ZnC12H9(N2O)3CH2 crystallizes in the monoclinic P2_1/c space group. The structure consists of four 02329_fluka molecules inside a ZnC12H9(N2O)3 framework. In the ZnC12H9(N2O)3 framework, Zn(1) is bonded in a distorted trigonal bipyramidal geometry to one N(1), one N(3), one N(5), one O(2), and one O(3) atom. The Zn(1)-N(1) bond length is 2.11 Å. The Zn(1)-N(3) bond length is 2.01 Å. The Zn(1)-N(5) bond length is 2.35 Å. The Zn(1)-O(2) bond length is 2.01 Å. The Zn(1)-O(3) bond length is 2.06 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(3) atom. The C(1)-C(2) bond length is 1.38 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(3) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one H(4) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-H(4) bond length is 1.09 Å. In the third 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 1.46 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(5) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(5) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one H(6) atom. The C(5)-N(1) bond length is 1.35 Å. The C(5)-H(6) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(3), one N(2), and one N(4) atom. The C(6)-N(2) bond length is 1.37 Å. The C(6)-N(4) bond length is 1.35 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(8), one N(2), and one N(3) atom. The C(7)-C(8) bond length is 1.46 Å. The C(7)-N(2) bond length is 1.35 Å. The C(7)-N(3) bond length is 1.35 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(7), one C(9), and one N(5) atom. The C(8)-C(9) bond length is 1.40 Å. The C(8)-N(5) bond length is 1.35 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(6), and one H(7) atom. The C(9)-N(6) bond length is 1.34 Å. The C(9)-H(7) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one N(6), and one H(8) atom. The C(10)-C(11) bond length is 1.40 Å. The C(10)-N(6) bond length is 1.34 Å. The C(10)-H(8) bond length is 1.09 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 H(9) atom. The C(11)-N(5) bond length is 1.33 Å. The C(11)-H(9) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(12)-O(1) bond length is 1.26 Å. The C(12)-O(2) bond length is 1.29 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(1), and one C(5) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one C(6), one C(7), and one H(1) atom. The N(2)-H(1) bond length is 1.71 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(7), and one N(4) atom. The N(3)-N(4) bond length is 1.34 Å. In the fourth N site, N(4) is bonded in a distorted water-like geometry to one C(6) and one N(3) atom. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(11), and one C(8) atom. In the sixth N site, N(6) is bonded in a bent 120 degrees geometry to one C(10) and one C(9) atom. There are nine inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(2) and one O(3) atom. The H(1)-O(3) bond length is 1.01 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(3) atom. The H(2)-O(1) bond length is 1.63 Å. The H(2)-O(3) bond length is 1.01 Å. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(4) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(5) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(11) atom. There are three inequivalent O sites. In the first O site, O(2) is bonded in a water-like geometry to one Zn(1) and one C(12) atom. In the second O site, O(3) is bonded in a distorted water-like geometry to one Zn(1), one H(1), and one H(2) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one C(12) and one H(2) atom. Linkers: 1 O.[N][Zn@]1(OC(=O)CCC(=O)O[Zn@]2(N3[CH]C=C(C4=NN=C(c5cnccn5)[N]4)C=C3)N3C=CN=CC3=C3N=C(c4ccncc4)[N]N32)N2C=CN=CC2=C2N=C(c3ccncc3)[N]N21 ,1 O=C(O[Zn@]1(N2[CH]C=C(C=C2)C2=NN=C([N]2)c2cnccn2)N2C=CN=CC2=C2N1[N]C(=N2)c1ccncc1)CCC(=O)O[Zn@@]1(N2[CH]C=C(C=C2)C2=[N]=C(N=N2)c2cnccn2)N2C=CN=CC2=C2N1[N]C(=N2)c1ccncc1.O.O ,1 [O]C(=O)CCC([O])=O ,1 O=C(O[Zn@]1(N2[CH]C=C(C=C2)C2=[N]=C(N=N2)c2nccnc2)N2[N]C(=NC2=C2N1C=CN=C2)c1ccncc1)CCC(=O)O[Zn@@]1([N])N2[N]C(=NC2=C2N1C=CN=C2)c1ccncc1.O. Metal clusters: 2 O.O=[C]O[Zn]. The MOF has largest included sphere 2.39 A, density 1.72 g/cm3, surface area 4135.82 m2/g, accessible volume 0.17 cm3/g