ZnC8NH3O4 crystallizes in the trigonal P-3 space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(10), one O(11), and one O(7) atom. The Zn(1)-O(1) bond length is 2.02 Å. The Zn(1)-O(10) bond length is 1.99 Å. The Zn(1)-O(11) bond length is 2.11 Å. The Zn(1)-O(7) bond length is 2.01 Å. In the second Zn site, Zn(2) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(2), one O(8), and one O(9) atom. The Zn(2)-O(12) bond length is 1.95 Å. The Zn(2)-O(2) bond length is 2.02 Å. The Zn(2)-O(8) bond length is 2.14 Å. The Zn(2)-O(9) bond length is 2.05 Å. In the third Zn site, Zn(3) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. The Zn(3)-O(3) bond length is 2.04 Å. The Zn(3)-O(4) bond length is 2.04 Å. The Zn(3)-O(5) bond length is 2.00 Å. The Zn(3)-O(6) bond length is 2.06 Å. There are twenty-four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(7) atom. The C(1)-C(2) bond length is 1.31 Å. The C(1)-C(6) bond length is 1.46 Å. The C(1)-C(7) bond length is 1.62 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one H(1) atom. The C(2)-C(3) bond length is 1.44 Å. The C(2)-H(1) bond length is 0.95 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(24), and one C(4) atom. The C(3)-C(24) bond length is 1.43 Å. The C(3)-C(4) bond length is 1.45 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(2) atom. The C(4)-C(5) bond length is 1.30 Å. The C(4)-H(2) bond length is 0.95 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 N(1) atom. The C(5)-C(6) bond length is 1.46 Å. The C(5)-N(1) bond length is 1.54 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(1), one C(5), and one H(3) atom. The C(6)-H(3) bond length is 0.95 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(2) atom. The C(7)-O(1) bond length is 1.32 Å. The C(7)-O(2) bond length is 1.17 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(13), one C(14), and one C(9) atom. The C(8)-C(13) bond length is 1.40 Å. The C(8)-C(14) bond length is 1.46 Å. The C(8)-C(9) bond length is 1.46 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(10), one C(8), and one H(4) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-H(4) bond length is 0.95 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one C(9), and one N(2) atom. The C(10)-C(11) bond length is 1.24 Å. The C(10)-N(2) bond length is 1.66 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(10), one C(12), and one H(5) atom. The C(11)-C(12) bond length is 1.46 Å. The C(11)-H(5) bond length is 0.95 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(15) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-C(15) bond length is 1.44 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(12), one C(8), and one H(6) atom. The C(13)-H(6) bond length is 0.95 Å. In the fourteenth C site, C(14) is bonded in a bent 120 degrees geometry to one C(8), one O(7), and one O(8) atom. The C(14)-O(7) bond length is 1.32 Å. The C(14)-O(8) bond length is 1.18 Å. In the fifteenth C site, C(15) is bonded in a bent 120 degrees geometry to one C(12), one O(5), and one O(6) atom. The C(15)-O(5) bond length is 1.30 Å. The C(15)-O(6) bond length is 1.36 Å. In the sixteenth C site, C(16) is bonded in a trigonal planar geometry to one C(17), one C(21), and one C(23) atom. The C(16)-C(17) bond length is 1.34 Å. The C(16)-C(21) bond length is 1.39 Å. The C(16)-C(23) bond length is 1.60 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(16), one C(18), and one H(7) atom. The C(17)-C(18) bond length is 1.42 Å. The C(17)-H(7) bond length is 0.95 Å. In the eighteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(17), one C(19), and one N(3) atom. The C(18)-C(19) bond length is 1.41 Å. The C(18)-N(3) bond length is 1.41 Å. In the nineteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(18), one C(20), and one H(8) atom. The C(19)-C(20) bond length is 1.36 Å. The C(19)-H(8) bond length is 0.95 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(21), and one C(22) atom. The C(20)-C(21) bond length is 1.45 Å. The C(20)-C(22) bond length is 1.64 Å. In the twenty-first C site, C(21) is bonded in a distorted single-bond geometry to one C(16), one C(20), and one H(9) atom. The C(21)-H(9) bond length is 0.95 Å. In the twenty-second C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(20), one O(11), and one O(12) atom. The C(22)-O(11) bond length is 1.36 Å. The C(22)-O(12) bond length is 1.16 Å. In the twenty-third C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(10), and one O(9) atom. The C(23)-O(10) bond length is 1.32 Å. The C(23)-O(9) bond length is 1.19 Å. In the twenty-fourth C site, C(24) is bonded in a bent 120 degrees geometry to one C(3), one O(3), and one O(4) atom. The C(24)-O(3) bond length is 1.30 Å. The C(24)-O(4) bond length is 1.27 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one C(5) and one N(2) atom. The N(1)-N(2) bond length is 1.13 Å. In the second N site, N(2) is bonded in a water-like geometry to one C(10) and one N(1) atom. In the third N site, N(3) is bonded in a distorted bent 120 degrees geometry to one C(18) and one N(3) atom. The N(3)-N(3) bond length is 1.33 Å. There are nine 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(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(6) 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(11) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(13) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(17) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(19) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(21) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one C(7) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Zn(2) and one C(7) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Zn(3) and one C(24) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Zn(3) and one C(24) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Zn(3) and one C(15) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Zn(3) and one C(15) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Zn(1) and one C(14) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one C(14) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Zn(2) and one C(23) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one C(23) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one C(22) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Zn(2) and one C(22) atom. Linkers: 9 [O]C(=O)c1cc([N][N]c2cc(C([O])=O)cc(C([O])=O)c2)cc(C([O])=O)c1. Metal clusters: 9 [C]1O[Zn]23O[C]O[Zn](O1)(O[C]O2)O[C]O3. RCSR code: nbo. The MOF has largest included sphere 11.65 A, density 0.76 g/cm3, surface area 3750.38 m2/g, accessible volume 0.87 cm3/g