Cu3H8(C2N13)2 crystallizes in the triclinic P1 space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one N(17), one N(29), one N(37), one N(41), and one N(5) atom to form corner-sharing CuN5 square pyramids. The corner-sharing octahedral tilt angles are 64°. The Cu(1)-N(17) bond length is 2.02 Å. The Cu(1)-N(29) bond length is 1.96 Å. The Cu(1)-N(37) bond length is 2.42 Å. The Cu(1)-N(41) bond length is 1.99 Å. The Cu(1)-N(5) bond length is 2.02 Å. In the second Cu site, Cu(2) is bonded to one N(18), one N(30), one N(38), one N(42), and one N(6) atom to form corner-sharing CuN5 square pyramids. The corner-sharing octahedral tilt angles are 63°. The Cu(2)-N(18) bond length is 2.02 Å. The Cu(2)-N(30) bond length is 1.96 Å. The Cu(2)-N(38) bond length is 2.42 Å. The Cu(2)-N(42) bond length is 1.98 Å. The Cu(2)-N(6) bond length is 2.02 Å. In the third Cu site, Cu(3) is bonded to one N(19), one N(31), one N(39), one N(43), and one N(7) atom to form corner-sharing CuN5 square pyramids. The corner-sharing octahedral tilt angles are 64°. The Cu(3)-N(19) bond length is 2.02 Å. The Cu(3)-N(31) bond length is 1.96 Å. The Cu(3)-N(39) bond length is 2.41 Å. The Cu(3)-N(43) bond length is 1.99 Å. The Cu(3)-N(7) bond length is 2.02 Å. In the fourth Cu site, Cu(4) is bonded to one N(20), one N(32), one N(40), one N(44), and one N(8) atom to form corner-sharing CuN5 square pyramids. The corner-sharing octahedral tilt angles are 66°. The Cu(4)-N(20) bond length is 2.04 Å. The Cu(4)-N(32) bond length is 1.97 Å. The Cu(4)-N(40) bond length is 2.41 Å. The Cu(4)-N(44) bond length is 1.99 Å. The Cu(4)-N(8) bond length is 2.01 Å. In the fifth Cu site, Cu(5) is bonded to one N(1), one N(17), one N(19), one N(3), one N(49), and one N(51) atom to form corner-sharing CuN6 octahedra. The Cu(5)-N(1) bond length is 1.98 Å. The Cu(5)-N(17) bond length is 2.08 Å. The Cu(5)-N(19) bond length is 2.08 Å. The Cu(5)-N(3) bond length is 1.98 Å. The Cu(5)-N(49) bond length is 2.45 Å. The Cu(5)-N(51) bond length is 2.45 Å. In the sixth Cu site, Cu(6) is bonded to one N(18), one N(2), one N(20), one N(4), one N(50), and one N(52) atom to form corner-sharing CuN6 octahedra. The Cu(6)-N(18) bond length is 2.08 Å. The Cu(6)-N(2) bond length is 1.98 Å. The Cu(6)-N(20) bond length is 2.09 Å. The Cu(6)-N(4) bond length is 1.97 Å. The Cu(6)-N(50) bond length is 2.46 Å. The Cu(6)-N(52) bond length is 2.43 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(9), and one H(9) atom. The C(1)-N(1) bond length is 1.32 Å. The C(1)-N(9) bond length is 1.36 Å. The C(1)-H(9) bond length is 1.08 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(10), one N(2), and one H(10) atom. The C(2)-N(10) bond length is 1.36 Å. The C(2)-N(2) bond length is 1.32 Å. The C(2)-H(10) bond length is 1.08 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(11), one N(3), and one H(11) atom. The C(3)-N(11) bond length is 1.36 Å. The C(3)-N(3) bond length is 1.32 Å. The C(3)-H(11) bond length is 1.08 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(12), one N(4), and one H(12) atom. The C(4)-N(12) bond length is 1.36 Å. The C(4)-N(4) bond length is 1.32 Å. The C(4)-H(12) bond length is 1.08 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one N(5); one N(9); and one H(13,14,15) atom. The C(5)-N(5) bond length is 1.32 Å. The C(5)-N(9) bond length is 1.36 Å. The C(5)-H(13,14,15) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one N(10); one N(6); and one H(13,14,15) atom. The C(6)-N(10) bond length is 1.36 Å. The C(6)-N(6) bond length is 1.32 Å. The C(6)-H(13,14,15) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one N(11); one N(7); and one H(13,14,15) atom. The C(7)-N(11) bond length is 1.36 Å. The C(7)-N(7) bond length is 1.32 Å. The C(7)-H(13,14,15) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one N(12), one N(8), and one H(16) atom. The C(8)-N(12) bond length is 1.36 Å. The C(8)-N(8) bond length is 1.32 Å. The C(8)-H(16) bond length is 1.09 Å. There are fifty-two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cu(5), one C(1), and one N(5) atom. The N(1)-N(5) bond length is 1.36 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(6), one C(2), and one N(6) atom. The N(2)-N(6) bond length is 1.36 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cu(5), one C(3), and one N(7) atom. The N(3)-N(7) bond length is 1.36 Å. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cu(6), one C(4), and one N(8) atom. The N(4)-N(8) bond length is 1.37 Å. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(5), and one N(1) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(6), and one N(2) atom. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Cu(3), one C(7), and one N(3) atom. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one Cu(4), one C(8), and one N(4) atom. In the ninth N site, N(9) is bonded in a distorted trigonal planar geometry to one C(1), one C(5), and one N(13) atom. The N(9)-N(13) bond length is 1.39 Å. In the tenth N site, N(10) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one N(14) atom. The N(10)-N(14) bond length is 1.39 Å. In the eleventh N site, N(11) is bonded in a distorted trigonal planar geometry to one C(3), one C(7), and one N(15) atom. The N(11)-N(15) bond length is 1.39 Å. In the twelfth N site, N(12) is bonded in a distorted trigonal planar geometry to one C(4), one C(8), and one N(16) atom. The N(12)-N(16) bond length is 1.39 Å. In the thirteenth N site, N(13) is bonded in a distorted water-like geometry to one N(9), one H(1), and one H(5) atom. The N(13)-H(1) bond length is 1.03 Å. The N(13)-H(5) bond length is 1.04 Å. In the fourteenth N site, N(14) is bonded in a distorted water-like geometry to one N(10), one H(2), and one H(6) atom. The N(14)-H(2) bond length is 1.03 Å. The N(14)-H(6) bond length is 1.04 Å. In the fifteenth N site, N(15) is bonded in a distorted water-like geometry to one N(11), one H(3), and one H(7) atom. The N(15)-H(3) bond length is 1.03 Å. The N(15)-H(7) bond length is 1.04 Å. In the sixteenth N site, N(16) is bonded in a distorted water-like geometry to one N(12), one H(4), and one H(8) atom. The N(16)-H(4) bond length is 1.03 Å. The N(16)-H(8) bond length is 1.04 Å. In the seventeenth N site, N(17) is bonded in a trigonal planar geometry to one Cu(1), one Cu(5), and one N(21) atom. The N(17)-N(21) bond length is 1.22 Å. In the eighteenth N site, N(18) is bonded in a trigonal planar geometry to one Cu(2), one Cu(6), and one N(22) atom. The N(18)-N(22) bond length is 1.22 Å. In the nineteenth N site, N(19) is bonded in a trigonal planar geometry to one Cu(3), one Cu(5), and one N(23) atom. The N(19)-N(23) bond length is 1.22 Å. In the twentieth N site, N(20) is bonded in a trigonal non-coplanar geometry to one Cu(4), one Cu(6), and one N(24) atom. The N(20)-N(24) bond length is 1.21 Å. In the twenty-first N site, N(21) is bonded in a linear geometry to one N(17) and one N(25) atom. The N(21)-N(25) bond length is 1.16 Å. In the twenty-second N site, N(22) is bonded in a linear geometry to one N(18) and one N(26) atom. The N(22)-N(26) bond length is 1.16 Å. In the twenty-third N site, N(23) is bonded in a linear geometry to one N(19) and one N(27) atom. The N(23)-N(27) bond length is 1.16 Å. In the twenty-fourth N site, N(24) is bonded in a linear geometry to one N(20) and one N(28) atom. The N(24)-N(28) bond length is 1.16 Å. In the twenty-fifth N site, N(25) is bonded in a single-bond geometry to one N(21) atom. In the twenty-sixth N site, N(26) is bonded in a single-bond geometry to one N(22) atom. In the twenty-seventh N site, N(27) is bonded in a single-bond geometry to one N(23) atom. In the twenty-eighth N site, N(28) is bonded in a single-bond geometry to one N(24) atom. In the twenty-ninth N site, N(29) is bonded in a bent 120 degrees geometry to one Cu(1) and one N(33) atom. The N(29)-N(33) bond length is 1.20 Å. In the thirtieth N site, N(30) is bonded in a bent 120 degrees geometry to one Cu(2) and one N(34) atom. The N(30)-N(34) bond length is 1.20 Å. In the thirty-first N site, N(31) is bonded in a bent 120 degrees geometry to one Cu(3) and one N(35) atom. The N(31)-N(35) bond length is 1.20 Å. In the thirty-second N site, N(32) is bonded in a bent 120 degrees geometry to one Cu(4) and one N(36) atom. The N(32)-N(36) bond length is 1.20 Å. In the thirty-third N site, N(33) is bonded in a linear geometry to one N(29) and one N(38) atom. The N(33)-N(38) bond length is 1.17 Å. In the thirty-fourth N site, N(34) is bonded in a linear geometry to one N(30) and one N(37) atom. The N(34)-N(37) bond length is 1.17 Å. In the thirty-fifth N site, N(35) is bonded in a linear geometry to one N(31) and one N(40) atom. The N(35)-N(40) bond length is 1.17 Å. In the thirty-sixth N site, N(36) is bonded in a linear geometry to one N(32) and one N(39) atom. The N(36)-N(39) bond length is 1.17 Å. In the thirty-seventh N site, N(37) is bonded in a bent 120 degrees geometry to one Cu(1) and one N(34) atom. In the thirty-eighth N site, N(38) is bonded in a bent 120 degrees geometry to one Cu(2) and one N(33) atom. In the thirty-ninth N site, N(39) is bonded in a bent 120 degrees geometry to one Cu(3) and one N(36) atom. In the fortieth N site, N(40) is bonded in a bent 120 degrees geometry to one Cu(4) and one N(35) atom. In the forty-first N site, N(41) is bonded in a bent 120 degrees geometry to one Cu(1) and one N(45) atom. The N(41)-N(45) bond length is 1.20 Å. In the forty-second N site, N(42) is bonded in a bent 120 degrees geometry to one Cu(2) and one N(46) atom. The N(42)-N(46) bond length is 1.20 Å. In the forty-third N site, N(43) is bonded in a bent 120 degrees geometry to one Cu(3) and one N(47) atom. The N(43)-N(47) bond length is 1.20 Å. In the forty-fourth N site, N(44) is bonded in a bent 120 degrees geometry to one Cu(4) and one N(48) atom. The N(44)-N(48) bond length is 1.20 Å. In the forty-fifth N site, N(45) is bonded in a linear geometry to one N(41) and one N(49) atom. The N(45)-N(49) 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(50) atom. The N(46)-N(50) 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(51) atom. The N(47)-N(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) is bonded in a water-like geometry to one Cu(5) and one N(45) atom. In the fiftieth N site, N(50) is bonded in a water-like geometry to one Cu(6) and one N(46) atom. In the fifty-first N site, N(51) is bonded in a water-like geometry to one Cu(5) and one N(47) atom. In the fifty-second N site, N(52) is bonded in a water-like geometry to one Cu(6) and one N(48) atom. There are fourteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(13) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(14) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(15) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(16) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(13) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(14) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(15) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(16) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(1) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(2) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(3) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(4) atom. In the thirteenth H site, H(13,14,15) is bonded in a single-bond geometry to one C(5) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one C(8) atom. Linkers: 4 Nn1cnnc1. Metal clusters: 6 [Cu]. The MOF has largest included sphere 1.86 A, density 2.20 g/cm3, surface area 3518.88 m2/g, accessible volume 0.07 cm3/g