Cu3C16P2H14(NO4)2(C3H2)2 crystallizes in the triclinic P1 space group. The structure consists of one 2,3-dimethyl-1,3-butadiene molecule inside a Cu3C16P2H14(NO4)2 framework. In the Cu3C16P2H14(NO4)2 framework, there are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(5), one O(6), one O(7), and one O(8) atom. The Cu(1)-O(5) bond length is 1.99 Å. The Cu(1)-O(6) bond length is 1.96 Å. The Cu(1)-O(7) bond length is 1.90 Å. The Cu(1)-O(8) bond length is 1.91 Å. In the second Cu site, Cu(2) is bonded to one N(1), one O(1), one O(2), one O(4), and one O(8) atom to form distorted CuNO4 trigonal bipyramids that share  a cornercorner with one P(1)CO3 tetrahedra, corners with two equivalent P(2)CO3 tetrahedra, and  an edgeedge with one Cu(3)NO4 trigonal bipyramid. The Cu(2)-N(1) bond length is 1.99 Å. The Cu(2)-O(1) bond length is 2.01 Å. The Cu(2)-O(2) bond length is 2.28 Å. The Cu(2)-O(4) bond length is 1.98 Å. The Cu(2)-O(8) bond length is 1.96 Å. In the third Cu site, Cu(3) is bonded to one N(2), one O(1), one O(2), one O(3), and one O(7) atom to form CuNO4 trigonal bipyramids that share  a cornercorner with one P(2)CO3 tetrahedra, corners with two equivalent P(1)CO3 tetrahedra, and  an edgeedge with one Cu(2)NO4 trigonal bipyramid. The Cu(3)-N(2) bond length is 1.98 Å. The Cu(3)-O(1) bond length is 2.26 Å. The Cu(3)-O(2) bond length is 2.01 Å. The Cu(3)-O(3) bond length is 1.99 Å. The Cu(3)-O(7) bond length is 1.94 Å. There are sixteen inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(11), one C(3), and one P(1) atom. The C(1)-C(11) bond length is 1.40 Å. The C(1)-C(3) bond length is 1.40 Å. The C(1)-P(1) bond length is 1.82 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(12), one C(4), and one P(2) atom. The C(2)-C(12) bond length is 1.40 Å. The C(2)-C(4) bond length is 1.40 Å. The C(2)-P(2) bond length is 1.82 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(1) and one H(3) atom. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(2) and one H(4) atom. The C(4)-H(4) bond length is 1.09 Å. In the fifth C site, C(11) is bonded in a distorted single-bond geometry to one C(1) and one H(9) atom. The C(11)-H(9) bond length is 1.09 Å. In the sixth C site, C(12) is bonded in a distorted single-bond geometry to one C(2) and one H(10) atom. The C(12)-H(10) bond length is 1.09 Å. In the seventh C site, C(13) is bonded in a distorted trigonal planar geometry to one C(15), one N(1), and one H(11) atom. The C(13)-C(15) bond length is 1.39 Å. The C(13)-N(1) bond length is 1.34 Å. The C(13)-H(11) bond length is 1.09 Å. In the eighth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(16), one N(2), and one H(12) atom. The C(14)-C(16) bond length is 1.39 Å. The C(14)-N(2) bond length is 1.34 Å. The C(14)-H(12) bond length is 1.09 Å. In the ninth C site, C(15) is bonded in a distorted single-bond geometry to one C(13), one C(17), and one H(13) atom. The C(15)-C(17) bond length is 1.40 Å. The C(15)-H(13) bond length is 1.09 Å. In the tenth C site, C(16) is bonded in a distorted single-bond geometry to one C(14), one C(18), and one H(14) atom. The C(16)-C(18) bond length is 1.40 Å. The C(16)-H(14) bond length is 1.09 Å. In the eleventh C site, C(17) is bonded in a trigonal planar geometry to one C(15), one C(18), and one C(19) atom. The C(17)-C(18) bond length is 1.48 Å. The C(17)-C(19) bond length is 1.41 Å. In the twelfth C site, C(18) is bonded in a trigonal planar geometry to one C(16), one C(17), and one C(20) atom. The C(18)-C(20) bond length is 1.41 Å. In the thirteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(17) and one H(15,16) atom. The C(19)-H(15,16) bond length is 1.09 Å. In the fourteenth C site, C(20) is bonded in a distorted single-bond geometry to one C(18) and one H(15,16) atom. The C(20)-H(15,16) bond length is 1.09 Å. In the fifteenth C site, C(21) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(17) atom. The C(21)-N(1) bond length is 1.35 Å. The C(21)-H(17) bond length is 1.09 Å. In the sixteenth C site, C(22) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(18) atom. The C(22)-N(2) bond length is 1.35 Å. The C(22)-H(18) bond length is 1.09 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one C(1), one O(1), one O(3), and one O(5) atom to form PCO3 tetrahedra that share  a cornercorner with one Cu(2)NO4 trigonal bipyramid and corners with two equivalent Cu(3)NO4 trigonal bipyramids. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.53 Å. The P(1)-O(5) bond length is 1.55 Å. In the second P site, P(2) is bonded to one C(2), one O(2), one O(4), and one O(6) atom to form PCO3 tetrahedra that share  a cornercorner with one Cu(3)NO4 trigonal bipyramid and corners with two equivalent Cu(2)NO4 trigonal bipyramids. The P(2)-O(2) bond length is 1.54 Å. The P(2)-O(4) bond length is 1.54 Å. The P(2)-O(6) bond length is 1.55 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(2), one C(13), and one C(21) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(3), one C(14), and one C(22) atom. There are thirteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. The H(1)-O(7) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(8) atom. The H(2)-O(8) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(11) atom. In the sixth H site, H(10) is bonded in a single-bond geometry to one C(12) atom. In the seventh H site, H(11) is bonded in a single-bond geometry to one C(13) atom. In the eighth H site, H(12) is bonded in a single-bond geometry to one C(14) atom. In the ninth H site, H(13) is bonded in a single-bond geometry to one C(15) atom. In the tenth H site, H(14) is bonded in a single-bond geometry to one C(16) atom. In the eleventh H site, H(15,16) is bonded in a single-bond geometry to one C(19) atom. In the twelfth H site, H(17) is bonded in a single-bond geometry to one C(21) atom. In the thirteenth H site, H(18) is bonded in a single-bond geometry to one C(22) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(3), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(3), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(3), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one H(2) atom. Linkers: 2 [O]P([O])c1ccc(-c2ccc(P([O])([O])=O)cc2)cc1 ,2 [O]P([O])c1[c]cc(-c2ccc(P([O])([O])=O)cc2)cc1 ,1 [O]P([O])(=O)c1ccc(-c2ccc(P([O])([O])=O)cc2)cc1 ,1 c1cc(-c2ccncc2)ccn1. Metal clusters: 3 [Cu]. The MOF has largest included sphere 2.06 A, density 2.02 g/cm3, surface area 3376.92 m2/g, accessible volume 0.16 cm3/g