Zn2C12H9(N3O2)2CH crystallizes in the trigonal R-3 space group. The structure consists of eighteen 02329_fluka molecules inside a Zn2C12H9(N3O2)2 framework. In the Zn2C12H9(N3O2)2 framework, there are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted octahedral geometry to one N(2), one N(4), one N(5), one O(1), one O(2), and one O(4) atom. The Zn(1)-N(2) bond length is 2.07 Å. The Zn(1)-N(4) bond length is 2.02 Å. The Zn(1)-N(5) bond length is 2.14 Å. The Zn(1)-O(1) bond length is 2.03 Å. The Zn(1)-O(2) bond length is 2.40 Å. The Zn(1)-O(4) bond length is 2.32 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one N(1), one N(3), one N(6), and one O(3) atom. The Zn(2)-N(1) bond length is 2.03 Å. The Zn(2)-N(3) bond length is 2.03 Å. The Zn(2)-N(6) bond length is 1.99 Å. The Zn(2)-O(3) bond length is 1.92 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(7) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-C(6) bond length is 1.40 Å. The C(1)-C(7) bond length is 1.51 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(8) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(8) bond length is 1.51 Å. In the third C site, C(3) is bonded in a distorted trigonal planar 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 0.93 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3) and one H(2) atom. The C(4)-H(2) bond length is 0.93 Å. In the fifth C site, C(6) is bonded in a distorted single-bond geometry to one C(1) and one H(4) atom. The C(6)-H(4) bond length is 0.93 Å. In the sixth C site, C(7) is bonded in a bent 120 degrees geometry to one C(1), one O(1), and one O(2) atom. The C(7)-O(1) bond length is 1.27 Å. The C(7)-O(2) bond length is 1.24 Å. In the seventh C site, C(8) is bonded in a water-like geometry to one C(2) and two equivalent H(5,6) atoms. Both C(8)-H(5,6) bond lengths are 0.97 Å. In the eighth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. The C(9)-O(3) bond length is 1.27 Å. The C(9)-O(4) bond length is 1.24 Å. In the ninth C site, C(10) is bonded in a trigonal planar geometry to one N(2), one N(3), and one H(7) atom. The C(10)-N(2) bond length is 1.31 Å. The C(10)-N(3) bond length is 1.35 Å. The C(10)-H(7) bond length is 0.93 Å. In the tenth C site, C(11) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(8) atom. The C(11)-N(1) bond length is 1.31 Å. The C(11)-N(3) bond length is 1.34 Å. The C(11)-H(8) bond length is 0.93 Å. In the eleventh C site, C(12) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(9) atom. The C(12)-N(5) bond length is 1.32 Å. The C(12)-N(6) bond length is 1.34 Å. The C(12)-H(9) bond length is 0.93 Å. In the twelfth C site, C(13) is bonded in a trigonal planar geometry to one N(4), one N(6), and one H(10) atom. The C(13)-N(4) bond length is 1.32 Å. The C(13)-N(6) bond length is 1.34 Å. The C(13)-H(10) bond length is 0.93 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Zn(2), one C(11), and one N(2) atom. The N(1)-N(2) bond length is 1.38 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(10), and one N(1) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Zn(2), one C(10), and one C(11) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(13), and one N(5) atom. The N(4)-N(5) bond length is 1.37 Å. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(12), and one N(4) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Zn(2), one C(12), and one C(13) atom. There are eight 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(4) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(5,6) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(11) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(12) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(13) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Zn(1) and one C(7) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Zn(1) and one C(7) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(9) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one C(9) atom. Linkers: 6 [O]C(=O)Cc1ccccc1C([O])=O ,1 [N]1=CN=NC=1 ,11 C1=NN=C[N]1. Metal clusters: 3 O=[C]O[Zn]12([N][N][Zn]3(O[C]=O)([N][N]1)N=N[Zn]O[C]O3)N=N[Zn]O[C]O2. RCSR code: nbo. The MOF has largest included sphere 6.22 A, density 1.69 g/cm3, surface area 3757.39 m2/g, accessible volume 0.22 cm3/g