Cu3C12H9(N2Cl)4(CH)4CH2 crystallizes in the triclinic P1 space group. The structure consists of eight 02329_fluka molecules and two 02329_fluka molecules inside a Cu3C12H9(N2Cl)4 framework. In the Cu3C12H9(N2Cl)4 framework, there are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one N(1), one N(3), one Cl(1), one Cl(3), and one Cl(4) atom to form distorted CuN2Cl3 square pyramids that share  a cornercorner with one Cu(3)N3Cl2 trigonal bipyramid,  a cornercorner with one Cu(4)N3Cl2 trigonal bipyramid, and  an edgeedge with one Cu(2)N2Cl3 square pyramid. The Cu(1)-N(1) bond length is 2.07 Å. The Cu(1)-N(3) bond length is 1.96 Å. The Cu(1)-Cl(1) bond length is 2.22 Å. The Cu(1)-Cl(3) bond length is 2.29 Å. The Cu(1)-Cl(4) bond length is 2.80 Å. In the second Cu site, Cu(2) is bonded to one N(2), one N(4), one Cl(2), one Cl(3), and one Cl(4) atom to form distorted CuN2Cl3 square pyramids that share  a cornercorner with one Cu(3)N3Cl2 trigonal bipyramid,  a cornercorner with one Cu(4)N3Cl2 trigonal bipyramid, and  an edgeedge with one Cu(1)N2Cl3 square pyramid. The Cu(2)-N(2) bond length is 2.07 Å. The Cu(2)-N(4) bond length is 1.96 Å. The Cu(2)-Cl(2) bond length is 2.22 Å. The Cu(2)-Cl(3) bond length is 2.81 Å. The Cu(2)-Cl(4) bond length is 2.29 Å. In the third Cu site, Cu(3) is bonded to one N(15), one N(7), one N(9), one Cl(3), and one Cl(5) atom to form CuN3Cl2 trigonal bipyramids that share  a cornercorner with one Cu(1)N2Cl3 square pyramid,  a cornercorner with one Cu(2)N2Cl3 square pyramid, and  a cornercorner with one Cu(5)NCl3 tetrahedra. The Cu(3)-N(15) bond length is 2.03 Å. The Cu(3)-N(7) bond length is 1.98 Å. The Cu(3)-N(9) bond length is 2.06 Å. The Cu(3)-Cl(3) bond length is 2.55 Å. The Cu(3)-Cl(5) bond length is 2.38 Å. In the fourth Cu site, Cu(4) is bonded to one N(10), one N(16), one N(8), one Cl(4), and one Cl(6) atom to form CuN3Cl2 trigonal bipyramids that share  a cornercorner with one Cu(1)N2Cl3 square pyramid,  a cornercorner with one Cu(2)N2Cl3 square pyramid, and  a cornercorner with one Cu(6)NCl3 tetrahedra. The Cu(4)-N(10) bond length is 2.06 Å. The Cu(4)-N(16) bond length is 2.03 Å. The Cu(4)-N(8) bond length is 1.99 Å. The Cu(4)-Cl(4) bond length is 2.55 Å. The Cu(4)-Cl(6) bond length is 2.38 Å. In the fifth Cu site, Cu(5) is bonded to one N(6), one Cl(5), one Cl(7), and one Cl(8) atom to form distorted CuNCl3 tetrahedra that share  a cornercorner with one Cu(3)N3Cl2 trigonal bipyramid and  an edgeedge with one Cu(6)NCl3 tetrahedra. The Cu(5)-N(6) bond length is 1.98 Å. The Cu(5)-Cl(5) bond length is 2.28 Å. The Cu(5)-Cl(7) bond length is 2.40 Å. The Cu(5)-Cl(8) bond length is 2.37 Å. In the sixth Cu site, Cu(6) is bonded to one N(5), one Cl(6), one Cl(7), and one Cl(8) atom to form distorted CuNCl3 tetrahedra that share  a cornercorner with one Cu(4)N3Cl2 trigonal bipyramid and  an edgeedge with one Cu(5)NCl3 tetrahedra. The Cu(6)-N(5) bond length is 1.98 Å. The Cu(6)-Cl(6) bond length is 2.29 Å. The Cu(6)-Cl(7) bond length is 2.37 Å. The Cu(6)-Cl(8) bond length is 2.40 Å. There are twenty-three inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one N(1) and one H(1,2) atom. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1,2) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one N(2) and one H(1,2) atom. The C(2)-N(2) bond length is 1.34 Å. The C(2)-H(1,2) bond length is 1.09 Å. In the third C site, C(7,8) is bonded in a distorted single-bond geometry to one C(9) and one H(7,8) atom. The C(7,8)-C(9) bond length is 1.39 Å. The C(7,8)-H(7,8) bond length is 1.09 Å. In the fourth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(11); one C(7,8); and one N(1) atom. The C(9)-C(11) bond length is 1.45 Å. The C(9)-N(1) bond length is 1.36 Å. In the fifth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(12); one C(7,8); and one N(2) atom. The C(10)-C(12) bond length is 1.45 Å. The C(10)-C(7,8) bond length is 1.39 Å. The C(10)-N(2) bond length is 1.36 Å. In the sixth C site, C(11) is bonded in a distorted water-like geometry to one C(9), one N(3), and one N(5) atom. The C(11)-N(3) bond length is 1.34 Å. The C(11)-N(5) bond length is 1.36 Å. In the seventh C site, C(12) is bonded in a distorted water-like geometry to one C(10), one N(4), and one N(6) atom. The C(12)-N(4) bond length is 1.34 Å. The C(12)-N(6) bond length is 1.36 Å. In the eighth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(15), one N(5), and one N(7) atom. The C(13)-C(15) bond length is 1.49 Å. The C(13)-N(5) bond length is 1.37 Å. The C(13)-N(7) bond length is 1.35 Å. In the ninth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(16), one N(6), and one N(8) atom. The C(14)-C(16) bond length is 1.49 Å. The C(14)-N(6) bond length is 1.37 Å. The C(14)-N(8) bond length is 1.35 Å. In the tenth C site, C(15) is bonded in a distorted water-like geometry to one C(13) and two equivalent H(9,10,11,12) atoms. Both C(15)-H(9,10,11,12) bond lengths are 1.10 Å. In the eleventh C site, C(16) is bonded in a distorted water-like geometry to one C(14) and two equivalent H(9,10,11,12) atoms. Both C(16)-H(9,10,11,12) bond lengths are 1.10 Å. In the twelfth C site, C(19) is bonded in a distorted water-like geometry to one C(21); one H(17,18); and one H(19,20) atom. The C(19)-C(21) bond length is 1.49 Å. The C(19)-H(17,18) bond length is 1.10 Å. The C(19)-H(19,20) bond length is 1.10 Å. In the thirteenth C site, C(20) is bonded in a distorted water-like geometry to one C(22); one H(17,18); and one H(19,20) atom. The C(20)-C(22) bond length is 1.49 Å. The C(20)-H(17,18) bond length is 1.10 Å. The C(20)-H(19,20) bond length is 1.10 Å. In the fourteenth C site, C(21) is bonded in a distorted trigonal planar geometry to one C(19), one N(11), and one N(9) atom. The C(21)-N(11) bond length is 1.35 Å. The C(21)-N(9) bond length is 1.34 Å. In the fifteenth C site, C(22) is bonded in a distorted trigonal planar geometry to one C(20), one N(10), and one N(12) atom. The C(22)-N(10) bond length is 1.34 Å. The C(22)-N(12) bond length is 1.35 Å. In the sixteenth C site, C(23) is bonded in a distorted trigonal planar geometry to one C(25), one N(13), and one N(9) atom. The C(23)-C(25) bond length is 1.45 Å. The C(23)-N(13) bond length is 1.33 Å. The C(23)-N(9) bond length is 1.37 Å. In the seventeenth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(26), one N(10), and one N(14) atom. The C(24)-C(26) bond length is 1.45 Å. The C(24)-N(10) bond length is 1.37 Å. The C(24)-N(14) bond length is 1.33 Å. In the eighteenth C site, C(25) is bonded in a distorted trigonal planar geometry to one C(23), one C(27), and one N(15) atom. The C(25)-C(27) bond length is 1.40 Å. The C(25)-N(15) bond length is 1.36 Å. In the nineteenth C site, C(26) is bonded in a distorted trigonal planar geometry to one C(24), one C(28), and one N(16) atom. The C(26)-C(28) bond length is 1.40 Å. The C(26)-N(16) bond length is 1.36 Å. In the twentieth C site, C(27) is bonded in a distorted single-bond geometry to one C(25) and one H(21,22) atom. The C(27)-H(21,22) bond length is 1.09 Å. In the twenty-first C site, C(28) is bonded in a distorted single-bond geometry to one C(26) and one H(21,22) atom. The C(28)-H(21,22) bond length is 1.09 Å. In the twenty-second C site, C(33) is bonded in a distorted trigonal planar geometry to one N(15) and one H(27) atom. The C(33)-N(15) bond length is 1.34 Å. The C(33)-H(27) bond length is 1.09 Å. In the twenty-third C site, C(34) is bonded in a distorted trigonal planar geometry to one N(16) and one H(28) atom. The C(34)-N(16) bond length is 1.34 Å. The C(34)-H(28) bond length is 1.09 Å. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(9) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(2), one C(10), and one C(2) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Cu(1), one C(11), and one N(7) atom. The N(3)-N(7) bond length is 1.34 Å. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Cu(2), one C(12), and one N(8) atom. The N(4)-N(8) bond length is 1.34 Å. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Cu(6), one C(11), and one C(13) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Cu(5), one C(12), and one C(14) atom. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Cu(3), one C(13), and one N(3) atom. In the eighth N site, N(8) is bonded in a 3-coordinate geometry to one Cu(4), one C(14), and one N(4) atom. In the ninth N site, N(9) is bonded in a distorted trigonal non-coplanar geometry to one Cu(3), one C(21), and one C(23) atom. In the tenth N site, N(10) is bonded in a distorted trigonal non-coplanar geometry to one Cu(4), one C(22), and one C(24) atom. In the eleventh N site, N(11) is bonded in a 2-coordinate geometry to one C(21), one N(13), and one H(29) atom. The N(11)-N(13) bond length is 1.36 Å. The N(11)-H(29) bond length is 1.04 Å. In the twelfth N site, N(12) is bonded in a 2-coordinate geometry to one C(22), one N(14), and one H(30) atom. The N(12)-N(14) bond length is 1.36 Å. The N(12)-H(30) bond length is 1.04 Å. In the thirteenth N site, N(13) is bonded in a distorted water-like geometry to one C(23) and one N(11) atom. In the fourteenth N site, N(14) is bonded in a distorted water-like geometry to one C(24) and one N(12) atom. In the fifteenth N site, N(15) is bonded in a trigonal planar geometry to one Cu(3), one C(25), and one C(33) atom. In the sixteenth N site, N(16) is bonded in a trigonal planar geometry to one Cu(4), one C(26), and one C(34) atom. There are ten 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(7,8) is bonded in a single-bond geometry to one C(7,8) atom. In the third H site, H(9,10,11,12) is bonded in a single-bond geometry to one C(15) atom. In the fourth H site, H(17,18) is bonded in a single-bond geometry to one C(19) atom. In the fifth H site, H(19,20) is bonded in a single-bond geometry to one C(19) atom. In the sixth H site, H(21,22) is bonded in a single-bond geometry to one C(27) atom. In the seventh H site, H(27) is bonded in a single-bond geometry to one C(33) atom. In the eighth H site, H(28) is bonded in a single-bond geometry to one C(34) atom. In the ninth H site, H(29) is bonded in a single-bond geometry to one N(11) and one Cl(8) atom. The H(29)-Cl(8) bond length is 2.07 Å. In the tenth H site, H(30) is bonded in a single-bond geometry to one N(12) and one Cl(7) atom. The H(30)-Cl(7) bond length is 2.07 Å. There are eight inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Cu(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Cu(2) atom. In the third Cl site, Cl(3) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Cu(4) atom. In the fifth Cl site, Cl(5) is bonded in a water-like geometry to one Cu(3) and one Cu(5) atom. In the sixth Cl site, Cl(6) is bonded in a water-like geometry to one Cu(4) and one Cu(6) atom. In the seventh Cl site, Cl(7) is bonded in a 3-coordinate geometry to one Cu(5), one Cu(6), and one H(30) atom. In the eighth Cl site, Cl(8) is bonded in a 3-coordinate geometry to one Cu(5), one Cu(6), and one H(29) atom. Linkers: 2 c1ccc(nc1)C1=N[C](N[N]1)CCCC1=[N]=C(N=N1)c1ccccn1. Metal clusters: 1 Cl[Cu](Cl)/N=N\[Cu].Cl[Cu](Cl)/N=N\[Cu].Cl[Cu]Cl.Cl[Cu]Cl. The MOF has largest included sphere 2.24 A, density 2.01 g/cm3, surface area 3564.27 m2/g, accessible volume 0.12 cm3/g