ZnC5N7H9(CH)2 crystallizes in the trigonal R3m space group. The structure consists of thirty-six 02329_fluka molecules inside a ZnC5N7H9 framework. In the ZnC5N7H9 framework, Zn(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(4), and one N(6) atom. The Zn(1)-N(1) bond length is 1.97 Å. The Zn(1)-N(2) bond length is 2.00 Å. The Zn(1)-N(4) bond length is 2.02 Å. The Zn(1)-N(6) bond length is 2.02 Å. There are seven inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(5), one N(4), and one N(6) atom. The C(1)-C(5) bond length is 1.49 Å. The C(1)-N(4) bond length is 1.30 Å. The C(1)-N(6) bond length is 1.33 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one N(1) atom. The C(2)-N(1) bond length is 1.42 Å. In the third C site, C(5) is bonded in a trigonal non-coplanar geometry to one C(1), one H(3), one H(4), and one H(5) atom. The C(5)-H(3) bond length is 0.96 Å. The C(5)-H(4) bond length is 0.96 Å. The C(5)-H(5) bond length is 0.96 Å. In the fourth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(7) and two equivalent N(2) atoms. The C(6)-C(7) bond length is 1.54 Å. Both C(6)-N(2) bond lengths are 1.29 Å. In the fifth C site, C(7) is bonded in a 6-coordinate geometry to one C(6), two equivalent H(6), two equivalent H(7), and two equivalent H(8) atoms. Both C(7)-H(6) bond lengths are 0.96 Å. Both C(7)-H(7) bond lengths are 0.96 Å. Both C(7)-H(8) bond lengths are 0.96 Å. In the sixth C site, C(8) is bonded in a trigonal planar geometry to one C(9) and two equivalent N(1) atoms. The C(8)-C(9) bond length is 1.47 Å. Both C(8)-N(1) bond lengths are 1.36 Å. In the seventh C site, C(9) is bonded in a 6-coordinate geometry to one C(8), two equivalent H(10), two equivalent H(11), and two equivalent H(9) atoms. Both C(9)-H(10) bond lengths are 0.96 Å. Both C(9)-H(11) bond lengths are 0.96 Å. Both C(9)-H(9) bond lengths are 0.96 Å. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(2), and one C(8) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(6), and one N(7) atom. The N(2)-N(7) bond length is 1.30 Å. In the third N site, N(3) is bonded in a water-like geometry to one N(5) and one N(6) atom. The N(3)-N(5) bond length is 1.26 Å. The N(3)-N(6) bond length is 1.34 Å. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Zn(1), one C(1), and one N(5) atom. The N(4)-N(5) bond length is 1.35 Å. In the fifth N site, N(5) is bonded in a water-like geometry to one N(3) and one N(4) atom. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one Zn(1), one C(1), and one N(3) atom. In the seventh N site, N(7) is bonded in a distorted single-bond geometry to one N(2) atom. There are nine inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(7) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(9) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(9) atom. Linkers: 4 C.[C]1=N[C]2C=CC=CC2=N1.[H][H] ,5 C.[C]1=N[N]N=N1.[H].[H] ,18 CC1=NN=N[N]1 ,5 C.[C]1=N[C]2C=CC=CC2=N1.[H].[H] ,3 C.[C]1=N[N]N=N1.[H][H] ,1 C.[C]1=NN=N[N]1.[H][H]. Metal clusters: 18 [Zn]. The MOF has largest included sphere 10.39 A, density 1.07 g/cm3, surface area 4611.22 m2/g, accessible volume 0.58 cm3/g