Zn3C50H28(NO)12(CH)4 crystallizes in the orthorhombic Fddd space group. The structure consists of sixty-four 02329_fluka molecules inside a Zn3C50H28(NO)12 framework. In the Zn3C50H28(NO)12 framework, there are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one N(4), one N(6), one O(1), one O(2), and one O(6) atom. The Zn(1)-N(4) bond length is 2.03 Å. The Zn(1)-N(6) bond length is 2.05 Å. The Zn(1)-O(1) bond length is 2.25 Å. The Zn(1)-O(2) bond length is 2.11 Å. The Zn(1)-O(6) bond length is 1.96 Å. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent O(3), and two equivalent O(4) atoms. Both Zn(2)-N(1) bond lengths are 2.03 Å. Both Zn(2)-O(3) bond lengths are 2.11 Å. Both Zn(2)-O(4) bond lengths are 2.40 Å. There are twenty-six inequivalent C sites. In the first C site, C(27) is bonded in a bent 120 degrees geometry to two equivalent C(25) atoms. Both C(27)-C(25) bond lengths are 1.39 Å. In the second C site, C(28) is bonded in a trigonal planar geometry to one C(28) and two equivalent C(26) atoms. The C(28)-C(28) bond length is 1.48 Å. Both C(28)-C(26) bond lengths are 1.40 Å. In the third C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(4), and one C(5) atom. The C(4)-C(3) bond length is 1.40 Å. The C(4)-C(4) bond length is 1.48 Å. The C(4)-C(5) bond length is 1.39 Å. In the fourth C site, C(5) is bonded in a single-bond geometry to one C(4), one C(6), and one H(2) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-H(2) bond length is 0.95 Å. In the fifth C site, C(6) is bonded in a trigonal planar geometry to one C(5), one C(7), and one C(8) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-C(8) bond length is 1.50 Å. In the sixth C site, C(7) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one H(3) atom. The C(7)-C(2) bond length is 1.40 Å. The C(7)-H(3) bond length is 0.95 Å. In the seventh C site, C(8) is bonded in a bent 120 degrees geometry to one C(6), one O(3), and one O(4) atom. The C(8)-O(3) bond length is 1.27 Å. The C(8)-O(4) bond length is 1.24 Å. In the eighth C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one H(1) atom. The C(3)-C(2) bond length is 1.38 Å. The C(3)-H(1) bond length is 0.95 Å. In the ninth C site, C(1) is bonded in a bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.53 Å. The C(1)-O(1) bond length is 1.23 Å. The C(1)-O(2) bond length is 1.26 Å. In the tenth C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(7) atom. In the eleventh C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(10), one N(1), and one H(4) atom. The C(9)-C(10) bond length is 1.36 Å. The C(9)-N(1) bond length is 1.34 Å. The C(9)-H(4) bond length is 0.95 Å. In the twelfth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(9), one N(2), and one H(5) atom. The C(10)-N(2) bond length is 1.38 Å. The C(10)-H(5) bond length is 0.95 Å. In the thirteenth C site, C(11) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(6) atom. The C(11)-N(1) bond length is 1.32 Å. The C(11)-N(2) bond length is 1.35 Å. The C(11)-H(6) bond length is 0.95 Å. In the fourteenth C site, C(12) is bonded in a distorted single-bond geometry to one C(17) and one N(2) atom. The C(12)-C(17) bond length is 1.39 Å. The C(12)-N(2) bond length is 1.41 Å. In the fifteenth C site, C(14) is bonded in a distorted single-bond geometry to one N(5) atom. The C(14)-N(5) bond length is 1.42 Å. In the sixteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(17) and one N(3) atom. The C(16)-C(17) bond length is 1.39 Å. The C(16)-N(3) bond length is 1.43 Å. In the seventeenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(12), one C(16), and one H(9) atom. The C(17)-H(9) bond length is 0.95 Å. In the eighteenth C site, C(18) is bonded in a 3-coordinate geometry to one C(19), one N(3), and one H(10) atom. The C(18)-C(19) bond length is 1.35 Å. The C(18)-N(3) bond length is 1.40 Å. The C(18)-H(10) bond length is 0.95 Å. In the nineteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(18), one N(4), and one H(11) atom. The C(19)-N(4) bond length is 1.39 Å. The C(19)-H(11) bond length is 0.95 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(12) atom. The C(20)-N(3) bond length is 1.35 Å. The C(20)-N(4) bond length is 1.32 Å. The C(20)-H(12) bond length is 0.95 Å. In the twenty-first C site, C(21) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(13) atom. The C(21)-N(5) bond length is 1.39 Å. The C(21)-H(13) bond length is 0.95 Å. In the twenty-second C site, C(22) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(14) atom. The C(22)-N(5) bond length is 1.36 Å. The C(22)-N(6) bond length is 1.32 Å. The C(22)-H(14) bond length is 0.95 Å. In the twenty-third C site, C(23) is bonded in a distorted bent 120 degrees geometry to one N(6) and one H(15) atom. The C(23)-N(6) bond length is 1.39 Å. The C(23)-H(15) bond length is 0.95 Å. In the twenty-fourth C site, C(24) is bonded in a distorted bent 120 degrees geometry to one C(25), one O(5), and one O(6) atom. The C(24)-C(25) bond length is 1.50 Å. The C(24)-O(5) bond length is 1.24 Å. The C(24)-O(6) bond length is 1.27 Å. In the twenty-fifth C site, C(25) is bonded in a trigonal planar geometry to one C(24), one C(26), and one C(27) atom. The C(25)-C(26) bond length is 1.38 Å. In the twenty-sixth C site, C(26) is bonded in a distorted single-bond geometry to one C(25), one C(28), and one H(16) atom. The C(26)-H(16) bond length is 0.95 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(2), one C(11), and one C(9) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(12) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(16), one C(18), and one C(20) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Zn(1), one C(19), and one C(20) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(14), one C(21), and one C(22) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Zn(1), one C(22), and one C(23) atom. There are fourteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(9) 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(11) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(17) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(18) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(19) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one C(20) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one C(21) atom. In the twelfth H site, H(14) is bonded in a single-bond geometry to one C(22) atom. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one C(23) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one C(26) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Zn(1) and one C(1) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Zn(1) and one C(1) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Zn(2) and one C(8) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Zn(2) and one C(8) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(24) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(24) atom. Linkers: 32 c1cn(-c2cc(-n3ccnc3)cc(-n3ccnc3)c2)cn1 ,16 [O]C(=O)c1cc(C([O])=O)cc(-c2cc(C([O])=O)cc(C([O])=O)c2)c1 ,8 [O]C(=O)c1[c]c(C([O])=O)cc(-c2cc(C([O])=O)[c]c(C([O])=O)c2)c1. Metal clusters: 32 O=[C]O[Zn]1O[C]O1 ,16 O=[C]O[Zn]O[C]=O. The MOF has largest included sphere 7.66 A, density 1.11 g/cm3, surface area 4447.61 m2/g, accessible volume 0.48 cm3/g