CuC16N5H13O3CHC3H2NO3 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 02329_fluka molecules; one 2,3-dimethyl-1,3-butadiene molecule; two nitric acid molecules; and one CuC16N5H13O3 cluster. In the CuC16N5H13O3 cluster, Cu(1) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(3), one N(4), and one O(4) atom. The Cu(1)-N(1) bond length is 2.02 Å. The Cu(1)-N(2) bond length is 2.00 Å. The Cu(1)-N(3) bond length is 2.01 Å. The Cu(1)-N(4) bond length is 2.02 Å. The Cu(1)-O(4) bond length is 2.46 Å. There are sixteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one H(2) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-H(2) bond length is 1.09 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(3) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(4) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-H(4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one C(6), and one N(1) atom. The C(5)-C(6) bond length is 1.47 Å. The C(5)-N(1) bond length is 1.36 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one N(2) atom. The C(6)-C(7) bond length is 1.40 Å. The C(6)-N(2) bond length is 1.35 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 H(5) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-H(5) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(7) and one H(6) atom. The C(8)-H(6) bond length is 1.09 Å. In the ninth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(8) atom. The C(10)-N(2) bond length is 1.34 Å. The C(10)-H(8) bond length is 1.09 Å. In the tenth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(9) atom. The C(11)-N(3) bond length is 1.35 Å. The C(11)-H(9) bond length is 1.09 Å. In the eleventh C site, C(15) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(12) atom. The C(15)-N(3) bond length is 1.34 Å. The C(15)-H(12) bond length is 1.09 Å. In the twelfth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(17), one N(4), and one H(13) atom. The C(16)-C(17) bond length is 1.39 Å. The C(16)-N(4) bond length is 1.35 Å. The C(16)-H(13) bond length is 1.09 Å. In the thirteenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(16), one C(18), and one H(14) atom. The C(17)-C(18) bond length is 1.40 Å. The C(17)-H(14) bond length is 1.09 Å. In the fourteenth C site, C(18) is bonded in a trigonal planar geometry to one C(17), one C(18), and one C(19) atom. The C(18)-C(18) bond length is 1.48 Å. The C(18)-C(19) bond length is 1.40 Å. In the fifteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(18) and one H(15) atom. The C(19)-H(15) bond length is 1.09 Å. In the sixteenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(16) atom. The C(20)-N(4) bond length is 1.35 Å. The C(20)-H(16) bond length is 1.09 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(10), and one C(6) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(1), one C(11), and one C(15) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(16), and one C(20) atom. In the fifth N site, N(6) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. The N(6)-O(4) bond length is 1.30 Å. The N(6)-O(5) bond length is 1.26 Å. The N(6)-O(6) bond length is 1.25 Å. There are thirteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) 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(8) is bonded in a single-bond geometry to one C(10) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(11) atom. In the ninth H site, H(12) is bonded in a single-bond geometry to one C(15) atom. In the tenth H site, H(13) is bonded in a single-bond geometry to one C(16) atom. In the eleventh H site, H(14) is bonded in a single-bond geometry to one C(17) atom. In the twelfth H site, H(15) is bonded in a single-bond geometry to one C(19) atom. In the thirteenth H site, H(16) is bonded in a single-bond geometry to one C(20) atom. There are three inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to one Cu(1) and one N(6) atom. In the second O site, O(5) is bonded in a single-bond geometry to one N(6) atom. In the third O site, O(6) is bonded in a single-bond geometry to one N(6) atom. Linkers: 2 c1cc(-c2ccncc2)ccn1. Metal clusters: 2 [Cu].[O][N+](=O)[O-]. The MOF has largest included sphere 3.57 A, density 1.43 g/cm3, surface area 4245.82 m2/g, accessible volume 0.21 cm3/g