Zn2C16N3H10O8 crystallizes in the monoclinic P2_1 space group. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one N(6), one N(9), one O(11), and one O(6) atom. The Zn(1)-N(6) bond length is 2.03 Å. The Zn(1)-N(9) bond length is 2.02 Å. The Zn(1)-O(11) bond length is 1.99 Å. The Zn(1)-O(6) bond length is 1.99 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one N(4), one O(2), one O(4), and one O(8) atom. The Zn(2)-N(4) bond length is 2.01 Å. The Zn(2)-O(2) bond length is 1.98 Å. The Zn(2)-O(4) bond length is 1.98 Å. The Zn(2)-O(8) bond length is 1.96 Å. In the third Zn site, Zn(3) is bonded in a tetrahedral geometry to one N(5), one O(10), one O(16), and one O(3) atom. The Zn(3)-N(5) bond length is 2.01 Å. The Zn(3)-O(10) bond length is 1.98 Å. The Zn(3)-O(16) bond length is 2.00 Å. The Zn(3)-O(3) bond length is 1.96 Å. In the fourth Zn site, Zn(4) is bonded in a 4-coordinate geometry to one N(1), one O(1), one O(13), one O(15), and one O(19) atom. The Zn(4)-N(1) bond length is 2.02 Å. The Zn(4)-O(1) bond length is 1.98 Å. The Zn(4)-O(13) bond length is 2.01 Å. The Zn(4)-O(15) bond length is 2.48 Å. The Zn(4)-O(19) bond length is 1.99 Å. In the fifth Zn site, Zn(5) is bonded in a distorted tetrahedral geometry to one N(2), one N(7), one O(17), and one O(24) atom. The Zn(5)-N(2) bond length is 2.01 Å. The Zn(5)-N(7) bond length is 2.05 Å. The Zn(5)-O(17) bond length is 1.99 Å. The Zn(5)-O(24) bond length is 1.98 Å. In the sixth Zn site, Zn(6) is bonded in a tetrahedral geometry to one N(3), one N(8), one O(21), and one O(23) atom. The Zn(6)-N(3) bond length is 2.00 Å. The Zn(6)-N(8) bond length is 2.02 Å. The Zn(6)-O(21) bond length is 1.95 Å. The Zn(6)-O(23) bond length is 1.98 Å. There are forty-eight inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one C(2), one O(1), and one O(15) atom. The C(1)-C(2) bond length is 1.48 Å. The C(1)-O(1) bond length is 1.30 Å. The C(1)-O(15) bond length is 1.26 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(39) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(39) 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 1.40 Å. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(38), and one C(5) atom. The C(4)-C(38) bond length is 1.48 Å. The C(4)-C(5) bond length is 1.40 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(2) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-H(2) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(39), one C(5), and one C(7) atom. The C(6)-C(39) bond length is 1.40 Å. The C(6)-C(7) bond length is 1.50 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(16), and one O(2) atom. The C(7)-O(16) bond length is 1.27 Å. The C(7)-O(2) bond length is 1.28 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(15), one N(1), and one N(3) atom. The C(8)-C(15) bond length is 1.48 Å. The C(8)-N(1) bond length is 1.36 Å. The C(8)-N(3) bond length is 1.34 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(14), one N(1), and one N(2) atom. The C(9)-C(14) bond length is 1.48 Å. The C(9)-N(1) bond length is 1.36 Å. The C(9)-N(2) bond length is 1.34 Å. In the tenth C site, C(10) is bonded in a distorted trigonal non-coplanar geometry to one C(11), one H(3), one H(4), and one H(5) atom. The C(10)-C(11) bond length is 1.49 Å. The C(10)-H(3) bond length is 1.10 Å. The C(10)-H(4) bond length is 1.10 Å. The C(10)-H(5) bond length is 1.10 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(10), one N(5), and one N(6) atom. The C(11)-N(5) bond length is 1.33 Å. The C(11)-N(6) bond length is 1.36 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(13), one N(4), and one N(6) atom. The C(12)-C(13) bond length is 1.48 Å. The C(12)-N(4) bond length is 1.34 Å. The C(12)-N(6) bond length is 1.36 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal non-coplanar geometry to one C(12), one H(6), one H(7), and one H(8) atom. The C(13)-H(6) bond length is 1.10 Å. The C(13)-H(7) bond length is 1.10 Å. The C(13)-H(8) bond length is 1.10 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal non-coplanar geometry to one C(9), one H(10), one H(11), and one H(9) atom. The C(14)-H(10) bond length is 1.09 Å. The C(14)-H(11) bond length is 1.10 Å. The C(14)-H(9) bond length is 1.10 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal non-coplanar geometry to one C(8), one H(12), one H(13), and one H(14) atom. The C(15)-H(12) bond length is 1.10 Å. The C(15)-H(13) bond length is 1.10 Å. The C(15)-H(14) bond length is 1.10 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal non-coplanar geometry to one C(17), one H(15), one H(16), and one H(17) atom. The C(16)-C(17) bond length is 1.48 Å. The C(16)-H(15) bond length is 1.10 Å. The C(16)-H(16) bond length is 1.10 Å. The C(16)-H(17) bond length is 1.09 Å. In the seventeenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(16), one N(7), and one N(9) atom. The C(17)-N(7) bond length is 1.33 Å. The C(17)-N(9) bond length is 1.36 Å. In the eighteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(19), one N(8), and one N(9) atom. The C(18)-C(19) bond length is 1.49 Å. The C(18)-N(8) bond length is 1.33 Å. The C(18)-N(9) bond length is 1.36 Å. In the nineteenth C site, C(19) is bonded in a distorted trigonal non-coplanar geometry to one C(18), one H(18), one H(19), and one H(20) atom. The C(19)-H(18) bond length is 1.10 Å. The C(19)-H(19) bond length is 1.10 Å. The C(19)-H(20) bond length is 1.10 Å. In the twentieth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(21), one O(3), and one O(4) atom. The C(20)-C(21) bond length is 1.50 Å. The C(20)-O(3) bond length is 1.27 Å. The C(20)-O(4) bond length is 1.27 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one C(20), one C(22), and one C(28) atom. The C(21)-C(22) bond length is 1.40 Å. The C(21)-C(28) bond length is 1.40 Å. In the twenty-second C site, C(22) is bonded in a distorted single-bond geometry to one C(21), one C(23), and one H(21) atom. The C(22)-C(23) bond length is 1.40 Å. The C(22)-H(21) 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(25) atom. The C(23)-C(24) bond length is 1.50 Å. The C(23)-C(25) bond length is 1.40 Å. In the twenty-fourth C site, C(24) is bonded in a bent 120 degrees geometry to one C(23), one O(5), and one O(6) atom. The C(24)-O(5) bond length is 1.25 Å. The C(24)-O(6) bond length is 1.30 Å. In the twenty-fifth C site, C(25) is bonded in a distorted single-bond geometry to one C(23), one C(26), and one H(22) atom. The C(25)-C(26) bond length is 1.40 Å. The C(25)-H(22) bond length is 1.09 Å. In the twenty-sixth C site, C(26) is bonded in a trigonal planar geometry to one C(25), one C(27), and one C(28) atom. The C(26)-C(27) bond length is 1.50 Å. The C(26)-C(28) bond length is 1.41 Å. In the twenty-seventh C site, C(27) is bonded in a distorted bent 120 degrees geometry to one C(26), one O(7), and one O(8) atom. The C(27)-O(7) bond length is 1.25 Å. The C(27)-O(8) bond length is 1.29 Å. In the twenty-eighth C site, C(28) is bonded in a distorted single-bond geometry to one C(21), one C(26), and one H(23) atom. The C(28)-H(23) bond length is 1.09 Å. In the twenty-ninth C site, C(29) is bonded in a bent 120 degrees geometry to one C(30), one O(10), and one O(9) atom. The C(29)-C(30) bond length is 1.50 Å. The C(29)-O(10) bond length is 1.30 Å. The C(29)-O(9) bond length is 1.25 Å. In the thirtieth C site, C(30) is bonded in a trigonal planar geometry to one C(29), one C(31), and one C(36) atom. The C(30)-C(31) bond length is 1.40 Å. The C(30)-C(36) bond length is 1.40 Å. In the thirty-first C site, C(31) is bonded in a distorted single-bond geometry to one C(30), one C(32), and one H(24) atom. The C(31)-C(32) bond length is 1.41 Å. The C(31)-H(24) bond length is 1.09 Å. In the thirty-second C site, C(32) is bonded in a trigonal planar geometry to one C(31), one C(33), and one C(34) atom. The C(32)-C(33) bond length is 1.50 Å. The C(32)-C(34) bond length is 1.40 Å. In the thirty-third C site, C(33) is bonded in a distorted bent 120 degrees geometry to one C(32), one O(11), and one O(12) atom. The C(33)-O(11) bond length is 1.30 Å. The C(33)-O(12) bond length is 1.25 Å. In the thirty-fourth C site, C(34) is bonded in a distorted trigonal planar geometry to one C(32), one C(35), and one H(25) atom. The C(34)-C(35) bond length is 1.40 Å. The C(34)-H(25) bond length is 1.09 Å. In the thirty-fifth C site, C(35) is bonded in a trigonal planar geometry to one C(34), one C(36), and one C(37) atom. The C(35)-C(36) bond length is 1.40 Å. The C(35)-C(37) bond length is 1.49 Å. In the thirty-sixth C site, C(36) is bonded in a distorted single-bond geometry to one C(30), one C(35), and one H(26) atom. The C(36)-H(26) bond length is 1.09 Å. In the thirty-seventh C site, C(37) is bonded in a distorted bent 120 degrees geometry to one C(35), one O(13), and one O(14) atom. The C(37)-O(13) bond length is 1.29 Å. The C(37)-O(14) bond length is 1.25 Å. In the thirty-eighth C site, C(38) is bonded in a bent 120 degrees geometry to one C(4), one O(17), and one O(18) atom. The C(38)-O(17) bond length is 1.30 Å. The C(38)-O(18) bond length is 1.26 Å. In the thirty-ninth C site, C(39) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one H(27) atom. The C(39)-H(27) bond length is 1.09 Å. In the fortieth C site, C(40) is bonded in a bent 120 degrees geometry to one C(41), one O(19), and one O(20) atom. The C(40)-C(41) bond length is 1.49 Å. The C(40)-O(19) bond length is 1.30 Å. The C(40)-O(20) bond length is 1.26 Å. In the forty-first C site, C(41) is bonded in a trigonal planar geometry to one C(40), one C(42), and one C(48) atom. The C(41)-C(42) bond length is 1.41 Å. The C(41)-C(48) bond length is 1.40 Å. In the forty-second C site, C(42) is bonded in a distorted trigonal planar geometry to one C(41), one C(43), and one H(28) atom. The C(42)-C(43) bond length is 1.40 Å. The C(42)-H(28) bond length is 1.09 Å. In the forty-third C site, C(43) is bonded in a trigonal planar geometry to one C(42), one C(44), and one C(45) atom. The C(43)-C(44) bond length is 1.50 Å. The C(43)-C(45) bond length is 1.40 Å. In the forty-fourth C site, C(44) is bonded in a distorted bent 120 degrees geometry to one C(43), one O(23), and one O(24) atom. The C(44)-O(23) bond length is 1.27 Å. The C(44)-O(24) bond length is 1.27 Å. In the forty-fifth C site, C(45) is bonded in a distorted single-bond geometry to one C(43), one C(46), and one H(29) atom. The C(45)-C(46) bond length is 1.40 Å. The C(45)-H(29) bond length is 1.09 Å. In the forty-sixth C site, C(46) is bonded in a trigonal planar geometry to one C(45), one C(47), and one C(48) atom. The C(46)-C(47) bond length is 1.49 Å. The C(46)-C(48) bond length is 1.40 Å. In the forty-seventh C site, C(47) is bonded in a bent 120 degrees geometry to one C(46), one O(21), and one O(22) atom. The C(47)-O(21) bond length is 1.30 Å. The C(47)-O(22) bond length is 1.25 Å. In the forty-eighth C site, C(48) is bonded in a distorted single-bond geometry to one C(41), one C(46), and one H(30) atom. The C(48)-H(30) bond length is 1.09 Å. There are nine inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(4), one C(8), and one C(9) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to one Zn(5) and one C(9) atom. In the third N site, N(3) is bonded in a 2-coordinate geometry to one Zn(6) and one C(8) atom. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Zn(2), one C(12), and one N(5) atom. The N(4)-N(5) bond length is 1.38 Å. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Zn(3), one C(11), and one N(4) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Zn(1), one C(11), and one C(12) atom. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Zn(5), one C(17), and one N(8) atom. The N(7)-N(8) bond length is 1.38 Å. In the eighth N site, N(8) is bonded in a 3-coordinate geometry to one Zn(6), one C(18), and one N(7) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Zn(1), one C(17), and one C(18) atom. There are thirty 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(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(10) 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(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(13) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(13) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(14) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(14) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(14) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(15) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(15) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(15) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(16) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(16) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(16) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(19) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(19) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(19) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(22) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(25) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one C(28) atom. In the twenty-fourth H site, H(24) is bonded in a single-bond geometry to one C(31) atom. In the twenty-fifth H site, H(25) is bonded in a single-bond geometry to one C(34) atom. In the twenty-sixth H site, H(26) is bonded in a single-bond geometry to one C(36) atom. In the twenty-seventh H site, H(27) is bonded in a single-bond geometry to one C(39) atom. In the twenty-eighth H site, H(28) is bonded in a single-bond geometry to one C(42) atom. In the twenty-ninth H site, H(29) is bonded in a single-bond geometry to one C(45) atom. In the thirtieth H site, H(30) is bonded in a single-bond geometry to one C(48) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Zn(4) and one C(1) 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 distorted bent 120 degrees geometry to one Zn(3) and one C(20) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(20) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(24) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Zn(1) and one C(24) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one C(27) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(27) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one C(29) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Zn(3) and one C(29) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(33) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one C(33) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Zn(4) and one C(37) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one C(37) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Zn(4) and one C(1) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(7) atom. In the seventeenth O site, O(17) is bonded in a water-like geometry to one Zn(5) and one C(38) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one C(38) atom. In the nineteenth O site, O(19) is bonded in a water-like geometry to one Zn(4) and one C(40) atom. In the twentieth O site, O(20) is bonded in a single-bond geometry to one C(40) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one Zn(6) and one C(47) atom. In the twenty-second O site, O(22) is bonded in a single-bond geometry to one C(47) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 120 degrees geometry to one Zn(6) and one C(44) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one Zn(5) and one C(44) atom. Linkers: 1 CC1=NC(C)=N[N]1 ,3 [O]C(=O)c1cc(C([O])=O)cc(C([O])=O)c1 ,1 Cc1nnc(C)n1[Zn](OC(=O)c1cc([C][O])cc(C([O])=O)c1)(OC(=O)c1cc(C([O])=O)cc(C([O])=O)c1)n1c(C)nnc1C ,1 Cc1nnc(C)n1[Zn](OC(=O)c1cc(C([O])=O)cc(C([O])=O)c1)(OC(=O)c1cc(C([O])=O)cc(C([O])=O)c1)n1c(C)nnc1C ,1 CC1=[N]=C(N=N1)C ,1 [O][C]c1cc(C([O])=O)cc(C([O])=O)c1. Metal clusters: 2 O=[C]O[Zn@]12N=N[Zn@](O[C]=O)(O[C]O1)O[C]O2 ,2 O=[C]O[Zn](O[C]=O)O[C]=O ,2 O=[C]O[Zn@]12N=N[Zn@](O[C]=O)(N=N1)O[C]O2. The MOF has largest included sphere 7.99 A, density 0.99 g/cm3, surface area 4225.10 m2/g, accessible volume 0.66 cm3/g