ZnC22NH13O4 crystallizes in the monoclinic P2_1 space group. The structure consists of a ZnC22NH13O4 framework. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a square pyramidal geometry to one N(2), one O(2), one O(4), one O(5), and one O(8) atom. The Zn(1)-N(2) bond length is 2.04 Å. The Zn(1)-O(2) bond length is 2.10 Å. The Zn(1)-O(4) bond length is 2.04 Å. The Zn(1)-O(5) bond length is 2.05 Å. The Zn(1)-O(8) bond length is 2.08 Å. In the second Zn site, Zn(2) is bonded in a square pyramidal geometry to one N(1), one O(1), one O(3), one O(6), and one O(7) atom. The Zn(2)-N(1) bond length is 2.03 Å. The Zn(2)-O(1) bond length is 2.05 Å. The Zn(2)-O(3) bond length is 2.11 Å. The Zn(2)-O(6) bond length is 2.11 Å. The Zn(2)-O(7) bond length is 2.05 Å. There are forty-four inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.50 Å. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(2) bond length is 1.28 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(7) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(7) bond length is 1.40 Å. In the third 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(4) bond length is 1.39 Å. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one H(2) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-H(2) bond length is 1.09 Å. In the fifth 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 1.48 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(5) and one H(3) atom. The C(6)-H(3) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(2) and one H(4) atom. The C(7)-H(4) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(13), one C(5), and one C(9) atom. The C(8)-C(13) bond length is 1.40 Å. The C(8)-C(9) bond length is 1.41 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(20), and one C(8) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-C(20) bond length is 1.48 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(11), one C(9), and one H(5) atom. The C(10)-C(11) bond length is 1.40 Å. The C(10)-H(5) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(14) atom. The C(11)-C(12) bond length is 1.41 Å. The C(11)-C(14) bond length is 1.48 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(26) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-C(26) bond length is 1.48 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 1.09 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one C(11), one C(15), and one C(19) atom. The C(14)-C(15) bond length is 1.40 Å. The C(14)-C(19) bond length is 1.41 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(14) and one H(7) atom. The C(15)-H(7) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(17) and one H(8) atom. The C(16)-C(17) bond length is 1.40 Å. The C(16)-H(8) bond length is 1.09 Å. In the seventeenth C site, C(17) is bonded in a trigonal planar geometry to one C(16), one C(18), and one C(44) atom. The C(17)-C(18) bond length is 1.40 Å. The C(17)-C(44) bond length is 1.50 Å. In the eighteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(17), one C(19), and one H(9) atom. The C(18)-C(19) bond length is 1.39 Å. The C(18)-H(9) bond length is 1.09 Å. In the nineteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(14), one C(18), and one H(10) atom. The C(19)-H(10) bond length is 1.09 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one C(21), one C(25), and one C(9) atom. The C(20)-C(21) bond length is 1.40 Å. The C(20)-C(25) bond length is 1.41 Å. In the twenty-first C site, C(21) is bonded in a distorted single-bond geometry to one C(20) and one H(11) atom. The C(21)-H(11) bond length is 1.09 Å. In the twenty-second C site, C(22) is bonded in a distorted single-bond geometry to one C(23) and one H(12) atom. The C(22)-C(23) bond length is 1.40 Å. The C(22)-H(12) bond length is 1.09 Å. In the twenty-third C site, C(23) is bonded in a trigonal planar geometry to one C(22), one C(24), and one C(43) atom. The C(23)-C(24) bond length is 1.40 Å. The C(23)-C(43) bond length is 1.50 Å. In the twenty-fourth C site, C(24) is bonded in a distorted single-bond geometry to one C(23), one C(25), and one H(13) atom. The C(24)-C(25) bond length is 1.39 Å. The C(24)-H(13) bond length is 1.09 Å. In the twenty-fifth C site, C(25) is bonded in a distorted trigonal planar geometry to one C(20), one C(24), and one H(14) atom. The C(25)-H(14) bond length is 1.09 Å. In the twenty-sixth C site, C(26) is bonded in a trigonal planar geometry to one C(12), 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 1.40 Å. In the twenty-seventh C site, C(27) is bonded in a distorted single-bond geometry to one C(26), one C(28), and one H(15) atom. The C(27)-C(28) bond length is 1.39 Å. The C(27)-H(15) bond length is 1.09 Å. In the twenty-eighth C site, C(28) is bonded in a distorted trigonal planar geometry to one C(27), one C(29), and one H(16) atom. The C(28)-C(29) bond length is 1.40 Å. The C(28)-H(16) bond length is 1.09 Å. In the twenty-ninth C site, C(29) is bonded in a trigonal planar geometry to one C(28), one C(30), and one C(42) atom. The C(29)-C(30) bond length is 1.40 Å. The C(29)-C(42) bond length is 1.50 Å. In the thirtieth C site, C(30) is bonded in a distorted single-bond geometry to one C(29) and one H(17) atom. The C(30)-H(17) bond length is 1.09 Å. In the thirty-first C site, C(31) is bonded in a distorted single-bond geometry to one C(26) and one H(18) atom. The C(31)-H(18) bond length is 1.09 Å. In the thirty-second C site, C(32) is bonded in a distorted trigonal planar geometry to one C(33), one N(1), and one H(19) atom. The C(32)-C(33) bond length is 1.39 Å. The C(32)-N(1) bond length is 1.35 Å. The C(32)-H(19) bond length is 1.09 Å. In the thirty-third C site, C(33) is bonded in a distorted single-bond geometry to one C(32), one C(34), and one H(20) atom. The C(33)-C(34) bond length is 1.40 Å. The C(33)-H(20) bond length is 1.09 Å. In the thirty-fourth C site, C(34) is bonded in a trigonal planar geometry to one C(33), one C(35), and one C(37) atom. The C(34)-C(35) bond length is 1.40 Å. The C(34)-C(37) bond length is 1.47 Å. In the thirty-fifth C site, C(35) is bonded in a distorted single-bond geometry to one C(34) and one H(21) atom. The C(35)-H(21) bond length is 1.09 Å. In the thirty-sixth C site, C(36) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(22) atom. The C(36)-N(1) bond length is 1.35 Å. The C(36)-H(22) bond length is 1.09 Å. In the thirty-seventh C site, C(37) is bonded in a trigonal planar geometry to one C(34), one C(38), and one C(41) atom. The C(37)-C(38) bond length is 1.40 Å. The C(37)-C(41) bond length is 1.40 Å. In the thirty-eighth C site, C(38) is bonded in a distorted single-bond geometry to one C(37), one C(39), and one H(23) atom. The C(38)-C(39) bond length is 1.39 Å. The C(38)-H(23) bond length is 1.09 Å. In the thirty-ninth C site, C(39) is bonded in a distorted trigonal planar geometry to one C(38), one N(2), and one H(24) atom. The C(39)-N(2) bond length is 1.34 Å. The C(39)-H(24) bond length is 1.09 Å. In the fortieth C site, C(40) is bonded in a distorted trigonal planar geometry to one C(41), one N(2), and one H(25) atom. The C(40)-C(41) bond length is 1.39 Å. The C(40)-N(2) bond length is 1.35 Å. The C(40)-H(25) bond length is 1.09 Å. In the forty-first C site, C(41) is bonded in a distorted trigonal planar geometry to one C(37), one C(40), and one H(26) atom. The C(41)-H(26) bond length is 1.09 Å. In the forty-second C site, C(42) is bonded in a distorted bent 120 degrees geometry to one C(29), one O(3), and one O(4) atom. The C(42)-O(3) bond length is 1.27 Å. The C(42)-O(4) bond length is 1.28 Å. In the forty-third C site, C(43) is bonded in a distorted bent 120 degrees geometry to one C(23), one O(5), and one O(6) atom. The C(43)-O(5) bond length is 1.28 Å. The C(43)-O(6) bond length is 1.27 Å. In the forty-fourth C site, C(44) is bonded in a distorted bent 120 degrees geometry to one C(17), one O(7), and one O(8) atom. The C(44)-O(7) bond length is 1.28 Å. The C(44)-O(8) bond length is 1.28 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(2), one C(32), and one C(36) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(1), one C(39), and one C(40) atom. There are twenty-six 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(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(7) 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(13) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(15) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(16) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(18) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(19) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(21) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(22) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(24) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(25) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(27) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(28) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(30) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(31) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(32) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(33) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(35) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(36) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one C(38) atom. In the twenty-fourth H site, H(24) is bonded in a single-bond geometry to one C(39) atom. In the twenty-fifth H site, H(25) is bonded in a single-bond geometry to one C(40) atom. In the twenty-sixth H site, H(26) is bonded in a single-bond geometry to one C(41) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(42) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(42) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one C(43) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(43) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(44) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(44) atom. Linkers: 2 c1cc(-c2ccncc2)ccn1 ,2 [O]C(=O)c1ccc(-c2cc(-c3ccc(C([O])=O)cc3)c(-c3ccc(C([O])=O)cc3)cc2-c2ccc(C([O])=O)cc2)cc1. Metal clusters: 2 [C]1O[Zn]234O[C]O[Zn]2(O1)(O[C]O3)O[C]O4. RCSR code: sql. The MOF has largest included sphere 6.07 A, density 1.11 g/cm3, surface area 4541.01 m2/g, accessible volume 0.37 cm3/g