Mo4CuC12H10(NO2)4(CH)2 crystallizes in the monoclinic P2_1/c space group. The structure consists of eight 02329_fluka molecules inside a Mo4CuC12H10(NO2)4 framework. In the Mo4CuC12H10(NO2)4 framework, there are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(6), one O(7), and one O(8) atom. The Mo(1)-O(1) bond length is 2.05 Å. The Mo(1)-O(2) bond length is 2.10 Å. The Mo(1)-O(6) bond length is 2.36 Å. The Mo(1)-O(7) bond length is 1.76 Å. The Mo(1)-O(8) bond length is 1.84 Å. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), and two equivalent O(2) atoms. The Mo(2)-O(4) bond length is 2.15 Å. The Mo(2)-O(5) bond length is 1.74 Å. The Mo(2)-O(6) bond length is 1.85 Å. There is one shorter (1.99 Å) and one longer (2.54 Å) Mo(2)-O(2) bond length. In the third Mo site, Mo(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. The Mo(3)-O(1) bond length is 1.84 Å. The Mo(3)-O(2) bond length is 2.21 Å. The Mo(3)-O(3) bond length is 1.74 Å. The Mo(3)-O(4) bond length is 1.99 Å. The Mo(3)-O(5) bond length is 2.36 Å. In the fourth Mo site, Mo(4) is bonded in a 4-coordinate geometry to one O(4), one O(6), one O(7), and one O(8) atom. The Mo(4)-O(4) bond length is 1.98 Å. The Mo(4)-O(6) bond length is 2.27 Å. The Mo(4)-O(7) bond length is 2.26 Å. The Mo(4)-O(8) bond length is 1.93 Å. Cu(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), one N(4), and one O(3) atom. The Cu(1)-N(1) bond length is 2.00 Å. The Cu(1)-N(2) bond length is 1.97 Å. The Cu(1)-N(4) bond length is 1.97 Å. The Cu(1)-O(3) bond length is 1.99 Å. There are twelve 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 1.35 Å. The C(1)-N(1) bond length is 1.33 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1) and one H(2) atom. The C(2)-H(2) bond length is 0.93 Å. In the third C site, C(4) is bonded in a distorted single-bond geometry to one C(5) and one H(4) atom. The C(4)-C(5) bond length is 1.38 Å. The C(4)-H(4) bond length is 0.93 Å. In the fourth 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 1.44 Å. The C(5)-N(1) bond length is 1.36 Å. In the fifth C site, C(6) is bonded in a 3-coordinate geometry to one C(5), one N(2), and one N(3) atom. The C(6)-N(2) bond length is 1.33 Å. The C(6)-N(3) bond length is 1.36 Å. In the sixth C site, C(7) is bonded in a 3-coordinate geometry to one C(8), one N(2), and one H(5) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-N(2) bond length is 1.37 Å. The C(7)-H(5) bond length is 0.93 Å. In the seventh C site, C(8) is bonded in a 2-coordinate geometry to one C(7), one N(3), and one H(6) atom. The C(8)-N(3) bond length is 1.39 Å. The C(8)-H(6) bond length is 0.93 Å. In the eighth C site, C(9) is bonded in a 3-coordinate geometry to one C(10); one N(3); and two equivalent H(7,8) atoms. The C(9)-C(10) bond length is 1.54 Å. The C(9)-N(3) bond length is 1.46 Å. Both C(9)-H(7,8) bond lengths are 0.97 Å. In the ninth C site, C(10) is bonded in a trigonal planar geometry to one C(11), one C(14), and one C(9) atom. The C(10)-C(11) bond length is 1.37 Å. The C(10)-C(14) bond length is 1.37 Å. In the tenth C site, C(11) is bonded in a distorted single-bond geometry to one C(10) and one H(9) atom. The C(11)-H(9) bond length is 0.93 Å. In the eleventh C site, C(13) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(11) atom. The C(13)-N(4) bond length is 1.34 Å. The C(13)-H(11) bond length is 0.93 Å. In the twelfth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(10), one N(4), and one H(12) atom. The C(14)-N(4) bond length is 1.32 Å. The C(14)-H(12) bond length is 0.93 Å. There are four 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 distorted trigonal planar geometry to one Cu(1), one C(6), and one C(7) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(6), one C(8), and one C(9) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(13), and one C(14) atom. There are nine 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(4) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(7,8) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(13) atom. In the ninth H site, H(12) is bonded in a single-bond geometry to one C(14) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Mo(1) and one Mo(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(3), and two equivalent Mo(2) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(3) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mo(2), one Mo(3), and one Mo(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one Mo(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(4) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(4) atom. Linkers: 4 c1ccc(-c2nccn2Cc2cccnc2)nc1. Metal clusters: 4 [Cu] ,16 [Mo]. The MOF has largest included sphere 5.24 A, density 2.04 g/cm3, surface area 2550.87 m2/g, accessible volume 0.20 cm3/g