ZnC8N5H6O2CH3 crystallizes in the triclinic P-1 space group. The structure consists of four 02329_fluka molecules inside a ZnC8N5H6O2 framework. In each ZnC8N5H6O2 framework, there are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one N(1), one N(3), one N(8), and one O(4) atom. The Zn(1)-N(1) bond length is 2.05 Å. The Zn(1)-N(3) bond length is 2.00 Å. The Zn(1)-N(8) bond length is 1.99 Å. The Zn(1)-O(4) bond length is 1.97 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one N(2), one N(4), one N(7), and one O(3) atom. The Zn(2)-N(2) bond length is 2.05 Å. The Zn(2)-N(4) bond length is 2.00 Å. The Zn(2)-N(7) bond length is 1.99 Å. The Zn(2)-O(3) bond length is 1.97 Å. There are sixteen inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(11), one C(3), and one C(9) atom. The C(1)-C(11) bond length is 1.50 Å. The C(1)-C(3) bond length is 1.40 Å. The C(1)-C(9) bond length is 1.40 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(4) atom. The C(2)-C(10) bond length is 1.40 Å. The C(2)-C(12) bond length is 1.51 Å. The C(2)-C(4) bond length is 1.40 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(1), one C(5), and one H(1) atom. The C(3)-C(5) bond length is 1.39 Å. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one H(2) atom. The C(4)-C(6) bond length is 1.39 Å. The C(4)-H(2) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one H(3) atom. The C(5)-N(1) bond length is 1.35 Å. The C(5)-H(3) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(4), one N(2), and one H(4) atom. The C(6)-N(2) bond length is 1.35 Å. The C(6)-H(4) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(9), one N(1), and one H(5) atom. The C(7)-C(9) bond length is 1.39 Å. The C(7)-N(1) bond length is 1.35 Å. The C(7)-H(5) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(10), one N(2), and one H(6) atom. The C(8)-C(10) bond length is 1.39 Å. The C(8)-N(2) bond length is 1.35 Å. The C(8)-H(6) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(1), one C(7), and one H(7) atom. 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(2), one C(8), and one H(8) atom. The C(10)-H(8) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(3) atom. The C(11)-O(1) bond length is 1.25 Å. The C(11)-O(3) bond length is 1.30 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(2), and one O(4) atom. The C(12)-O(2) bond length is 1.25 Å. The C(12)-O(4) bond length is 1.30 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(15), one N(3), and one N(7) atom. The C(13)-C(15) bond length is 1.49 Å. The C(13)-N(3) bond length is 1.34 Å. The C(13)-N(7) bond length is 1.35 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(16), one N(4), and one N(8) atom. The C(14)-C(16) bond length is 1.49 Å. The C(14)-N(4) bond length is 1.34 Å. The C(14)-N(8) bond length is 1.34 Å. In the fifteenth C site, C(15) is bonded in a distorted water-like geometry to one C(13); one H(11,12); and one H(9) atom. The C(15)-H(11,12) bond length is 1.10 Å. The C(15)-H(9) bond length is 1.10 Å. In the sixteenth C site, C(16) is bonded in a distorted water-like geometry to one C(14); one H(10); and one H(11,12) atom. The C(16)-H(10) bond length is 1.10 Å. The C(16)-H(11,12) bond length is 1.10 Å. There are ten inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(5), and one C(7) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(2), one C(6), and one C(8) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Zn(1), one C(13), and one N(5) atom. The N(3)-N(5) bond length is 1.36 Å. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Zn(2), one C(14), and one N(6) atom. The N(4)-N(6) bond length is 1.36 Å. In the fifth N site, N(5) is bonded in a water-like geometry to one N(3) and one N(9) atom. The N(5)-N(9) bond length is 1.30 Å. In the sixth N site, N(6) is bonded in a water-like geometry to one N(10) and one N(4) atom. The N(6)-N(10) bond length is 1.30 Å. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Zn(2), one C(13), and one N(9) atom. The N(7)-N(9) bond length is 1.36 Å. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(14), and one N(10) atom. The N(8)-N(10) bond length is 1.36 Å. In the ninth N site, N(9) is bonded in a water-like geometry to one N(5) and one N(7) atom. In the tenth N site, N(10) is bonded in a water-like geometry to one N(6) and one N(8) atom. There are eleven 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(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(7) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(8) 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(15) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(16) atom. In the eleventh H site, H(11,12) is bonded in a single-bond geometry to one C(15) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(11) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(12) atom. In the third O site, O(3) is bonded in a water-like geometry to one Zn(2) and one C(11) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Zn(1) and one C(12) atom. Linkers: 4 [O]C(=O)c1ccncc1 ,4 CCC1=NN=N[N]1. Metal clusters: 4 O=[C]O[Zn]. The MOF has largest included sphere 4.07 A, density 1.52 g/cm3, surface area 4703.88 m2/g, accessible volume 0.21 cm3/g