H(25,32) atom. The C(18)-N(16) bond length is 1.31 Å. The C(18)-N(18) bond length is 1.35 Å. The C(18)-H(25,32) bond length is 0.95 Å. In the nineteenth C site, C(19) is bonded in a 3-coordinate geometry to one N(21) and two equivalent H(13,14) atoms. The C(19)-N(21) bond length is 1.47 Å. Both C(19)-H(13,14) bond lengths are 0.99 Å. In the twentieth C site, C(20) is bonded in a 3-coordinate geometry to one N(24) and two equivalent H(15,16) atoms. The C(20)-N(24) bond length is 1.46 Å. Both C(20)-H(15,16) bond lengths are 0.99 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one N(20), one N(21), and one H(33) atom. The C(21)-N(20) bond length is 1.31 Å. The C(21)-N(21) bond length is 1.35 Å. The C(21)-H(33) bond length is 0.95 Å. In the twenty-second C site, C(22) is bonded in a trigonal planar geometry to one N(19), one N(21), and one H(34) atom. The C(22)-N(19) bond length is 1.31 Å. The C(22)-N(21) bond length is 1.35 Å. The C(22)-H(34) bond length is 0.95 Å. In the twenty-third C site, C(23) is bonded in a trigonal planar geometry to one N(23), one N(24), and one H(35) atom. The C(23)-N(23) bond length is 1.30 Å. The C(23)-N(24) bond length is 1.37 Å. The C(23)-H(35) bond length is 0.95 Å. In the twenty-fourth C site, C(24) is bonded in a trigonal planar geometry to one N(22), one N(24), and one H(36) atom. The C(24)-N(22) bond length is 1.31 Å. The C(24)-N(24) bond length is 1.35 Å. The C(24)-H(36) bond length is 0.95 Å. In the twenty-fifth C site, C(25) is bonded in a 3-coordinate geometry to one N(27) and two equivalent H(17,18) atoms. The C(25)-N(27) bond length is 1.47 Å. Both C(25)-H(17,18) bond lengths are 0.99 Å. In the twenty-sixth C site, C(26) is bonded in a 3-coordinate geometry to one N(30) and two equivalent H(19,20) atoms. The C(26)-N(30) bond length is 1.46 Å. Both C(26)-H(19,20) bond lengths are 0.99 Å. In the twenty-seventh C site, C(27) is bonded in a trigonal planar geometry to one N(26), one N(27), and one H(37) atom. The C(27)-N(26) bond length is 1.30 Å. The C(27)-N(27) bond length is 1.35 Å. The C(27)-H(37) bond length is 0.95 Å. In the twenty-eighth C site, C(28) is bonded in a trigonal planar geometry to one N(25), one N(27), and one H(38) atom. The C(28)-N(25) bond length is 1.31 Å. The C(28)-N(27) bond length is 1.36 Å. The C(28)-H(38) bond length is 0.95 Å. In the twenty-ninth C site, C(29) is bonded in a trigonal planar geometry to one N(29), one N(30), and one H(39) atom. The C(29)-N(29) bond length is 1.32 Å. The C(29)-N(30) bond length is 1.36 Å. The C(29)-H(39) bond length is 0.95 Å. In the thirtieth C site, C(30) is bonded in a trigonal planar geometry to one N(28), one N(30), and one H(40) atom. The C(30)-N(28) bond length is 1.31 Å. The C(30)-N(30) bond length is 1.35 Å. The C(30)-H(40) bond length is 0.95 Å. There are thirty inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(4), and one N(2) atom. The N(1)-N(2) bond length is 1.38 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Cu(2), one C(3), 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(3), and one C(4) 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 1.38 Å. In the fifth N site, N(5) is bonded in a water-like geometry to one C(5) and one N(4) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one C(2), one C(5), and one C(6) atom. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(9), and one N(8) atom. The N(7)-N(8) bond length is 1.40 Å. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(10), and one N(7) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one C(10), one C(7), and one C(9) atom. In the tenth N site, N(10) is bonded in a 3-coordinate geometry to one Cu(3), one C(12), and one N(11) atom. The N(10)-N(11) bond length is 1.39 Å. In the eleventh N site, N(11) is bonded in a distorted water-like geometry to one C(11) and one N(10) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one C(11), one C(12), and one C(8) atom. In the thirteenth N site, N(13) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(15), and one N(14) atom. The N(13)-N(14) bond length is 1.38 Å. In the fourteenth N site, N(14) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(14), and one N(13) atom. In the fifteenth N site, N(15) is bonded in a trigonal planar geometry to one C(13), one C(14), and one C(15) atom. In the sixteenth N site, N(16) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(18), and one N(17) atom. The N(16)-N(17) bond length is 1.37 Å. In the seventeenth N site, N(17) is bonded in a distorted trigonal planar geometry to one Cu(3), one C(17), and one N(16) atom. In the eighteenth N site, N(18) is bonded in a trigonal planar geometry to one C(16), one C(17), and one C(18) atom. In the nineteenth N site, N(19) is bonded in a 3-coordinate geometry to one Cu(2), one C(22), and one N(20) atom. The N(19)-N(20) bond length is 1.39 Å. In the twentieth N site, N(20) is bonded in a 3-coordinate geometry to one Cu(3), one C(21), and one N(19) atom. In the twenty-first N site, N(21) is bonded in a trigonal planar geometry to one C(19), one C(21), and one C(22) atom. In the twenty-second N site, N(22) is bonded in a 3-coordinate geometry to one Cu(1), one C(24), and one N(23) atom. The N(22)-N(23) bond length is 1.39 Å. In the twenty-third N site, N(23) is bonded in a distorted water-like geometry to one C(23) and one N(22) atom. In the twenty-fourth N site, N(24) is bonded in a trigonal planar geometry to one C(20), one C(23), and one C(24) atom. In the twenty-fifth N site, N(25) is bonded in a distorted single-bond geometry to one Cu(2), one C(28), and one N(26) atom. The N(25)-N(26) bond length is 1.38 Å. In the twenty-sixth N site, N(26) is bonded in a distorted trigonal planar geometry to one Cu(3), one C(27), and one N(25) atom. In the twenty-seventh N site, N(27) is bonded in a trigonal planar geometry to one C(25), one C(27), and one C(28) atom. In the twenty-eighth N site, N(28) is bonded in a distorted trigonal planar geometry to one Cu(3), one C(30), and one N(29) atom. The N(28)-N(29) bond length is 1.38 Å. In the twenty-ninth N site, N(29) is bonded in a distorted water-like geometry to one C(29) and one N(28) atom. In the thirtieth N site, N(30) is bonded in a trigonal planar geometry to one C(26), one C(29), and one C(30) atom. There are twenty-nine inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(3,4) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(5,6) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(7,8) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(9,10) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(11,12) is bonded in a single-bond geometry to one C(16) atom. In the seventh H site, H(13,14) is bonded in a single-bond geometry to one C(19) atom. In the eighth H site, H(15,16) is bonded in a single-bond geometry to one C(20) atom. In the ninth H site, H(17,18) is bonded in a single-bond geometry to one C(25) atom. In the tenth H site, H(19,20) is bonded in a single-bond geometry to one C(26) atom. In the eleventh H site, H(21) is bonded in a single-bond geometry to one C(3) atom. In the twelfth H site, H(22) is bonded in a single-bond geometry to one C(4) atom. In the thirteenth H site, H(23) is bonded in a single-bond geometry to one C(5) atom. In the fourteenth H site, H(24) is bonded in a single-bond geometry to one C(6) atom. In the fifteenth H site, H(25,32) is bonded in a single-bond geometry to one C(9) atom. In the sixteenth H site, H(26) is bonded in a single-bond geometry to one C(10) atom. In the seventeenth H site, H(27) is bonded in a single-bond geometry to one C(11) atom. In the eighteenth H site, H(28) is bonded in a single-bond geometry to one C(12) atom. In the nineteenth H site, H(29) is bonded in a single-bond geometry to one C(14) atom. In the twentieth H site, H(30) is bonded in a single-bond geometry to one C(15) atom. In the twenty-first H site, H(31) is bonded in a single-bond geometry to one C(17) atom. In the twenty-second H site, H(33) is bonded in a single-bond geometry to one C(21) atom. In the twenty-third H site, H(34) is bonded in a single-bond geometry to one C(22) atom. In the twenty-fourth H site, H(35) is bonded in a single-bond geometry to one C(23) atom. In the twenty-fifth H site, H(36) is bonded in a single-bond geometry to one C(24) atom. In the twenty-sixth H site, H(37) is bonded in a single-bond geometry to one C(27) atom. In the twenty-seventh H site, H(38) is bonded in a single-bond geometry to one C(28) atom. In the twenty-eighth H site, H(39) is bonded in a single-bond geometry to one C(29) atom. In the twenty-ninth H site, H(40) is bonded in a single-bond geometry to one C(30) atom. Linkers: 9 c1nncn1CCn1cnnc1. Metal clusters: 6 [Cu]. The MOF has largest included sphere 4.28 A, density 1.17 g/cm3, surface area 4360.71 m2/g, accessible volume 0.43 cm3/g