Zn3C23N5H10O12 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted tetrahedral geometry to one N(2), one O(11), one O(8), and one O(9) atom. The Zn(1)-N(2) bond length is 2.00 Å. The Zn(1)-O(11) bond length is 1.95 Å. The Zn(1)-O(8) bond length is 1.99 Å. The Zn(1)-O(9) bond length is 1.95 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one N(1), one O(1), one O(12), and one O(5) atom. The Zn(2)-N(1) bond length is 1.97 Å. The Zn(2)-O(1) bond length is 1.94 Å. The Zn(2)-O(12) bond length is 1.98 Å. The Zn(2)-O(5) bond length is 1.94 Å. In the third Zn site, Zn(3) is bonded in a distorted trigonal non-coplanar geometry to one N(3), one O(2), and one O(4) atom. The Zn(3)-N(3) bond length is 2.02 Å. The Zn(3)-O(2) bond length is 1.96 Å. The Zn(3)-O(4) bond length is 1.90 Å. There are twenty-three inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one C(7), one O(1), and one O(7) atom. The C(1)-C(7) bond length is 1.48 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(7) bond length is 1.23 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(10), one C(7), and one H(1) atom. The C(2)-C(10) bond length is 1.40 Å. The C(2)-C(7) bond length is 1.40 Å. The C(2)-H(1) bond length is 0.93 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(13), one C(4), and one H(2) atom. The C(3)-C(13) bond length is 1.38 Å. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(2) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(3) atom. The C(4)-C(12) bond length is 1.39 Å. The C(4)-C(14) bond length is 1.50 Å. In the fifth C site, C(5) is bonded in a bent 120 degrees geometry to one C(10), one O(2), and one O(6) atom. The C(5)-C(10) bond length is 1.49 Å. The C(5)-O(2) bond length is 1.28 Å. The C(5)-O(6) bond length is 1.25 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(11), one C(7), and one H(3) atom. The C(6)-C(11) bond length is 1.39 Å. The C(6)-C(7) bond length is 1.38 Å. The C(6)-H(3) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(1), one C(2), and one C(6) atom. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(10), one C(11), and one H(4) atom. The C(8)-C(10) bond length is 1.40 Å. The C(8)-C(11) bond length is 1.41 Å. The C(8)-H(4) bond length is 0.93 Å. In the ninth C site, C(9) is bonded in a single-bond geometry to one C(13), one C(15), and one H(5) atom. The C(9)-C(13) bond length is 1.37 Å. The C(9)-C(15) bond length is 1.39 Å. The C(9)-H(5) bond length is 0.93 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(2), one C(5), and one C(8) atom. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(23), one C(6), and one C(8) atom. The C(11)-C(23) bond length is 1.50 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(15), one C(4), and one H(6) atom. The C(12)-C(15) bond length is 1.37 Å. The C(12)-H(6) bond length is 0.93 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(16), one C(3), and one C(9) atom. The C(13)-C(16) bond length is 1.51 Å. In the fourteenth C site, C(14) is bonded in a bent 120 degrees geometry to one C(4), one O(5), and one O(8) atom. The C(14)-O(5) bond length is 1.25 Å. The C(14)-O(8) bond length is 1.26 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(12), one C(17), and one C(9) atom. The C(15)-C(17) bond length is 1.53 Å. In the sixteenth C site, C(16) is bonded in a bent 120 degrees geometry to one C(13), one O(3), and one O(9) atom. The C(16)-O(3) bond length is 1.22 Å. The C(16)-O(9) bond length is 1.25 Å. In the seventeenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(15), one O(10), and one O(4) atom. The C(17)-O(10) bond length is 1.18 Å. The C(17)-O(4) bond length is 1.26 Å. In the eighteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(22) and one N(3) atom. The C(18)-C(22) bond length is 1.42 Å. The C(18)-N(3) bond length is 1.39 Å. In the nineteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one N(1) and one N(2) atom. The C(19)-N(1) bond length is 1.36 Å. The C(19)-N(2) bond length is 1.34 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one N(2), one N(5), and one H(9) atom. The C(20)-N(2) bond length is 1.35 Å. The C(20)-N(5) bond length is 1.32 Å. The C(20)-H(9) bond length is 0.93 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(10) atom. The C(21)-N(1) bond length is 1.36 Å. The C(21)-N(3) bond length is 1.33 Å. The C(21)-H(10) bond length is 0.93 Å. In the twenty-second C site, C(22) is bonded in a distorted trigonal planar geometry to one C(18), one N(4), and one N(5) atom. The C(22)-N(4) bond length is 1.31 Å. The C(22)-N(5) bond length is 1.35 Å. In the twenty-third C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(11), and one O(12) atom. The C(23)-O(11) bond length is 1.25 Å. The C(23)-O(12) bond length is 1.24 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Zn(2), one C(19), and one C(21) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(1), one C(19), and one C(20) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Zn(3), one C(18), and one C(21) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one C(22), one H(7), and one H(8) atom. The N(4)-H(7) bond length is 0.86 Å. The N(4)-H(8) bond length is 0.86 Å. In the fifth N site, N(5) is bonded in a bent 120 degrees geometry to one C(20) and one C(22) atom. There are ten 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(3) 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(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(12) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(4) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(20) atom. In the tenth H site, H(10) 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 water-like geometry to one Zn(2) and one C(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Zn(3) and one C(5) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(16) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Zn(3) and one C(17) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(14) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one C(5) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one C(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Zn(1) and one C(14) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Zn(1) and one C(16) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one C(17) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(23) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Zn(2) and one C(23) atom. Linkers: 1 NC1=NC=NC2=N[CH]N([Zn](OC(=O)c3cc([C]=O)cc(C([O])=O)c3)OC(=O)c3cc(C([O])=O)cc(C([O])=O)c3)[C]12 ,3 NC1=NC=NC2=N[CH]N([Zn](OC(=O)c3cc(C([O])=O)cc(C([O])=O)c3)OC(=O)c3cc(C([O])=O)cc(C([O])=O)c3)[C]12. Metal clusters: 4 O=[C]O[Zn]1O[C]O[Zn](O[C]=O)O[C]O1. RCSR code: pts. The MOF has largest included sphere 9.93 A, density 0.80 g/cm3, surface area 3831.52 m2/g, accessible volume 0.90 cm3/g