CuC10H6(NO)4 crystallizes in the trigonal R-3 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one N(1), one N(5), one O(5), and one O(7) atom. The Cu(1)-N(1) bond length is 2.00 Å. The Cu(1)-N(5) bond length is 2.01 Å. The Cu(1)-O(5) bond length is 1.95 Å. The Cu(1)-O(7) bond length is 1.95 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one N(3), one N(7), one O(1), and one O(3) atom. The Cu(2)-N(3) bond length is 2.02 Å. The Cu(2)-N(7) bond length is 2.00 Å. The Cu(2)-O(1) bond length is 1.94 Å. The Cu(2)-O(3) bond length is 1.94 Å. There are twenty inequivalent C sites. In the first C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(2), and one H(3) atom. The C(5)-C(2) bond length is 1.39 Å. The C(5)-N(2) bond length is 1.36 Å. The C(5)-H(3) bond length is 0.95 Å. In the second C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(3), and one O(4) atom. The C(6)-C(7) bond length is 1.51 Å. The C(6)-O(3) bond length is 1.29 Å. The C(6)-O(4) bond length is 1.21 Å. In the third C site, C(7) is bonded in a trigonal planar geometry to one C(10), one C(6), and one C(8) atom. The C(7)-C(10) bond length is 1.39 Å. The C(7)-C(8) bond length is 1.38 Å. In the fourth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(7), one N(3), and one H(4) atom. The C(8)-N(3) bond length is 1.35 Å. The C(8)-H(4) bond length is 0.95 Å. In the fifth C site, C(9) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(5) atom. The C(9)-N(3) bond length is 1.32 Å. The C(9)-N(4) bond length is 1.32 Å. The C(9)-H(5) bond length is 0.95 Å. In the sixth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(7), one N(4), and one H(6) atom. The C(10)-N(4) bond length is 1.36 Å. The C(10)-H(6) bond length is 0.95 Å. In the seventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(5), and one O(6) atom. The C(11)-C(12) bond length is 1.51 Å. The C(11)-O(5) bond length is 1.27 Å. The C(11)-O(6) bond length is 1.22 Å. In the eighth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(15) atom. The C(12)-C(13) bond length is 1.37 Å. The C(12)-C(15) bond length is 1.39 Å. In the ninth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one N(6), and one H(7) atom. The C(13)-N(6) bond length is 1.36 Å. The C(13)-H(7) bond length is 0.95 Å. In the tenth C site, C(14) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(8) atom. The C(14)-N(5) bond length is 1.33 Å. The C(14)-N(6) bond length is 1.32 Å. The C(14)-H(8) bond length is 0.95 Å. In the eleventh C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(12), one N(5), and one H(9) atom. The C(15)-N(5) bond length is 1.35 Å. The C(15)-H(9) bond length is 0.95 Å. In the twelfth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(17), one O(7), and one O(8) atom. The C(16)-C(17) bond length is 1.51 Å. The C(16)-O(7) bond length is 1.28 Å. The C(16)-O(8) bond length is 1.23 Å. In the thirteenth C site, C(17) is bonded in a trigonal planar geometry to one C(16), one C(18), and one C(20) atom. The C(17)-C(18) bond length is 1.37 Å. The C(17)-C(20) bond length is 1.38 Å. In the fourteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(17), one N(7), and one H(10) atom. The C(18)-N(7) bond length is 1.35 Å. The C(18)-H(10) bond length is 0.95 Å. In the fifteenth C site, C(19) is bonded in a trigonal planar geometry to one N(7), one N(8), and one H(11) atom. The C(19)-N(7) bond length is 1.35 Å. The C(19)-N(8) bond length is 1.32 Å. The C(19)-H(11) bond length is 0.95 Å. In the sixteenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(17), one N(8), and one H(12) atom. The C(20)-N(8) bond length is 1.35 Å. The C(20)-H(12) bond length is 0.95 Å. In the seventeenth C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.52 Å. The C(1)-O(1) bond length is 1.30 Å. The C(1)-O(2) bond length is 1.21 Å. In the eighteenth C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(5) atom. The C(2)-C(3) bond length is 1.36 Å. In the nineteenth C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(1), and one H(1) atom. The C(3)-N(1) bond length is 1.35 Å. The C(3)-H(1) bond length is 0.95 Å. In the twentieth C site, C(4) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(2) atom. The C(4)-N(1) bond length is 1.35 Å. The C(4)-N(2) bond length is 1.31 Å. The C(4)-H(2) bond length is 0.95 Å. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(3), and one C(4) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(4) and one C(5) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(2), one C(8), and one C(9) atom. In the fourth N site, N(4) is bonded in a bent 120 degrees geometry to one C(10) and one C(9) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cu(1), one C(14), and one C(15) atom. In the sixth N site, N(6) is bonded in a bent 120 degrees geometry to one C(13) and one C(14) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Cu(2), one C(18), and one C(19) atom. In the eighth N site, N(8) is bonded in a bent 120 degrees geometry to one C(19) and one C(20) atom. There are twelve 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(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(13) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(14) 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(18) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(19) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(20) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(6) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(11) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one C(11) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(16) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one C(16) atom. Linkers: 1 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Metal clusters: 2 O=[C]O[Cu]O[C]=O. The MOF has largest included sphere 6.93 A, density 1.46 g/cm3, surface area 3766.88 m2/g, accessible volume 0.25 cm3/g