HoCuC16H9(NO5)2 crystallizes in the monoclinic P2_1/c space group. Ho(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(7), one O(8), and two equivalent O(5) atoms. The Ho(1)-O(1) bond length is 2.43 Å. The Ho(1)-O(2) bond length is 2.44 Å. The Ho(1)-O(4) bond length is 2.41 Å. The Ho(1)-O(7) bond length is 2.48 Å. The Ho(1)-O(8) bond length is 2.42 Å. There is one shorter (2.37 Å) and one longer (2.50 Å) Ho(1)-O(5) bond length. Cu(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), one O(3), and one O(6) atom. The Cu(1)-N(1) bond length is 2.00 Å. The Cu(1)-N(2) bond length is 2.00 Å. The Cu(1)-O(3) bond length is 2.00 Å. The Cu(1)-O(6) bond length is 1.98 Å. There are sixteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(7) and one H(2) atom. The C(1)-C(7) bond length is 1.39 Å. The C(1)-H(2) bond length is 0.93 Å. In the second C site, C(2) is bonded in a 3-coordinate geometry to one C(14), one N(1), and one H(3) atom. The C(2)-C(14) bond length is 1.40 Å. The C(2)-N(1) bond length is 1.33 Å. The C(2)-H(3) bond length is 0.93 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(15), one N(2), and one H(4) atom. The C(3)-C(15) bond length is 1.39 Å. The C(3)-N(2) bond length is 1.35 Å. The C(3)-H(4) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(6) atom. The C(4)-N(2) bond length is 1.34 Å. The C(4)-H(6) bond length is 0.93 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(12), one C(15), and one C(9) atom. The C(5)-C(12) bond length is 1.49 Å. The C(5)-C(15) bond length is 1.41 Å. The C(5)-C(9) bond length is 1.39 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(16), one O(5), and one O(8) atom. The C(6)-C(16) bond length is 1.48 Å. The C(6)-O(5) bond length is 1.27 Å. The C(6)-O(8) bond length is 1.28 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(1), one C(14), and one C(8) atom. The C(7)-C(14) bond length is 1.39 Å. The C(7)-C(8) bond length is 1.52 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(10), and one O(3) atom. The C(8)-O(10) bond length is 1.22 Å. The C(8)-O(3) bond length is 1.27 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(5) and one H(9) atom. The C(9)-H(9) bond length is 0.93 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(14), one O(1), and one O(4) atom. The C(10)-C(14) bond length is 1.50 Å. The C(10)-O(1) bond length is 1.25 Å. The C(10)-O(4) bond length is 1.25 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(8) atom. The C(11)-N(1) bond length is 1.35 Å. The C(11)-H(8) bond length is 0.93 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(6), and one O(9) atom. The C(12)-O(6) bond length is 1.30 Å. The C(12)-O(9) bond length is 1.22 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(15), one O(2), and one O(7) atom. The C(13)-C(15) bond length is 1.50 Å. The C(13)-O(2) bond length is 1.29 Å. The C(13)-O(7) bond length is 1.24 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one C(10), one C(2), and one C(7) atom. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(13), one C(3), and one C(5) atom. In the sixteenth C site, C(16) is bonded in a trigonal non-coplanar geometry to one C(6) and three equivalent H(1,5,7) atoms. All C(16)-H(1,5,7) bond lengths are 0.96 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(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(3), and one C(4) atom. There are seven inequivalent H sites. In the first H site, H(1,5,7) is bonded in a single-bond geometry to one C(16) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(3) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(4) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(11) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Ho(1) and one C(10) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ho(1) and one C(13) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(8) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ho(1) and one C(10) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ho(1) and one C(6) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(12) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Ho(1) and one C(13) atom. In the eighth O site, O(8) is bonded in a distorted L-shaped geometry to one Ho(1) and one C(6) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one C(12) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one C(8) atom. 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Metal clusters: 2 C[C]1O[Ho]23(O[C]O2)(O[C]O3)O[C](C)O[Ho]23(O[C]O2)(O[C]O3)O1. RCSR code: bbe. The MOF has largest included sphere 6.12 A, density 1.41 g/cm3, surface area 3216.01 m2/g, accessible volume 0.40 cm3/g