Cu9C74N13H62O12(CH)3 crystallizes in the tetragonal P4_2/nmc space group. The structure consists of eight propylene molecules inside a Cu9C74N13H62O12 framework. In each Cu9C74N13H62O12 framework, there are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one N(3) and one N(7) atom. The Cu(1)-N(3) bond length is 1.82 Å. The Cu(1)-N(7) bond length is 1.87 Å. In the second Cu site, Cu(2) is bonded in a linear geometry to one N(5) and one N(6) atom. The Cu(2)-N(5) bond length is 1.81 Å. The Cu(2)-N(6) bond length is 1.79 Å. In the third Cu site, Cu(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(4) and two equivalent O(5) atoms. Both Cu(3)-O(4) bond lengths are 2.00 Å. Both Cu(3)-O(5) bond lengths are 1.94 Å. In the fourth Cu site, Cu(4) is bonded in a linear geometry to one N(1) and one N(2) atom. The Cu(4)-N(1) bond length is 1.83 Å. The Cu(4)-N(2) bond length is 1.87 Å. In the fifth Cu site, Cu(5) is bonded in a distorted square pyramidal geometry to one N(4), two equivalent O(3), and two equivalent O(6) atoms. The Cu(5)-N(4) bond length is 2.19 Å. Both Cu(5)-O(3) bond lengths are 1.91 Å. Both Cu(5)-O(6) bond lengths are 1.91 Å. In the sixth Cu site, Cu(6) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. All Cu(6)-O(2) bond lengths are 1.96 Å. In the seventh Cu site, Cu(7) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. All Cu(7)-O(1) bond lengths are 1.98 Å. There are thirty-seven inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one C(22), one C(5), and one N(3) atom. The C(1)-C(22) bond length is 1.39 Å. The C(1)-C(5) bond length is 1.51 Å. The C(1)-N(3) bond length is 1.37 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(39), one C(6), and one N(2) atom. The C(2)-C(39) bond length is 1.51 Å. The C(2)-C(6) bond length is 1.36 Å. The C(2)-N(2) bond length is 1.34 Å. In the third C site, C(7) is bonded in a trigonal planar geometry to one C(10), one C(19), and one C(25) atom. The C(7)-C(10) bond length is 1.40 Å. The C(7)-C(19) bond length is 1.60 Å. The C(7)-C(25) bond length is 1.40 Å. In the fourth C site, C(3) is bonded in a distorted single-bond geometry to one C(35) and one H(18) atom. The C(3)-C(35) bond length is 1.39 Å. The C(3)-H(18) bond length is 0.95 Å. In the fifth C site, C(4) is bonded in a trigonal planar geometry to one C(29), one C(30), and one C(32) atom. The C(4)-C(29) bond length is 1.51 Å. The C(4)-C(30) bond length is 1.39 Å. The C(4)-C(32) bond length is 1.38 Å. In the sixth C site, C(5) is bonded in a trigonal non-coplanar geometry to one C(1), one H(10), one H(12), and one H(24) atom. The C(5)-H(10) bond length is 0.98 Å. The C(5)-H(12) bond length is 0.98 Å. The C(5)-H(24) bond length is 0.98 Å. In the seventh C site, C(8) is bonded in a trigonal non-coplanar geometry to one C(31), one H(15), one H(2), and one H(30) atom. The C(8)-C(31) bond length is 1.52 Å. The C(8)-H(15) bond length is 0.98 Å. The C(8)-H(2) bond length is 0.98 Å. The C(8)-H(30) bond length is 0.98 Å. In the eighth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(24), one C(26), and one H(20) atom. The C(16)-C(24) bond length is 1.38 Å. The C(16)-C(26) bond length is 1.40 Å. The C(16)-H(20) bond length is 0.95 Å. In the ninth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(32), one C(7), and one H(5) atom. The C(10)-C(32) bond length is 1.38 Å. The C(10)-H(5) bond length is 0.95 Å. In the tenth C site, C(15) is bonded in a trigonal non-coplanar geometry to one C(38), one H(13), one H(22), and one H(4) atom. The C(15)-C(38) bond length is 1.52 Å. The C(15)-H(13) bond length is 0.98 Å. The C(15)-H(22) bond length is 0.98 Å. The C(15)-H(4) bond length is 0.98 Å. In the eleventh C site, C(18) is bonded in a distorted trigonal planar geometry to one C(11), one C(22), and one N(5) atom. The C(18)-C(11) bond length is 1.53 Å. The C(18)-C(22) bond length is 1.37 Å. The C(18)-N(5) bond length is 1.37 Å. In the twelfth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(3), and one O(4) atom. The C(19)-O(3) bond length is 1.20 Å. The C(19)-O(4) bond length is 1.28 Å. In the thirteenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(24), one O(1), and one O(2) atom. The C(20)-C(24) bond length is 1.46 Å. The C(20)-O(1) bond length is 1.31 Å. The C(20)-O(2) bond length is 1.16 Å. In the fourteenth C site, C(21) is bonded in a trigonal planar geometry to one C(22), one C(27), and one C(37) atom. The C(21)-C(22) bond length is 1.48 Å. The C(21)-C(27) bond length is 1.39 Å. The C(21)-C(37) bond length is 1.40 Å. In the fifteenth C site, C(22) is bonded in a trigonal planar geometry to one C(1), one C(18), and one C(21) atom. In the sixteenth C site, C(23) is bonded in a distorted trigonal planar geometry to one C(14), one C(29), and one N(6) atom. The C(23)-C(14) bond length is 1.50 Å. The C(23)-C(29) bond length is 1.36 Å. The C(23)-N(6) bond length is 1.36 Å. In the seventeenth C site, C(24) is bonded in a trigonal planar geometry to one C(16), one C(20), and one C(36) atom. The C(24)-C(36) bond length is 1.38 Å. In the eighteenth C site, C(25) is bonded in a distorted trigonal planar geometry to one C(30), one C(7), and one H(21) atom. The C(25)-C(30) bond length is 1.38 Å. The C(25)-H(21) bond length is 0.95 Å. In the nineteenth C site, C(26) is bonded in a distorted single-bond geometry to one C(16), one C(35), and one H(17) atom. The C(26)-C(35) bond length is 1.39 Å. The C(26)-H(17) bond length is 0.95 Å. In the twentieth C site, C(27) is bonded in a distorted single-bond geometry to one C(21), one C(33), and one H(3) atom. The C(27)-C(33) bond length is 1.39 Å. The C(27)-H(3) bond length is 0.95 Å. In the twenty-first C site, C(28) is bonded in a distorted single-bond geometry to one C(12) and one H(9) atom. The C(28)-C(12) bond length is 1.39 Å. The C(28)-H(9) bond length is 0.95 Å. In the twenty-second C site, C(29) is bonded in a trigonal planar geometry to one C(23), one C(31), and one C(4) atom. The C(29)-C(31) bond length is 1.38 Å. In the twenty-third C site, C(30) is bonded in a distorted single-bond geometry to one C(25), one C(4), and one H(25) atom. The C(30)-H(25) bond length is 0.95 Å. In the twenty-fourth C site, C(31) is bonded in a distorted trigonal planar geometry to one C(29), one C(8), and one N(1) atom. The C(31)-N(1) bond length is 1.35 Å. In the twenty-fifth C site, C(32) is bonded in a distorted single-bond geometry to one C(10), one C(4), and one H(31) atom. The C(32)-H(31) bond length is 0.95 Å. In the twenty-sixth C site, C(33) is bonded in a distorted trigonal planar geometry to one C(12), one C(27), and one H(7) atom. The C(33)-C(12) bond length is 1.39 Å. The C(33)-H(7) bond length is 0.95 Å. In the twenty-seventh C site, C(35) is bonded in a trigonal planar geometry to one C(26), one C(3), and one C(6) atom. The C(35)-C(6) bond length is 1.49 Å. In the twenty-eighth C site, C(36) is bonded in a distorted single-bond geometry to one C(24) and one H(26) atom. The C(36)-H(26) bond length is 0.95 Å. In the twenty-ninth C site, C(37) is bonded in a single-bond geometry to one C(21) and one H(11) atom. The C(37)-H(11) bond length is 0.95 Å. In the thirtieth C site, C(38) is bonded in a 3-coordinate geometry to one C(15), one C(6), and one N(7) atom. The C(38)-C(6) bond length is 1.35 Å. The C(38)-N(7) bond length is 1.36 Å. In the thirty-first C site, C(39) is bonded in a trigonal non-coplanar geometry to one C(2), one H(1), one H(16), and one H(23) atom. The C(39)-H(1) bond length is 0.98 Å. The C(39)-H(16) bond length is 0.98 Å. The C(39)-H(23) bond length is 0.98 Å. In the thirty-second C site, C(6) is bonded in a trigonal planar geometry to one C(2), one C(35), and one C(38) atom. In the thirty-third C site, C(9) is bonded in a bent 120 degrees geometry to one C(12), one O(5), and one O(6) atom. The C(9)-C(12) bond length is 1.45 Å. The C(9)-O(5) bond length is 1.24 Å. The C(9)-O(6) bond length is 1.22 Å. In the thirty-fourth C site, C(11) is bonded in a trigonal non-coplanar geometry to one C(18); one H(33); and two equivalent H(19,27) atoms. The C(11)-H(33) bond length is 0.98 Å. Both C(11)-H(19,27) bond lengths are 0.98 Å. In the thirty-fifth C site, C(12) is bonded in a trigonal planar geometry to one C(28), one C(33), and one C(9) atom. In the thirty-sixth C site, C(14) is bonded in a trigonal non-coplanar geometry to one C(23), one H(29), one H(6), and one H(8) atom. The C(14)-H(29) bond length is 0.98 Å. The C(14)-H(6) bond length is 0.98 Å. The C(14)-H(8) bond length is 0.98 Å. In the thirty-seventh C site, C(17) is bonded in a 2-coordinate geometry to one N(4) and one H(28) atom. The C(17)-N(4) bond length is 1.39 Å. The C(17)-H(28) bond length is 0.95 Å. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Cu(4), one C(31), and one N(6) atom. The N(1)-N(6) bond length is 1.33 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Cu(4), one C(2), and one N(7) atom. The N(2)-N(7) bond length is 1.33 Å. In the third N site, N(3) is bonded in a 2-coordinate geometry to one Cu(1), one C(1), and one N(5) atom. The N(3)-N(5) bond length is 1.33 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(5) and two equivalent C(17) atoms. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(18), and one N(3) atom. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one Cu(2), one C(23), and one N(1) atom. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Cu(1), one C(38), and one N(2) atom. There are thirty inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(39) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(8) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(27) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(15) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(33) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(14) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(28) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(5) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(37) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(5) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(15) atom. In the fourteenth H site, H(15) is bonded in a single-bond geometry to one C(8) atom. In the fifteenth H site, H(16) is bonded in a single-bond geometry to one C(39) atom. In the sixteenth H site, H(17) is bonded in a single-bond geometry to one C(26) atom. In the seventeenth H site, H(18) is bonded in a single-bond geometry to one C(3) atom. In the eighteenth H site, H(19,27) is bonded in a single-bond geometry to one C(11) atom. In the nineteenth H site, H(20) is bonded in a single-bond geometry to one C(16) atom. In the twentieth H site, H(21) is bonded in a single-bond geometry to one C(25) atom. In the twenty-first H site, H(22) is bonded in a single-bond geometry to one C(15) atom. In the twenty-second H site, H(23) is bonded in a single-bond geometry to one C(39) atom. In the twenty-third H site, H(24) is bonded in a single-bond geometry to one C(5) atom. In the twenty-fourth H site, H(25) is bonded in a single-bond geometry to one C(30) atom. In the twenty-fifth H site, H(26) is bonded in a single-bond geometry to one C(36) atom. In the twenty-sixth H site, H(28) is bonded in a single-bond geometry to one C(17) atom. In the twenty-seventh H site, H(29) is bonded in a single-bond geometry to one C(14) atom. In the twenty-eighth H site, H(30) is bonded in a single-bond geometry to one C(8) atom. In the twenty-ninth H site, H(31) is bonded in a single-bond geometry to one C(32) atom. In the thirtieth H site, H(33) is bonded in a single-bond geometry to one C(11) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(7) and one C(20) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(6) and one C(20) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(5) and one C(19) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(3) and one C(19) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cu(3) and one C(9) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(5) and one C(9) atom. Linkers: 19 CC1=N[N]C(C)=C1c1ccc(C([O])=O)cc1 ,22 C[C]1N=NC(C)=C1c1ccc(C([O])=O)cc1 ,7 CC1=NN=C(C)[C]1c1ccc(C([O])=O)cc1. Metal clusters: 16 N1=N\[Cu]/N=N\[Cu]/N=N\[Cu]/1 ,16 [Cu] ,4 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4. The MOF has largest included sphere 19.72 A, density 0.60 g/cm3, surface area 4298.40 m2/g, accessible volume 1.28 cm3/g