ZnC8NH5O5 crystallizes in the trigonal R-3 space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted square pyramidal geometry to one O(1), one O(14), one O(15), one O(17), and one O(5) atom. The Zn(1)-O(1) bond length is 2.05 Å. The Zn(1)-O(14) bond length is 2.04 Å. The Zn(1)-O(15) bond length is 2.04 Å. The Zn(1)-O(17) bond length is 2.13 Å. The Zn(1)-O(5) bond length is 2.09 Å. In the second Zn site, Zn(2) is bonded in a distorted square pyramidal geometry to one O(13), one O(16), one O(18), one O(2), and one O(6) atom. The Zn(2)-O(13) bond length is 2.07 Å. The Zn(2)-O(16) bond length is 2.05 Å. The Zn(2)-O(18) bond length is 2.13 Å. The Zn(2)-O(2) bond length is 2.09 Å. The Zn(2)-O(6) bond length is 2.01 Å. In the third Zn site, Zn(3) is bonded in a trigonal bipyramidal geometry to one O(10), one O(12), one O(19), one O(4), and one O(8) atom. The Zn(3)-O(10) bond length is 2.05 Å. The Zn(3)-O(12) bond length is 2.06 Å. The Zn(3)-O(19) bond length is 2.12 Å. The Zn(3)-O(4) bond length is 2.06 Å. The Zn(3)-O(8) bond length is 2.09 Å. In the fourth Zn site, Zn(4) is bonded in a distorted trigonal bipyramidal geometry to one O(11), one O(20), one O(3), one O(7), and one O(9) atom. The Zn(4)-O(11) bond length is 2.05 Å. The Zn(4)-O(20) bond length is 2.15 Å. The Zn(4)-O(3) bond length is 2.05 Å. The Zn(4)-O(7) bond length is 2.01 Å. The Zn(4)-O(9) bond length is 2.07 Å. There are thirty-two inequivalent C sites. In the first C site, C(15) is bonded in a bent 120 degrees geometry to one C(11), one O(5), and one O(6) atom. The C(15)-C(11) bond length is 1.50 Å. The C(15)-O(5) bond length is 1.28 Å. The C(15)-O(6) bond length is 1.28 Å. In the second C site, C(16) is bonded in a bent 120 degrees geometry to one C(13), one O(7), and one O(8) atom. The C(16)-C(13) bond length is 1.50 Å. The C(16)-O(7) bond length is 1.28 Å. The C(16)-O(8) bond length is 1.27 Å. In the third C site, C(17) is bonded in a trigonal planar geometry to one C(18), one C(22), and one C(23) atom. The C(17)-C(18) bond length is 1.40 Å. The C(17)-C(22) bond length is 1.40 Å. The C(17)-C(23) bond length is 1.50 Å. In the fourth C site, C(18) is bonded in a distorted single-bond geometry to one C(17), one C(19), and one H(7) atom. The C(18)-C(19) bond length is 1.40 Å. The C(18)-H(7) bond length is 1.09 Å. In the fifth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(18), one C(20), and one N(3) atom. The C(19)-C(20) bond length is 1.40 Å. The C(19)-N(3) bond length is 1.41 Å. In the sixth C site, C(20) is bonded in a distorted single-bond geometry to one C(19), one C(21), and one H(8) atom. The C(20)-C(21) bond length is 1.40 Å. The C(20)-H(8) bond length is 1.09 Å. In the seventh C site, C(21) is bonded in a trigonal planar geometry to one C(20), one C(22), and one C(24) atom. The C(21)-C(22) bond length is 1.40 Å. The C(21)-C(24) bond length is 1.50 Å. In the eighth C site, C(22) is bonded in a distorted single-bond geometry to one C(17), one C(21), and one H(9) atom. The C(22)-H(9) bond length is 1.09 Å. In the ninth C site, C(23) is bonded in a bent 120 degrees geometry to one C(17), one O(10), and one O(9) atom. The C(23)-O(10) bond length is 1.27 Å. The C(23)-O(9) bond length is 1.28 Å. In the tenth C site, C(24) is bonded in a bent 120 degrees geometry to one C(21), one O(11), and one O(12) atom. The C(24)-O(11) bond length is 1.27 Å. The C(24)-O(12) bond length is 1.28 Å. In the eleventh C site, C(25) is bonded in a distorted single-bond geometry to one C(26), one C(30), and one H(10) atom. The C(25)-C(26) bond length is 1.40 Å. The C(25)-C(30) bond length is 1.40 Å. The C(25)-H(10) bond length is 1.09 Å. In the twelfth C site, C(26) is bonded in a trigonal planar geometry to one C(25), one C(27), and one C(31) atom. The C(26)-C(27) bond length is 1.40 Å. The C(26)-C(31) bond length is 1.50 Å. In the thirteenth C site, C(27) is bonded in a distorted single-bond geometry to one C(26), one C(28), and one H(11) atom. The C(27)-C(28) bond length is 1.40 Å. The C(27)-H(11) bond length is 1.09 Å. In the fourteenth C site, C(28) is bonded in a trigonal planar geometry to one C(27), one C(29), and one C(32) atom. The C(28)-C(29) bond length is 1.39 Å. The C(28)-C(32) bond length is 1.50 Å. In the fifteenth C site, C(29) is bonded in a distorted single-bond geometry to one C(28), one C(30), and one H(12) atom. The C(29)-C(30) bond length is 1.40 Å. The C(29)-H(12) bond length is 1.09 Å. In the sixteenth C site, C(30) is bonded in a distorted trigonal planar geometry to one C(25), one C(29), and one N(4) atom. The C(30)-N(4) bond length is 1.42 Å. In the seventeenth C site, C(31) is bonded in a bent 120 degrees geometry to one C(26), one O(13), and one O(14) atom. The C(31)-O(13) bond length is 1.28 Å. The C(31)-O(14) bond length is 1.27 Å. In the eighteenth C site, C(32) is bonded in a bent 120 degrees geometry to one C(28), one O(15), and one O(16) atom. The C(32)-O(15) bond length is 1.28 Å. The C(32)-O(16) bond length is 1.27 Å. In the nineteenth 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 1.40 Å. The C(1)-C(6) bond length is 1.40 Å. The C(1)-C(7) bond length is 1.50 Å. In the twentieth 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 1.40 Å. The C(2)-H(1) bond length is 1.09 Å. In the twenty-first C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(4), and one N(1) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-N(1) bond length is 1.41 Å. In the twenty-second 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 1.39 Å. The C(4)-H(2) bond length is 1.09 Å. In the twenty-third C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(8) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-C(8) bond length is 1.50 Å. In the twenty-fourth 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 1.09 Å. In the twenty-fifth C site, C(7) is bonded in a bent 120 degrees geometry to one C(1), one O(1), and one O(2) atom. The C(7)-O(1) bond length is 1.28 Å. The C(7)-O(2) bond length is 1.27 Å. In the twenty-sixth C site, C(8) is bonded in a bent 120 degrees geometry to one C(5), one O(3), and one O(4) atom. The C(8)-O(3) bond length is 1.28 Å. The C(8)-O(4) bond length is 1.28 Å. In the twenty-seventh C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(14), and one N(2) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-C(14) bond length is 1.40 Å. The C(9)-N(2) bond length is 1.42 Å. In the twenty-eighth C site, C(10) is bonded in a distorted single-bond geometry to one C(11), one C(9), and one H(4) atom. The C(10)-C(11) bond length is 1.39 Å. The C(10)-H(4) bond length is 1.09 Å. In the twenty-ninth C site, C(11) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(15) atom. The C(11)-C(12) bond length is 1.40 Å. In the thirtieth C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one C(13), and one H(5) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-H(5) bond length is 1.09 Å. In the thirty-first C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(16) atom. The C(13)-C(14) bond length is 1.40 Å. In the thirty-second C site, C(14) is bonded in a distorted single-bond geometry to one C(13), one C(9), and one H(6) atom. The C(14)-H(6) bond length is 1.09 Å. There are four inequivalent N sites. In the first N site, N(4) is bonded in a distorted single-bond geometry to one C(30) and one N(3) atom. The N(4)-N(3) bond length is 1.27 Å. In the second N site, N(1) is bonded in a distorted bent 120 degrees geometry to one C(3) and one N(2) atom. The N(1)-N(2) bond length is 1.27 Å. In the third N site, N(2) is bonded in a distorted bent 120 degrees geometry to one C(9) and one N(1) atom. In the fourth N site, N(3) is bonded in a bent 120 degrees geometry to one C(19) and one N(4) atom. There are twenty 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(10) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(12) 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(18) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(20) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(22) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(25) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(27) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(29) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(17) atom. The H(13)-O(17) bond length is 0.98 Å. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(17) atom. The H(14)-O(17) bond length is 0.98 Å. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(18) atom. The H(15)-O(18) bond length is 0.98 Å. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(18) atom. The H(16)-O(18) bond length is 0.98 Å. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one O(19) atom. The H(17)-O(19) bond length is 0.98 Å. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one O(19) atom. The H(18)-O(19) bond length is 0.98 Å. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one O(20) atom. The H(19)-O(20) bond length is 0.98 Å. In the twentieth H site, H(20) is bonded in a single-bond geometry to one O(20) atom. The H(20)-O(20) bond length is 0.98 Å. There are twenty 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 bent 120 degrees geometry to one Zn(2) and one C(7) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Zn(4) and one C(8) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Zn(3) and one C(8) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(15) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(15) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(4) and one C(16) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(16) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Zn(4) and one C(23) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(23) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Zn(4) and one C(24) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(24) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(31) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(31) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(32) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(32) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one H(13), and one H(14) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Zn(2), one H(15), and one H(16) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Zn(3), one H(17), and one H(18) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal non-coplanar geometry to one Zn(4), one H(19), and one H(20) atom. Linkers: 12 [O]C(=O)c1cc([N][N]c2cc(C([O])=O)cc(C([O])=O)c2)cc(C([O])=O)c1. Metal clusters: 12 O.O.[C]1O[Zn]234O[C]O[Zn]2(O1)(O[C]O3)O[C]O4. RCSR code: nbo. The MOF has largest included sphere 10.99 A, density 0.83 g/cm3, surface area 4058.20 m2/g, accessible volume 0.87 cm3/g