Zn3C18P2H20(N2O5)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(4), one O(6), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(1)CO3 tetrahedra and  a cornercorner with one P(2)CO3 tetrahedra. The Zn(1)-O(1) bond length is 1.96 Å. The Zn(1)-O(4) bond length is 2.06 Å. The Zn(1)-O(6) bond length is 1.94 Å. The Zn(1)-O(9) bond length is 2.00 Å. In the second Zn site, Zn(2) is bonded to one N(1), one N(2), one O(2), one O(3), and one O(5) atom to form distorted ZnN2O3 trigonal bipyramids that share  a cornercorner with one C(9)PH2N tetrahedra and corners with two equivalent P(1)CO3 tetrahedra. The Zn(2)-N(1) bond length is 2.11 Å. The Zn(2)-N(2) bond length is 2.29 Å. The Zn(2)-O(2) bond length is 1.97 Å. The Zn(2)-O(3) bond length is 2.00 Å. The Zn(2)-O(5) bond length is 2.05 Å. In the third Zn site, Zn(3) is bonded to one N(3), one N(4), one O(10), one O(7), and one O(8) atom to form distorted ZnN2O3 trigonal bipyramids that share  a cornercorner with one C(18)PH2N tetrahedra and corners with two equivalent P(2)CO3 tetrahedra. The Zn(3)-N(3) bond length is 2.11 Å. The Zn(3)-N(4) bond length is 2.28 Å. The Zn(3)-O(10) bond length is 2.08 Å. The Zn(3)-O(7) bond length is 1.96 Å. The Zn(3)-O(8) bond length is 2.01 Å. There are eighteen inequivalent C sites. In the first C site, C(8) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(5) atom. The C(8)-O(4) bond length is 1.27 Å. The C(8)-O(5) bond length is 1.27 Å. In the second C site, C(9) is bonded to one P(1), one N(2), one H(10), and one H(9) atom to form distorted CPH2N tetrahedra that share  a cornercorner with one Zn(2)N2O3 trigonal bipyramid. The C(9)-P(1) bond length is 1.84 Å. The C(9)-N(2) bond length is 1.47 Å. The C(9)-H(10) bond length is 1.10 Å. The C(9)-H(9) bond length is 1.10 Å. In the third C site, C(10) is bonded in a distorted trigonal planar geometry to one N(3) and one H(11) atom. The C(10)-N(3) bond length is 1.35 Å. The C(10)-H(11) bond length is 1.09 Å. In the fourth C site, C(11) is bonded in a distorted single-bond geometry to one C(12) and one H(12) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-H(12) bond length is 1.09 Å. In the fifth 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 1.51 Å. In the sixth C site, C(13) is bonded in a distorted single-bond geometry to one C(12), one C(14), and one H(13) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-H(13) bond length is 1.09 Å. In the seventh C site, C(14) is bonded in a distorted trigonal planar geometry to one C(13), one N(3), and one H(14) atom. The C(14)-N(3) bond length is 1.35 Å. The C(14)-H(14) bond length is 1.09 Å. In the eighth C site, C(15) is bonded in a distorted trigonal non-coplanar geometry to one C(12), one N(4), one H(15), and one H(16) atom. The C(15)-N(4) bond length is 1.48 Å. The C(15)-H(15) bond length is 1.10 Å. The C(15)-H(16) bond length is 1.10 Å. In the ninth C site, C(16) is bonded in a distorted trigonal non-coplanar geometry to one N(4), one H(17), and one H(18) atom. The C(16)-N(4) bond length is 1.46 Å. The C(16)-H(17) bond length is 1.10 Å. The C(16)-H(18) bond length is 1.10 Å. In the tenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(9) atom. The C(17)-O(10) bond length is 1.27 Å. The C(17)-O(9) bond length is 1.27 Å. In the eleventh C site, C(18) is bonded to one P(2), one N(4), one H(19), and one H(20) atom to form distorted CPH2N tetrahedra that share  a cornercorner with one Zn(3)N2O3 trigonal bipyramid. The C(18)-P(2) bond length is 1.85 Å. The C(18)-N(4) bond length is 1.48 Å. The C(18)-H(19) bond length is 1.10 Å. The C(18)-H(20) bond length is 1.10 Å. In the twelfth C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1) atom. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.09 Å. In the thirteenth C site, C(2) is bonded in a distorted single-bond geometry to one C(3) and one H(2) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-H(2) bond length is 1.09 Å. In the fourteenth C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(6) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(6) bond length is 1.50 Å. In the fifteenth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(3) bond length is 1.09 Å. In the sixteenth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one H(4) atom. The C(5)-N(1) bond length is 1.35 Å. The C(5)-H(4) bond length is 1.09 Å. In the seventeenth C site, C(6) is bonded in a distorted trigonal non-coplanar geometry to one C(3), one N(2), one H(5), and one H(6) atom. The C(6)-N(2) bond length is 1.48 Å. The C(6)-H(5) bond length is 1.10 Å. The C(6)-H(6) bond length is 1.10 Å. In the eighteenth C site, C(7) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(7), and one H(8) atom. The C(7)-N(2) bond length is 1.47 Å. The C(7)-H(7) bond length is 1.10 Å. The C(7)-H(8) bond length is 1.10 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one C(9), one O(1), one O(2), and one O(3) atom to form PCO3 tetrahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one N(2)ZnC3 tetrahedra, and corners with two equivalent Zn(2)N2O3 trigonal bipyramids. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(2) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.55 Å. In the second P site, P(2) is bonded to one C(18), one O(6), one O(7), and one O(8) atom to form distorted PCO3 tetrahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one N(4)ZnC3 tetrahedra, and corners with two equivalent Zn(3)N2O3 trigonal bipyramids. The P(2)-O(6) bond length is 1.53 Å. The P(2)-O(7) bond length is 1.54 Å. The P(2)-O(8) bond length is 1.54 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(2), one C(1), and one C(5) atom. In the second N site, N(2) is bonded to one Zn(2), one C(6), one C(7), and one C(9) atom to form distorted NZnC3 tetrahedra that share  a cornercorner with one P(1)CO3 tetrahedra. In the third N site, N(3) is bonded in a trigonal planar geometry to one Zn(3), one C(10), and one C(14) atom. In the fourth N site, N(4) is bonded to one Zn(3), one C(15), one C(16), and one C(18) atom to form distorted NZnC3 tetrahedra that share  a cornercorner with one P(2)CO3 tetrahedra. There are twenty inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(7) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(7) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(9) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(10) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(11) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(13) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(14) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(15) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(15) 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(16) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(18) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(18) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Zn(1) and one C(8) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(8) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Zn(3) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Zn(3) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(17) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(17) atom. Linkers: 8 [O]C(=O)CN(Cc1ccncc1)CP([O])([O])=O. Metal clusters: 12 [Zn]. The MOF has largest included sphere 3.89 A, density 1.84 g/cm3, surface area 3442.92 m2/g, accessible volume 0.19 cm3/g