CuC13H11(NO)2 is alpha Selenium structured and crystallizes in the trigonal P3_1 space group. The structure is zero-dimensional and consists of three CuC13H11(NO)2 clusters. Cu(1) is bonded in a 4-coordinate geometry to one C(2), one C(3), one N(1), and one O(2) atom. The Cu(1)-C(2) bond length is 1.99 Å. The Cu(1)-C(3) bond length is 2.02 Å. The Cu(1)-N(1) bond length is 1.94 Å. The Cu(1)-O(2) bond length is 1.99 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 O(1) and one O(2) atom. The C(1)-O(1) bond length is 1.26 Å. The C(1)-O(2) bond length is 1.30 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one Cu(1) and one H(1) atom. The C(2)-H(1) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one Cu(1), one C(4), and one H(2) atom. The C(3)-C(4) bond length is 1.47 Å. The C(3)-H(2) bond length is 1.10 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(7) atom. The C(4)-C(5) bond length is 1.41 Å. The C(4)-C(7) bond length is 1.41 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one H(3) atom. 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(9) and one H(4) atom. The C(6)-C(9) bond length is 1.40 Å. The C(6)-H(4) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(4) and one H(5) atom. 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(9) and one H(6) atom. The C(8)-C(9) bond length is 1.40 Å. The C(8)-H(6) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(6), and one C(8) atom. The C(9)-C(10) bond length is 1.51 Å. In the tenth C site, C(10) is bonded in a distorted trigonal non-coplanar geometry to one C(9), one N(2), one H(7), and one H(8) atom. The C(10)-N(2) bond length is 1.48 Å. The C(10)-H(7) bond length is 1.10 Å. The C(10)-H(8) bond length is 1.10 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(9) atom. The C(11)-N(1) bond length is 1.34 Å. The C(11)-N(2) bond length is 1.36 Å. The C(11)-H(9) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(13), one N(2), and one H(10) atom. The C(12)-C(13) bond length is 1.37 Å. The C(12)-N(2) bond length is 1.38 Å. The C(12)-H(10) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(12), one N(1), and one H(11) atom. The C(13)-N(1) bond length is 1.39 Å. The C(13)-H(11) bond length is 1.08 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(11), and one C(13) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(12) atom. There are eleven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) 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(10) 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(11) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(12) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(13) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Cu(1) and one C(1) atom. Linkers: 3 [O]C(=O)[CH][CH]c1ccc(Cn2ccnc2)cc1. Metal clusters: 3 [Cu]. The MOF has largest included sphere 2.04 A, density 1.69 g/cm3, surface area 4517.53 m2/g, accessible volume 0.17 cm3/g