Mo4Cu2C6N6H8O13(CH2)4 crystallizes in the triclinic P-1 space group. The structure consists of eight 02329_fluka molecules inside a Mo4Cu2C6N6H8O13 framework. In the Mo4Cu2C6N6H8O13 framework, there are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(13), one O(2), one O(5), and one O(8) atom. The Mo(1)-O(1) bond length is 1.93 Å. The Mo(1)-O(12) bond length is 2.31 Å. The Mo(1)-O(13) bond length is 1.72 Å. The Mo(1)-O(2) bond length is 1.93 Å. The Mo(1)-O(5) bond length is 2.51 Å. The Mo(1)-O(8) bond length is 1.71 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(9) atom. The Mo(2)-O(1) bond length is 1.89 Å. The Mo(2)-O(3) bond length is 1.74 Å. The Mo(2)-O(5) bond length is 2.30 Å. The Mo(2)-O(6) bond length is 2.44 Å. The Mo(2)-O(7) bond length is 1.99 Å. The Mo(2)-O(9) bond length is 1.72 Å. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. The Mo(3)-O(10) bond length is 1.72 Å. The Mo(3)-O(2) bond length is 1.89 Å. The Mo(3)-O(4) bond length is 1.74 Å. The Mo(3)-O(5) bond length is 2.31 Å. The Mo(3)-O(6) bond length is 1.98 Å. The Mo(3)-O(7) bond length is 2.43 Å. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(6), one O(7), and two equivalent O(5) atoms. The Mo(4)-O(11) bond length is 1.71 Å. The Mo(4)-O(12) bond length is 1.76 Å. The Mo(4)-O(6) bond length is 1.95 Å. The Mo(4)-O(7) bond length is 1.96 Å. There is one shorter (2.14 Å) and one longer (2.53 Å) Mo(4)-O(5) bond length. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a trigonal pyramidal geometry to one N(1), one N(2), one O(3), and one O(4) atom. The Cu(1)-N(1) bond length is 1.95 Å. The Cu(1)-N(2) bond length is 1.95 Å. The Cu(1)-O(3) bond length is 2.07 Å. The Cu(1)-O(4) bond length is 2.07 Å. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one N(3), one N(4), one O(10), and one O(9) atom. The Cu(2)-N(3) bond length is 1.90 Å. The Cu(2)-N(4) bond length is 1.90 Å. The Cu(2)-O(10) bond length is 2.32 Å. The Cu(2)-O(9) bond length is 2.36 Å. There are six inequivalent C sites. In the first C site, C(3) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(5) atom. The C(3)-N(1) bond length is 1.33 Å. The C(3)-N(3) bond length is 1.36 Å. The C(3)-H(5) bond length is 1.08 Å. In the second C site, C(4) is bonded in a trigonal planar geometry to one N(2), one N(4), and one H(6) atom. The C(4)-N(2) bond length is 1.33 Å. The C(4)-N(4) bond length is 1.36 Å. The C(4)-H(6) bond length is 1.08 Å. In the third C site, C(5) is bonded in a 3-coordinate geometry to one N(5), one H(7), and one H(9) atom. The C(5)-N(5) bond length is 1.46 Å. The C(5)-H(7) bond length is 1.10 Å. The C(5)-H(9) bond length is 1.09 Å. In the fourth C site, C(6) is bonded in a 3-coordinate geometry to one N(6), one H(10), and one H(8) atom. The C(6)-N(6) bond length is 1.46 Å. The C(6)-H(10) bond length is 1.09 Å. The C(6)-H(8) bond length is 1.10 Å. In the fifth C site, C(7) is bonded in a trigonal planar geometry to one N(3), one N(5), and one H(11) atom. The C(7)-N(3) bond length is 1.35 Å. The C(7)-N(5) bond length is 1.33 Å. The C(7)-H(11) bond length is 1.09 Å. In the sixth C site, C(8) is bonded in a trigonal planar geometry to one N(4), one N(6), and one H(12) atom. The C(8)-N(4) bond length is 1.35 Å. The C(8)-N(6) bond length is 1.33 Å. The C(8)-H(12) bond length is 1.09 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(3), and one N(5) atom. The N(1)-N(5) bond length is 1.37 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(4), and one N(6) atom. The N(2)-N(6) bond length is 1.37 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(3), and one C(7) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(2), one C(4), and one C(8) atom. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one N(1) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one C(6), one C(8), and one N(2) atom. There are eight inequivalent H sites. In the first H site, H(5) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(6) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(7) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(8) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(10) is bonded in a single-bond geometry to one C(6) atom. In the seventh H site, H(11) is bonded in a single-bond geometry to one C(7) atom. In the eighth H site, H(12) is bonded in a single-bond geometry to one C(8) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(3) and one Cu(1) atom. In the fifth O site, O(5) is bonded to one Mo(1), one Mo(2), one Mo(3), and two equivalent Mo(4) atoms to form distorted edge-sharing OMo5 square pyramids. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mo(2), one Mo(3), and one Mo(4) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Mo(2), one Mo(3), and one Mo(4) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Mo(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one Cu(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Mo(3) and one Cu(2) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Mo(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one Mo(4) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one Mo(1) atom. Linkers: 2 c1ncn(CCCCCCn2cncn2)n1. Metal clusters: 4 [Cu] ,8 [Mo]. The MOF has largest included sphere 2.12 A, density 2.77 g/cm3, surface area 2494.98 m2/g, accessible volume 0.09 cm3/g