CdC13N5H10O3CH3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure consists of four 02329_fluka molecules inside a CdC13N5H10O3 framework. In the CdC13N5H10O3 framework, Cd(1) is bonded in a pentagonal bipyramidal geometry to one N(1), one N(2), one N(3), one N(4), one O(1), one O(2), and one O(3) atom. The Cd(1)-N(1) bond length is 2.36 Å. The Cd(1)-N(2) bond length is 2.47 Å. The Cd(1)-N(3) bond length is 2.43 Å. The Cd(1)-N(4) bond length is 2.40 Å. The Cd(1)-O(1) bond length is 2.39 Å. The Cd(1)-O(2) bond length is 2.33 Å. The Cd(1)-O(3) bond length is 2.56 Å. There are thirteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(1), and one H(10) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(10) bond length is 1.09 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(10), and one C(9) atom. The C(2)-C(10) bond length is 1.40 Å. The C(2)-C(9) bond length is 1.49 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(2), and one H(1) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-N(2) bond length is 1.33 Å. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one N(3), and one H(2) atom. The C(4)-N(3) bond length is 1.34 Å. The C(4)-H(2) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(3) atom. The C(5)-N(3) bond length is 1.34 Å. The C(5)-H(3) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(7) and one N(2) atom. The C(6)-C(7) bond length is 1.46 Å. The C(6)-N(2) bond length is 1.36 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(6), one C(8), and one N(4) atom. The C(7)-C(8) bond length is 1.50 Å. The C(7)-N(4) bond length is 1.31 Å. In the eighth C site, C(8) is bonded in a distorted trigonal non-coplanar geometry to one C(7), one H(4), one H(5), and one H(6) atom. The C(8)-H(4) bond length is 1.10 Å. The C(8)-H(5) bond length is 1.10 Å. The C(8)-H(6) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a 2-coordinate geometry to one C(2), one N(5), and one O(1) atom. The C(9)-N(5) bond length is 1.36 Å. The C(9)-O(1) bond length is 1.27 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(2) and one H(7) atom. The C(10)-H(7) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(12) and one H(8) atom. The C(11)-C(12) bond length is 1.39 Å. The C(11)-H(8) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one N(1), and one H(9) atom. The C(12)-N(1) bond length is 1.35 Å. The C(12)-H(9) bond length is 1.09 Å. In the thirteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(3) atom. The C(14)-O(2) bond length is 1.28 Å. The C(14)-O(3) bond length is 1.28 Å. There are five inequivalent N sites. In the first N site, N(5) is bonded in a distorted water-like geometry to one C(9) and one N(4) atom. The N(5)-N(4) bond length is 1.34 Å. In the second N site, N(1) is bonded in a trigonal planar geometry to one Cd(1), one C(1), and one C(12) atom. In the third N site, N(2) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(3), and one C(6) atom. In the fourth N site, N(3) is bonded in a trigonal planar geometry to one Cd(1), one C(4), and one C(5) atom. In the fifth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(7), and one N(5) atom. There are ten 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(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(8) 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(10) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(11) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(12) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one C(9) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Cd(1) and one C(14) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cd(1) and one C(14) atom. Linkers: 1 C/C(=N\[N]C(=O)c1cccnc1)c1cnccn1 ,1 C[C]1C2=CN=C[CH]N2[Cd]2(OC(C)=O)(N3[CH]C(C(=O)[N]/N=C(\C)c4cnccn4)=CC=C3)(N3[CH]C=NC(/C(C)=N/[N]C(=O)c4cccnc4)=C3)OC(c3cccnc3)=NN12. Metal clusters: 3 CC(=O)O[Cd][O]. The MOF has largest included sphere 4.70 A, density 1.19 g/cm3, surface area 4465.60 m2/g, accessible volume 0.35 cm3/g