Zn2C6N6H6O5(CH2)3 crystallizes in the triclinic P-1 space group. The structure consists of twelve 02329_fluka molecules inside a Zn2C6N6H6O5 framework. In the Zn2C6N6H6O5 framework, there are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one N(12), one N(3), one O(2), and one O(4) atom. The Zn(1)-N(12) bond length is 2.00 Å. The Zn(1)-N(3) bond length is 2.00 Å. The Zn(1)-O(2) bond length is 1.98 Å. The Zn(1)-O(4) bond length is 2.01 Å. In the second Zn site, Zn(2) is bonded in an octahedral geometry to one N(11), one N(2), one N(6), one N(8), one O(10), and one O(9) atom. The Zn(2)-N(11) bond length is 2.15 Å. The Zn(2)-N(2) bond length is 2.15 Å. The Zn(2)-N(6) bond length is 2.12 Å. The Zn(2)-N(8) bond length is 2.16 Å. The Zn(2)-O(10) bond length is 2.20 Å. The Zn(2)-O(9) bond length is 2.18 Å. In the third Zn site, Zn(3) is bonded in a trigonal bipyramidal geometry to one N(1), one N(10), one N(5), one N(7), and one O(7) atom. The Zn(3)-N(1) bond length is 2.17 Å. The Zn(3)-N(10) bond length is 2.01 Å. The Zn(3)-N(5) bond length is 2.00 Å. The Zn(3)-N(7) bond length is 2.02 Å. The Zn(3)-O(7) bond length is 2.39 Å. In the fourth Zn site, Zn(4) is bonded in a 6-coordinate geometry to one N(4), one N(9), one O(5), one O(6), one O(7), and one O(8) atom. The Zn(4)-N(4) bond length is 2.10 Å. The Zn(4)-N(9) bond length is 2.01 Å. The Zn(4)-O(5) bond length is 2.01 Å. The Zn(4)-O(6) bond length is 2.55 Å. The Zn(4)-O(7) bond length is 2.07 Å. The Zn(4)-O(8) bond length is 2.40 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(5) atom. The C(1)-N(1) bond length is 1.33 Å. The C(1)-N(3) bond length is 1.35 Å. The C(1)-H(5) bond length is 1.08 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(2), one N(3), and one H(6) atom. The C(2)-N(2) bond length is 1.33 Å. The C(2)-N(3) bond length is 1.36 Å. The C(2)-H(6) bond length is 1.08 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(4), one N(6), and one H(7) atom. The C(3)-N(4) bond length is 1.33 Å. The C(3)-N(6) bond length is 1.35 Å. The C(3)-H(7) bond length is 1.08 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(8) atom. The C(4)-N(5) bond length is 1.34 Å. The C(4)-N(6) bond length is 1.35 Å. The C(4)-H(8) bond length is 1.08 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one N(8), one N(9), and one H(9) atom. The C(5)-N(8) bond length is 1.33 Å. The C(5)-N(9) bond length is 1.36 Å. The C(5)-H(9) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one N(7), one N(9), and one H(10) atom. The C(6)-N(7) bond length is 1.33 Å. The C(6)-N(9) bond length is 1.35 Å. The C(6)-H(10) bond length is 1.08 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one N(10), one N(12), and one H(11) atom. The C(7)-N(10) bond length is 1.33 Å. The C(7)-N(12) bond length is 1.35 Å. The C(7)-H(11) bond length is 1.08 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one N(11), one N(12), and one H(12) atom. The C(8)-N(11) bond length is 1.33 Å. The C(8)-N(12) bond length is 1.36 Å. The C(8)-H(12) bond length is 1.08 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(9)-O(1) bond length is 1.27 Å. The C(9)-O(2) bond length is 1.28 Å. In the tenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. The C(13)-O(3) bond length is 1.25 Å. The C(13)-O(4) bond length is 1.31 Å. In the eleventh C site, C(14) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(6) atom. The C(14)-O(5) bond length is 1.31 Å. The C(14)-O(6) bond length is 1.25 Å. In the twelfth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one O(7) and one O(8) atom. The C(18)-O(7) bond length is 1.31 Å. The C(18)-O(8) bond length is 1.25 Å. There are twelve inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Zn(3), one C(1), 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(2), one C(2), and one N(1) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Zn(1), one C(1), and one C(2) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Zn(4), one C(3), and one N(5) atom. The N(4)-N(5) bond length is 1.38 Å. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Zn(3), one C(4), 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(3), and one C(4) atom. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Zn(3), one C(6), and one N(8) atom. The N(7)-N(8) bond length is 1.37 Å. In the eighth N site, N(8) is bonded in a 3-coordinate geometry to one Zn(2), one C(5), and one N(7) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Zn(4), one C(5), and one C(6) atom. In the tenth N site, N(10) is bonded in a 3-coordinate geometry to one Zn(3), one C(7), and one N(11) atom. The N(10)-N(11) bond length is 1.37 Å. In the eleventh N site, N(11) is bonded in a distorted trigonal planar geometry to one Zn(2), one C(8), and one N(10) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one Zn(1), one C(7), and one C(8) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) and one O(9) atom. The H(1)-O(4) bond length is 1.73 Å. The H(1)-O(9) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(9) atom. The H(2)-O(9) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(10) atom. The H(3)-O(10) bond length is 0.98 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(10) and one O(5) atom. The H(4)-O(10) bond length is 1.00 Å. The H(4)-O(5) bond length is 1.70 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(3) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(4) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(5) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(6) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(7) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(8) atom. There are ten inequivalent O sites. In the first O site, O(7) is bonded in a 3-coordinate geometry to one Zn(3), one Zn(4), and one C(18) atom. In the second O site, O(8) is bonded in a distorted single-bond geometry to one Zn(4) and one C(18) atom. In the third O site, O(9) is bonded in a distorted water-like geometry to one Zn(2), one H(1), and one H(2) atom. In the fourth O site, O(10) is bonded in a distorted water-like geometry to one Zn(2), one H(3), and one H(4) atom. In the fifth O site, O(1) is bonded in a single-bond geometry to one C(9) atom. In the sixth O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(9) atom. In the seventh O site, O(3) is bonded in a single-bond geometry to one C(13) atom. In the eighth O site, O(4) is bonded in a 3-coordinate geometry to one Zn(1), one C(13), and one H(1) atom. In the ninth O site, O(5) is bonded in a 3-coordinate geometry to one Zn(4), one C(14), and one H(4) atom. In the tenth O site, O(6) is bonded in a single-bond geometry to one Zn(4) and one C(14) atom. Linkers: 5 C1=NN=C[N]1 ,2 [N]1=CN=NC=1 ,4 [O]C(=O)CCCC([O])=O ,1 C1=NC=N[N]1. Metal clusters: 2 O=[C]O[Zn]O[C]=O ,2 O.O.O=[C]O[Zn]([N][N][Zn]12N=N[Zn](N=N1)N=N2)O[C]=O. The MOF has largest included sphere 3.21 A, density 1.83 g/cm3, surface area 3686.58 m2/g, accessible volume 0.16 cm3/g