Cu3H16(C12N13)2(C3NH7O)2 crystallizes in the triclinic P1 space group. The structure consists of four n,n-dimethylformamide molecules inside a Cu3H16(C12N13)2 framework. In the Cu3H16(C12N13)2 framework, there are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one N(11), one N(29), one N(31), one N(41), one N(43), and one N(9) atom to form corner-sharing CuN6 octahedra. The Cu(1)-N(11) bond length is 2.00 Å. The Cu(1)-N(29) bond length is 2.02 Å. The Cu(1)-N(31) bond length is 2.02 Å. The Cu(1)-N(41) bond length is 2.35 Å. The Cu(1)-N(43) bond length is 2.35 Å. The Cu(1)-N(9) bond length is 2.00 Å. In the second Cu site, Cu(2) is bonded to one N(10), one N(12), one N(30), one N(32), one N(42), and one N(44) atom to form corner-sharing CuN6 octahedra. The Cu(2)-N(10) bond length is 2.00 Å. The Cu(2)-N(12) bond length is 2.00 Å. The Cu(2)-N(30) bond length is 2.02 Å. The Cu(2)-N(32) bond length is 2.02 Å. The Cu(2)-N(42) bond length is 2.35 Å. The Cu(2)-N(44) bond length is 2.35 Å. In the third Cu site, Cu(3) is bonded to one N(13), one N(24), one N(35), one N(4), and one N(41) atom to form distorted corner-sharing CuN5 square pyramids. The corner-sharing octahedral tilt angles are 76°. The Cu(3)-N(13) bond length is 2.03 Å. The Cu(3)-N(24) bond length is 2.02 Å. The Cu(3)-N(35) bond length is 2.48 Å. The Cu(3)-N(4) bond length is 2.00 Å. The Cu(3)-N(41) bond length is 1.99 Å. In the fourth Cu site, Cu(4) is bonded to one N(14), one N(23), one N(3), one N(36), and one N(42) atom to form distorted corner-sharing CuN5 square pyramids. The corner-sharing octahedral tilt angles are 76°. The Cu(4)-N(14) bond length is 2.03 Å. The Cu(4)-N(23) bond length is 2.02 Å. The Cu(4)-N(3) bond length is 2.00 Å. The Cu(4)-N(36) bond length is 2.48 Å. The Cu(4)-N(42) bond length is 1.99 Å. In the fifth Cu site, Cu(5) is bonded to one N(15), one N(2), one N(22), one N(33), and one N(43) atom to form distorted corner-sharing CuN5 square pyramids. The corner-sharing octahedral tilt angles are 76°. The Cu(5)-N(15) bond length is 2.03 Å. The Cu(5)-N(2) bond length is 2.00 Å. The Cu(5)-N(22) bond length is 2.02 Å. The Cu(5)-N(33) bond length is 2.48 Å. The Cu(5)-N(43) bond length is 1.99 Å. In the sixth Cu site, Cu(6) is bonded to one N(1), one N(16), one N(21), one N(34), and one N(44) atom to form distorted corner-sharing CuN5 square pyramids. The corner-sharing octahedral tilt angles are 76°. The Cu(6)-N(1) bond length is 2.00 Å. The Cu(6)-N(16) bond length is 2.03 Å. The Cu(6)-N(21) bond length is 2.02 Å. The Cu(6)-N(34) bond length is 2.47 Å. The Cu(6)-N(44) bond length is 1.99 Å. There are thirty-seven inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(1), and one H(1) atom. The C(1)-C(5) bond length is 1.39 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(6,8); one N(2); and one H(2,3,4) atom. The C(2)-C(6,8) bond length is 1.39 Å. The C(2)-N(2) bond length is 1.35 Å. The C(2)-H(2,3,4) bond length is 1.09 Å. In the third C site, C(3,4) is bonded in a distorted bent 120 degrees geometry to one C(7); one N(3); and one H(2,3,4) atom. The C(3,4)-C(7) bond length is 1.39 Å. The C(3,4)-N(3) bond length is 1.35 Å. The C(3,4)-H(2,3,4) bond length is 1.09 Å. In the fourth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(1); one C(9); and one H(5,6) atom. The C(5)-C(9) bond length is 1.40 Å. The C(5)-H(5,6) bond length is 1.09 Å. In the fifth C site, C(6,8) is bonded in a distorted trigonal planar geometry to one C(10,11,12); one C(2); and one H(5,6) atom. The C(6,8)-C(10,11,12) bond length is 1.40 Å. The C(6,8)-H(5,6) bond length is 1.09 Å. In the sixth C site, C(7) is bonded in a distorted trigonal planar geometry to one C(10,11,12); one C(3,4); and one H(7,8) atom. The C(7)-C(10,11,12) bond length is 1.40 Å. The C(7)-H(7,8) bond length is 1.09 Å. In the seventh C site, C(9) is bonded in a trigonal planar geometry to one C(13), one C(21), and one C(5) atom. The C(9)-C(13) bond length is 1.40 Å. The C(9)-C(21) bond length is 1.45 Å. In the eighth C site, C(10,11,12) is bonded in a trigonal planar geometry to one C(14,16); one C(22); and one C(6,8) atom. The C(10,11,12)-C(14,16) bond length is 1.40 Å. The C(10,11,12)-C(22) bond length is 1.45 Å. In the ninth C site, C(13) is bonded in a distorted single-bond geometry to one C(9) and one H(9,10,11,12) atom. The C(13)-H(9,10,11,12) bond length is 1.09 Å. In the tenth C site, C(14,16) is bonded in a distorted single-bond geometry to one C(10,11,12) and one H(9,10,11,12) atom. The C(14,16)-H(9,10,11,12) bond length is 1.09 Å. In the eleventh C site, C(15) is bonded in a distorted single-bond geometry to one C(10,11,12) and one H(9,10,11,12) atom. The C(15)-C(10,11,12) bond length is 1.40 Å. The C(15)-H(9,10,11,12) bond length is 1.09 Å. In the twelfth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(13,14,15,16) atom. The C(17)-N(1) bond length is 1.35 Å. The C(17)-H(13,14,15,16) bond length is 1.09 Å. In the thirteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(13,14,15,16) atom. The C(18)-N(2) bond length is 1.35 Å. The C(18)-H(13,14,15,16) bond length is 1.09 Å. In the fourteenth C site, C(19,20) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(13,14,15,16) atom. The C(19,20)-N(3) bond length is 1.35 Å. The C(19,20)-H(13,14,15,16) bond length is 1.09 Å. In the fifteenth C site, C(21) is bonded in a distorted trigonal planar geometry to one C(9), one N(17), and one N(5) atom. The C(21)-N(17) bond length is 1.35 Å. The C(21)-N(5) bond length is 1.35 Å. In the sixteenth C site, C(22) is bonded in a distorted trigonal planar geometry to one C(10,11,12); one N(18); and one N(6) atom. The C(22)-N(18) bond length is 1.35 Å. The C(22)-N(6) bond length is 1.35 Å. In the seventeenth C site, C(23) is bonded in a distorted trigonal planar geometry to one C(10,11,12); one N(19); and one N(7) atom. The C(23)-C(10,11,12) bond length is 1.45 Å. The C(23)-N(19) bond length is 1.35 Å. The C(23)-N(7) bond length is 1.35 Å. In the eighteenth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(10,11,12); one N(20); and one N(8) atom. The C(24)-C(10,11,12) bond length is 1.45 Å. The C(24)-N(20) bond length is 1.35 Å. The C(24)-N(8) bond length is 1.35 Å. In the nineteenth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one C(29,31); one N(21); and one H(17,18,19,20) atom. The C(25)-C(29,31) bond length is 1.38 Å. The C(25)-N(21) bond length is 1.35 Å. The C(25)-H(17,18,19,20) bond length is 1.09 Å. In the twentieth C site, C(26) is bonded in a distorted bent 120 degrees geometry to one C(30); one N(22); and one H(17,18,19,20) atom. The C(26)-C(30) bond length is 1.38 Å. The C(26)-N(22) bond length is 1.35 Å. The C(26)-H(17,18,19,20) bond length is 1.09 Å. In the twenty-first C site, C(27,28) is bonded in a distorted bent 120 degrees geometry to one C(29,31); one N(23); and one H(17,18,19,20) atom. The C(27,28)-C(29,31) bond length is 1.38 Å. The C(27,28)-N(23) bond length is 1.35 Å. The C(27,28)-H(17,18,19,20) bond length is 1.09 Å. In the twenty-second C site, C(29,31) is bonded in a distorted trigonal planar geometry to one C(25); one C(33,35); and one H(21,22,23,24) atom. The C(29,31)-C(33,35) bond length is 1.40 Å. The C(29,31)-H(21,22,23,24) bond length is 1.09 Å. In the twenty-third C site, C(30) is bonded in a distorted trigonal planar geometry to one C(26); one C(34); and one H(21,22,23,24) atom. The C(30)-C(34) bond length is 1.40 Å. The C(30)-H(21,22,23,24) bond length is 1.09 Å. In the twenty-fourth C site, C(32) is bonded in a distorted trigonal planar geometry to one C(27,28); one C(36); and one H(21,22,23,24) atom. The C(32)-C(27,28) bond length is 1.38 Å. The C(32)-C(36) bond length is 1.40 Å. The C(32)-H(21,22,23,24) bond length is 1.09 Å. In the twenty-fifth C site, C(33,35) is bonded in a trigonal planar geometry to one C(29,31); one C(37,39); and one C(45) atom. The C(33,35)-C(37,39) bond length is 1.40 Å. The C(33,35)-C(45) bond length is 1.45 Å. In the twenty-sixth C site, C(34) is bonded in a trigonal planar geometry to one C(30), one C(38), and one C(46) atom. The C(34)-C(38) bond length is 1.40 Å. The C(34)-C(46) bond length is 1.45 Å. In the twenty-seventh C site, C(36) is bonded in a trigonal planar geometry to one C(32), one C(40), and one C(48) atom. The C(36)-C(40) bond length is 1.40 Å. The C(36)-C(48) bond length is 1.45 Å. In the twenty-eighth C site, C(37,39) is bonded in a distorted trigonal planar geometry to one C(33,35); one C(41); and one H(25,26,27,28) atom. The C(37,39)-C(41) bond length is 1.39 Å. The C(37,39)-H(25,26,27,28) bond length is 1.09 Å. In the twenty-ninth C site, C(38) is bonded in a distorted trigonal planar geometry to one C(34); one C(42); and one H(25,26,27,28) atom. The C(38)-C(42) bond length is 1.39 Å. The C(38)-H(25,26,27,28) bond length is 1.09 Å. In the thirtieth C site, C(40) is bonded in a distorted trigonal planar geometry to one C(36); one C(43,44); and one H(25,26,27,28) atom. The C(40)-C(43,44) bond length is 1.39 Å. The C(40)-H(25,26,27,28) bond length is 1.09 Å. In the thirty-first C site, C(41) is bonded in a distorted bent 120 degrees geometry to one C(37,39); one N(21); and one H(29,30,31) atom. The C(41)-N(21) bond length is 1.35 Å. The C(41)-H(29,30,31) bond length is 1.09 Å. In the thirty-second C site, C(42) is bonded in a distorted bent 120 degrees geometry to one C(38); one N(22); and one H(29,30,31) atom. The C(42)-N(22) bond length is 1.35 Å. The C(42)-H(29,30,31) bond length is 1.09 Å. In the thirty-third C site, C(43,44) is bonded in a distorted bent 120 degrees geometry to one C(37,39); one N(23); and one H(29,30,31) atom. The C(43,44)-C(37,39) bond length is 1.39 Å. The C(43,44)-N(23) bond length is 1.35 Å. The C(43,44)-H(29,30,31) bond length is 1.09 Å. In the thirty-fourth C site, C(45) is bonded in a distorted trigonal planar geometry to one C(33,35); one N(25); and one N(37) atom. The C(45)-N(25) bond length is 1.35 Å. The C(45)-N(37) bond length is 1.35 Å. In the thirty-fifth C site, C(46) is bonded in a distorted trigonal planar geometry to one C(34), one N(26), and one N(38) atom. The C(46)-N(26) bond length is 1.35 Å. The C(46)-N(38) bond length is 1.35 Å. In the thirty-sixth C site, C(47) is bonded in a distorted trigonal planar geometry to one C(33,35); one N(27); and one N(39) atom. The C(47)-C(33,35) bond length is 1.45 Å. The C(47)-N(27) bond length is 1.35 Å. The C(47)-N(39) bond length is 1.35 Å. In the thirty-seventh C site, C(48) is bonded in a distorted trigonal planar geometry to one C(36), one N(28), and one N(40) atom. The C(48)-N(28) bond length is 1.35 Å. The C(48)-N(40) bond length is 1.35 Å. There are fifty inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(6), one C(1), and one C(17) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(5), one C(18), and one C(2) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(4); one C(19,20); and one C(3,4) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(3); one C(19,20); and one C(3,4) atom. The N(4)-C(19,20) bond length is 1.35 Å. The N(4)-C(3,4) bond length is 1.35 Å. In the fifth N site, N(5) is bonded in a water-like geometry to one C(21) and one N(9) atom. The N(5)-N(9) bond length is 1.32 Å. In the sixth N site, N(6) is bonded in a water-like geometry to one C(22) and one N(10) atom. The N(6)-N(10) bond length is 1.32 Å. In the seventh N site, N(7) is bonded in a water-like geometry to one C(23) and one N(11) atom. The N(7)-N(11) bond length is 1.32 Å. In the eighth N site, N(8) is bonded in a water-like geometry to one C(24) and one N(12) atom. The N(8)-N(12) bond length is 1.32 Å. In the ninth N site, N(9) is bonded in a distorted trigonal planar geometry to one Cu(1), one N(13), and one N(5) atom. The N(9)-N(13) bond length is 1.34 Å. In the tenth N site, N(10) is bonded in a distorted trigonal planar geometry to one Cu(2), one N(14), and one N(6) atom. The N(10)-N(14) bond length is 1.34 Å. In the eleventh N site, N(11) is bonded in a distorted trigonal planar geometry to one Cu(1), one N(15), and one N(7) atom. The N(11)-N(15) bond length is 1.34 Å. In the twelfth N site, N(12) is bonded in a distorted trigonal planar geometry to one Cu(2), one N(16), and one N(8) atom. The N(12)-N(16) bond length is 1.34 Å. In the thirteenth N site, N(13) is bonded in a distorted trigonal planar geometry to one Cu(3), one N(17), and one N(9) atom. The N(13)-N(17) bond length is 1.32 Å. In the fourteenth N site, N(14) is bonded in a distorted trigonal planar geometry to one Cu(4), one N(10), and one N(18) atom. The N(14)-N(18) bond length is 1.32 Å. In the fifteenth N site, N(15) is bonded in a distorted trigonal planar geometry to one Cu(5), one N(11), and one N(19) atom. The N(15)-N(19) bond length is 1.32 Å. In the sixteenth N site, N(16) is bonded in a distorted trigonal planar geometry to one Cu(6), one N(12), and one N(20) atom. The N(16)-N(20) bond length is 1.32 Å. In the seventeenth N site, N(17) is bonded in a water-like geometry to one C(21) and one N(13) atom. In the eighteenth N site, N(18) is bonded in a water-like geometry to one C(22) and one N(14) atom. In the nineteenth N site, N(19) is bonded in a water-like geometry to one C(23) and one N(15) atom. In the twentieth N site, N(20) is bonded in a water-like geometry to one C(24) and one N(16) atom. In the twenty-first N site, N(21) is bonded in a trigonal planar geometry to one Cu(6), one C(25), and one C(41) atom. In the twenty-second N site, N(22) is bonded in a trigonal planar geometry to one Cu(5), one C(26), and one C(42) atom. In the twenty-third N site, N(23) is bonded in a trigonal planar geometry to one Cu(4); one C(27,28); and one C(43,44) atom. In the twenty-fourth N site, N(24) is bonded in a trigonal planar geometry to one Cu(3); one C(27,28); and one C(43,44) atom. The N(24)-C(27,28) bond length is 1.35 Å. The N(24)-C(43,44) bond length is 1.35 Å. In the twenty-fifth N site, N(25) is bonded in a water-like geometry to one C(45) and one N(29) atom. The N(25)-N(29) bond length is 1.32 Å. In the twenty-sixth N site, N(26) is bonded in a water-like geometry to one C(46) and one N(30) atom. The N(26)-N(30) bond length is 1.32 Å. In the twenty-seventh N site, N(27) is bonded in a water-like geometry to one C(47) and one N(31) atom. The N(27)-N(31) bond length is 1.32 Å. In the twenty-eighth N site, N(28) is bonded in a water-like geometry to one C(48) and one N(32) atom. The N(28)-N(32) bond length is 1.32 Å. In the twenty-ninth N site, N(29) is bonded in a distorted trigonal planar geometry to one Cu(1), one N(25), and one N(33) atom. The N(29)-N(33) bond length is 1.34 Å. In the thirtieth N site, N(30) is bonded in a distorted trigonal planar geometry to one Cu(2), one N(26), and one N(34) atom. The N(30)-N(34) bond length is 1.34 Å. In the thirty-first N site, N(31) is bonded in a distorted trigonal planar geometry to one Cu(1), one N(27), and one N(35) atom. The N(31)-N(35) bond length is 1.34 Å. In the thirty-second N site, N(32) is bonded in a distorted trigonal planar geometry to one Cu(2), one N(28), and one N(36) atom. The N(32)-N(36) bond length is 1.34 Å. In the thirty-third N site, N(33) is bonded in a distorted trigonal non-coplanar geometry to one Cu(5), one N(29), and one N(37) atom. The N(33)-N(37) bond length is 1.33 Å. In the thirty-fourth N site, N(34) is bonded in a distorted trigonal non-coplanar geometry to one Cu(6), one N(30), and one N(38) atom. The N(34)-N(38) bond length is 1.33 Å. In the thirty-fifth N site, N(35) is bonded in a distorted trigonal non-coplanar geometry to one Cu(3), one N(31), and one N(39) atom. The N(35)-N(39) bond length is 1.33 Å. In the thirty-sixth N site, N(36) is bonded in a distorted trigonal non-coplanar geometry to one Cu(4), one N(32), and one N(40) atom. The N(36)-N(40) bond length is 1.33 Å. In the thirty-seventh N site, N(37) is bonded in a water-like geometry to one C(45) and one N(33) atom. In the thirty-eighth N site, N(38) is bonded in a water-like geometry to one C(46) and one N(34) atom. In the thirty-ninth N site, N(39) is bonded in a water-like geometry to one C(47) and one N(35) atom. In the fortieth N site, N(40) is bonded in a water-like geometry to one C(48) and one N(36) atom. In the forty-first N site, N(41) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one N(45) atom. The N(41)-N(45) bond length is 1.21 Å. In the forty-second N site, N(42) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(4), and one N(46) atom. The N(42)-N(46) bond length is 1.21 Å. In the forty-third N site, N(43) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(5), and one N(47) atom. The N(43)-N(47) bond length is 1.21 Å. In the forty-fourth N site, N(44) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(6), and one N(48) atom. The N(44)-N(48) bond length is 1.21 Å. In the forty-fifth N site, N(45) is bonded in a linear geometry to one N(41) and one N(49,50,51) atom. The N(45)-N(49,50,51) bond length is 1.17 Å. In the forty-sixth N site, N(46) is bonded in a linear geometry to one N(42) and one N(49,50,51) atom. The N(46)-N(49,50,51) bond length is 1.17 Å. In the forty-seventh N site, N(47) is bonded in a linear geometry to one N(43) and one N(49,50,51) atom. The N(47)-N(49,50,51) bond length is 1.17 Å. In the forty-eighth N site, N(48) is bonded in a linear geometry to one N(44) and one N(52) atom. The N(48)-N(52) bond length is 1.17 Å. In the forty-ninth N site, N(49,50,51) is bonded in a single-bond geometry to one N(45) atom. In the fiftieth N site, N(52) is bonded in a single-bond geometry to one N(48) 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(2,3,4) 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(5) atom. In the fourth H site, H(7,8) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(9,10,11,12) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(13,14,15,16) is bonded in a single-bond geometry to one C(17) atom. In the seventh H site, H(17,18,19,20) is bonded in a single-bond geometry to one C(25) atom. In the eighth H site, H(21,22,23,24) is bonded in a single-bond geometry to one C(29,31) atom. In the ninth H site, H(25,26,27,28) is bonded in a single-bond geometry to one C(37,39) atom. In the tenth H site, H(29,30,31) is bonded in a single-bond geometry to one C(41) atom. In the eleventh H site, H(32) is bonded in a single-bond geometry to one C(43,44) atom. The H(32)-C(43,44) bond length is 1.09 Å. Linkers: 1 c1cc(C2=N[N]N=N2)ccn1 ,7 c1cc(C2=NN=N[N]2)ccn1. Metal clusters: 6 [Cu]. The MOF has largest included sphere 5.95 A, density 1.12 g/cm3, surface area 4746.06 m2/g, accessible volume 0.43 cm3/g