ZnC8H6O6I crystallizes in the monoclinic C2 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted tetrahedral geometry to two equivalent O(1) and two equivalent O(4) atoms. Both Zn(1)-O(1) bond lengths are 1.98 Å. Both Zn(1)-O(4) bond lengths are 2.00 Å. In the second Zn site, Zn(2) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Both Zn(2)-O(2) bond lengths are 2.12 Å. Both Zn(2)-O(5) bond lengths are 2.13 Å. Both Zn(2)-O(6) bond lengths are 2.12 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(1), and one O(2) atom. The C(1)-C(4) bond length is 1.51 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(2) bond length is 1.27 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(3), and one O(4) atom. The C(2)-C(3) bond length is 1.48 Å. The C(2)-O(3) bond length is 1.28 Å. The C(2)-O(4) bond length is 1.28 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(8) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(8) bond length is 1.40 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(5) atom. The C(4)-C(5) bond length is 1.40 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one C(6), and one H(5) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-H(5) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(5), one C(7), and one I(1) atom. The C(6)-C(7) bond length is 1.41 Å. The C(6)-I(1) bond length is 2.11 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(6), one C(7), and one C(8) atom. The C(7)-C(7) bond length is 1.49 Å. The C(7)-C(8) bond length is 1.40 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(3), one C(7), and one H(6) atom. The C(8)-H(6) bond length is 1.09 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. The H(1)-O(5) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. The H(2)-O(5) bond length is 0.97 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) atom. The H(3)-O(6) bond length is 1.00 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. The H(4)-O(6) bond length is 0.97 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(8) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Zn(2) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one C(2) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Zn(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Zn(2), one H(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Zn(2), one H(3), and one H(4) atom. I(1) is bonded in a single-bond geometry to one C(6) atom. Linkers: 1 [O]C(=O)c1cc(I)c(-c2cc([C]=O)c(C([O])=O)cc2I)cc1[C]=O. Metal clusters: 1 O.O.O.O.O=[C]O[Zn]1(O[C]=O)O[C]O[Zn]O[C]O1. RCSR code: dia. The MOF has largest included sphere 3.91 A, density 2.17 g/cm3, surface area 3038.53 m2/g, accessible volume 0.12 cm3/g