Ir2ZnC56H32(NO)8(CH)12 crystallizes in the tetragonal I4_1cd space group. The structure consists of ninety-six 02329_fluka molecules inside a Ir2ZnC56H32(NO)8 framework. In each Ir2ZnC56H32(NO)8 framework, Ir(1) is bonded in an octahedral geometry to one C(16), one C(5), one N(1), one N(2), one N(3), and one N(4) atom. The Ir(1)-C(16) bond length is 2.03 Å. The Ir(1)-C(5) bond length is 2.03 Å. The Ir(1)-N(1) bond length is 2.14 Å. The Ir(1)-N(2) bond length is 2.14 Å. The Ir(1)-N(3) bond length is 2.05 Å. The Ir(1)-N(4) bond length is 2.04 Å. Zn(1) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(4) atoms. Both Zn(1)-O(2) bond lengths are 1.95 Å. Both Zn(1)-O(4) bond lengths are 1.95 Å. There are twenty-eight inequivalent C sites. In the first C site, C(10) is bonded in a distorted single-bond geometry to one C(3) and one H(4) atom. The C(10)-C(3) bond length is 1.38 Å. The C(10)-H(4) bond length is 0.93 Å. In the second C site, C(12) is bonded in a distorted trigonal planar geometry to one C(1), one C(20), and one H(6) atom. The C(12)-C(1) bond length is 1.34 Å. The C(12)-C(20) bond length is 1.37 Å. The C(12)-H(6) bond length is 0.93 Å. In the third C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(2), and one H(7) atom. The C(13)-C(4) bond length is 1.40 Å. The C(13)-N(2) bond length is 1.34 Å. The C(13)-H(7) bond length is 0.93 Å. In the fourth C site, C(14) is bonded in a distorted single-bond geometry to one C(6) and one H(8) atom. The C(14)-C(6) bond length is 1.39 Å. The C(14)-H(8) bond length is 0.93 Å. In the fifth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(23), one C(33), and one H(9) atom. The C(15)-C(23) bond length is 1.37 Å. The C(15)-C(33) bond length is 1.35 Å. The C(15)-H(9) bond length is 0.93 Å. In the sixth C site, C(16) is bonded in a trigonal planar geometry to one Ir(1), one C(32), and one C(8) atom. The C(16)-C(32) bond length is 1.36 Å. The C(16)-C(8) bond length is 1.42 Å. In the seventh C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(3), and one O(4) atom. The C(18)-C(4) bond length is 1.51 Å. The C(18)-O(3) bond length is 1.22 Å. The C(18)-O(4) bond length is 1.27 Å. In the eighth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(26), one C(3), and one N(4) atom. The C(19)-C(26) bond length is 1.38 Å. The C(19)-C(3) bond length is 1.50 Å. The C(19)-N(4) bond length is 1.35 Å. In the ninth C site, C(20) is bonded in a distorted single-bond geometry to one C(12), one C(29), and one H(11) atom. The C(20)-C(29) bond length is 1.36 Å. The C(20)-H(11) bond length is 0.93 Å. In the tenth C site, C(21) is bonded in a distorted single-bond geometry to one C(4) and one H(12) atom. The C(21)-C(4) bond length is 1.37 Å. The C(21)-H(12) bond length is 0.93 Å. In the eleventh C site, C(23) is bonded in a distorted single-bond geometry to one C(15) and one H(14) atom. The C(23)-H(14) bond length is 0.93 Å. In the twelfth C site, C(26) is bonded in a distorted single-bond geometry to one C(19) and one H(17) atom. The C(26)-H(17) bond length is 0.93 Å. In the thirteenth C site, C(30) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(2) atom. The C(30)-C(1) bond length is 1.49 Å. The C(30)-O(1) bond length is 1.23 Å. The C(30)-O(2) bond length is 1.31 Å. In the fourteenth C site, C(31) is bonded in a distorted trigonal planar geometry to one C(27), one C(8), and one N(3) atom. The C(31)-C(27) bond length is 1.39 Å. The C(31)-C(8) bond length is 1.49 Å. The C(31)-N(3) bond length is 1.38 Å. In the fifteenth C site, C(32) is bonded in a distorted single-bond geometry to one C(16) and one H(20) atom. The C(32)-H(20) bond length is 0.93 Å. In the sixteenth C site, C(33) is bonded in a distorted bent 120 degrees geometry to one C(15), one N(3), and one H(21) atom. The C(33)-N(3) bond length is 1.32 Å. The C(33)-H(21) bond length is 0.93 Å. In the seventeenth C site, C(34) is bonded in a distorted bent 120 degrees geometry to one C(1), one N(1), and one H(22) atom. The C(34)-C(1) bond length is 1.38 Å. The C(34)-N(1) bond length is 1.33 Å. The C(34)-H(22) bond length is 0.93 Å. In the eighteenth C site, C(25) is bonded in a distorted single-bond geometry to one C(8) and one H(16) atom. The C(25)-C(8) bond length is 1.39 Å. The C(25)-H(16) bond length is 0.93 Å. In the nineteenth C site, C(27) is bonded in a distorted single-bond geometry to one C(31) and one H(18) atom. The C(27)-H(18) bond length is 0.93 Å. In the twentieth C site, C(29) is bonded in a distorted trigonal planar geometry to one C(20), one C(6), and one N(1) atom. The C(29)-C(6) bond length is 1.48 Å. The C(29)-N(1) bond length is 1.37 Å. In the twenty-first C site, C(1) is bonded in a trigonal planar geometry to one C(12), one C(30), and one C(34) atom. In the twenty-second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(1) atom. The C(2)-N(4) bond length is 1.35 Å. The C(2)-H(1) bond length is 0.93 Å. In the twenty-third C site, C(3) is bonded in a trigonal planar geometry to one C(10), one C(19), and one C(5) atom. The C(3)-C(5) bond length is 1.42 Å. In the twenty-fourth C site, C(4) is bonded in a trigonal planar geometry to one C(13), one C(18), and one C(21) atom. In the twenty-fifth C site, C(5) is bonded in a trigonal planar geometry to one Ir(1), one C(3), and one C(7) atom. The C(5)-C(7) bond length is 1.42 Å. In the twenty-sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(14), one C(29), and one N(2) atom. The C(6)-N(2) bond length is 1.35 Å. In the twenty-seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(5) and one H(2) atom. The C(7)-H(2) bond length is 0.93 Å. In the twenty-eighth C site, C(8) is bonded in a trigonal planar geometry to one C(16), one C(25), and one C(31) atom. There are four inequivalent N sites. In the first N site, N(2) is bonded in a trigonal planar geometry to one Ir(1), one C(13), and one C(6) atom. In the second N site, N(3) is bonded in a trigonal planar geometry to one Ir(1), one C(31), and one C(33) atom. In the third N site, N(4) is bonded in a trigonal planar geometry to one Ir(1), one C(19), and one C(2) atom. In the fourth N site, N(1) is bonded in a trigonal planar geometry to one Ir(1), one C(29), and one C(34) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(7) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(10) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(12) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(15) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(20) atom. In the ninth H site, H(12) is bonded in a single-bond geometry to one C(21) atom. In the tenth H site, H(14) is bonded in a single-bond geometry to one C(23) atom. In the eleventh H site, H(16) is bonded in a single-bond geometry to one C(25) atom. In the twelfth H site, H(17) is bonded in a single-bond geometry to one C(26) atom. In the thirteenth H site, H(18) is bonded in a single-bond geometry to one C(27) atom. In the fourteenth H site, H(20) is bonded in a single-bond geometry to one C(32) atom. In the fifteenth H site, H(21) is bonded in a single-bond geometry to one C(33) atom. In the sixteenth H site, H(22) is bonded in a single-bond geometry to one C(34) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(30) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(30) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(18) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(18) atom. Linkers: 16 [O]C(=O)c1ccc(-c2ccc(C([O])=O)cn2)nc1. Metal clusters: 8 O=[C]O[Zn](O[C]=O)(O[C]=O)O[C]=O. RCSR code: dia. The MOF has largest included sphere 4.54 A, density 1.43 g/cm3, surface area 3838.22 m2/g, accessible volume 0.24 cm3/g