Cu3C16P4H18(NO9)2 crystallizes in the triclinic P1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(10), one O(11), one O(12), and one O(9) atom. The Cu(1)-O(10) bond length is 1.91 Å. The Cu(1)-O(11) bond length is 2.01 Å. The Cu(1)-O(12) bond length is 2.01 Å. The Cu(1)-O(9) bond length is 1.91 Å. In the second Cu site, Cu(2) is bonded to one O(15), one O(2), one O(4), one O(6), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one P(2)CO3 tetrahedra,  a cornercorner with one P(3)CO3 tetrahedra, and  a cornercorner with one P(4)CO3 tetrahedra. The Cu(2)-O(15) bond length is 2.00 Å. The Cu(2)-O(2) bond length is 2.00 Å. The Cu(2)-O(4) bond length is 1.95 Å. The Cu(2)-O(6) bond length is 2.31 Å. The Cu(2)-O(7) bond length is 1.92 Å. In the third Cu site, Cu(3) is bonded to one O(1), one O(16), one O(3), one O(5), and one O(8) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one P(1)CO3 tetrahedra,  a cornercorner with one P(3)CO3 tetrahedra, and  a cornercorner with one P(4)CO3 tetrahedra. The Cu(3)-O(1) bond length is 2.00 Å. The Cu(3)-O(16) bond length is 2.00 Å. The Cu(3)-O(3) bond length is 1.96 Å. The Cu(3)-O(5) bond length is 2.30 Å. The Cu(3)-O(8) bond length is 1.92 Å. There are fourteen inequivalent C sites. In the first C site, C(1,2) is bonded in a distorted single-bond geometry to one C(13), one C(3), and one H(3) atom. The C(1,2)-C(13) bond length is 1.40 Å. The C(1,2)-C(3) bond length is 1.38 Å. The C(1,2)-H(3) bond length is 1.09 Å. In the second C site, C(3) is bonded in a distorted trigonal planar geometry to one C(1,2); one N(1,2); and one H(5,6) atom. The C(3)-N(1,2) bond length is 1.35 Å. The C(3)-H(5,6) bond length is 1.09 Å. In the third C site, C(4) is bonded in a distorted trigonal planar geometry to one C(1,2); one N(1,2); and one H(5,6) atom. The C(4)-C(1,2) bond length is 1.38 Å. The C(4)-N(1,2) bond length is 1.35 Å. The C(4)-H(5,6) bond length is 1.09 Å. In the fourth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(7,8); one N(1,2); and one H(7,8) atom. The C(5)-C(7,8) bond length is 1.38 Å. The C(5)-N(1,2) bond length is 1.35 Å. The C(5)-H(7,8) bond length is 1.09 Å. In the fifth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(7,8); one N(1,2); and one H(7,8) atom. The C(6)-C(7,8) bond length is 1.38 Å. The C(6)-N(1,2) bond length is 1.35 Å. The C(6)-H(7,8) bond length is 1.09 Å. In the sixth C site, C(7,8) is bonded in a distorted single-bond geometry to one C(13); one C(5); and one H(9,10) atom. The C(7,8)-C(13) bond length is 1.41 Å. The C(7,8)-H(9,10) bond length is 1.09 Å. In the seventh C site, C(9) is bonded in a distorted tetrahedral geometry to one C(15), one P(1), one P(3), and one O(17) atom. The C(9)-C(15) bond length is 1.56 Å. The C(9)-P(1) bond length is 1.86 Å. The C(9)-P(3) bond length is 1.86 Å. The C(9)-O(17) bond length is 1.42 Å. In the eighth C site, C(10) is bonded in a distorted tetrahedral geometry to one C(16), one P(2), one P(4), and one O(18) atom. The C(10)-C(16) bond length is 1.56 Å. The C(10)-P(2) bond length is 1.86 Å. The C(10)-P(4) bond length is 1.86 Å. The C(10)-O(18) bond length is 1.42 Å. In the ninth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(15) atom. The C(11)-O(1) bond length is 1.27 Å. The C(11)-O(15) bond length is 1.27 Å. In the tenth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one O(16) and one O(2) atom. The C(12)-O(16) bond length is 1.27 Å. The C(12)-O(2) bond length is 1.27 Å. In the eleventh C site, C(13) is bonded in a trigonal planar geometry to one C(1,2); one C(15); and one C(7,8) atom. The C(13)-C(15) bond length is 1.50 Å. In the twelfth C site, C(14) is bonded in a trigonal planar geometry to one C(1,2); one C(16); and one C(7,8) atom. The C(14)-C(1,2) bond length is 1.40 Å. The C(14)-C(16) bond length is 1.50 Å. The C(14)-C(7,8) bond length is 1.41 Å. In the thirteenth C site, C(15) is bonded in a distorted water-like geometry to one C(13); one C(9); one H(13,14); and one H(15,16) atom. The C(15)-H(13,14) bond length is 1.10 Å. The C(15)-H(15,16) bond length is 1.10 Å. In the fourteenth C site, C(16) is bonded in a distorted water-like geometry to one C(10); one C(14); one H(13,14); and one H(15,16) atom. The C(16)-H(13,14) bond length is 1.10 Å. The C(16)-H(15,16) bond length is 1.10 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one C(9), one O(11), one O(13), and one O(5) atom to form PCO3 tetrahedra that share  a cornercorner with one P(3)CO3 tetrahedra and  a cornercorner with one Cu(3)O5 trigonal bipyramid. The P(1)-O(11) bond length is 1.54 Å. The P(1)-O(13) bond length is 1.58 Å. The P(1)-O(5) bond length is 1.52 Å. In the second P site, P(2) is bonded to one C(10), one O(12), one O(14), and one O(6) atom to form PCO3 tetrahedra that share  a cornercorner with one P(4)CO3 tetrahedra and  a cornercorner with one Cu(2)O5 trigonal bipyramid. The P(2)-O(12) bond length is 1.54 Å. The P(2)-O(14) bond length is 1.58 Å. The P(2)-O(6) bond length is 1.52 Å. In the third P site, P(3) is bonded to one C(9), one O(3), one O(7), and one O(9) atom to form PCO3 tetrahedra that share  a cornercorner with one P(1)CO3 tetrahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and  a cornercorner with one Cu(3)O5 trigonal bipyramid. The P(3)-O(3) bond length is 1.54 Å. The P(3)-O(7) bond length is 1.53 Å. The P(3)-O(9) bond length is 1.54 Å. In the fourth P site, P(4) is bonded to one C(10), one O(10), one O(4), and one O(8) atom to form PCO3 tetrahedra that share  a cornercorner with one P(2)CO3 tetrahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and  a cornercorner with one Cu(3)O5 trigonal bipyramid. The P(4)-O(10) bond length is 1.54 Å. The P(4)-O(4) bond length is 1.55 Å. The P(4)-O(8) bond length is 1.53 Å. N(1,2) is bonded in a trigonal planar geometry to one C(3), one C(5), and one H(17) atom. The N(1,2)-H(17) bond length is 1.04 Å. There are thirteen inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(13) and one O(6) atom. The H(1)-O(13) bond length is 1.03 Å. The H(1)-O(6) bond length is 1.55 Å. In the second H site, H(2) is bonded in a linear geometry to one O(14) and one O(5) atom. The H(2)-O(14) bond length is 1.03 Å. The H(2)-O(5) bond length is 1.55 Å. In the third H site, H(3) is bonded in a single-bond geometry to one C(1,2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(1,2) atom. The H(4)-C(1,2) bond length is 1.09 Å. In the fifth H site, H(5,6) is bonded in a single-bond geometry to one C(3) atom. In the sixth H site, H(7,8) is bonded in a single-bond geometry to one C(5) atom. In the seventh H site, H(9,10) is bonded in a single-bond geometry to one C(7,8) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one O(17) and one O(4) atom. The H(11)-O(17) bond length is 1.00 Å. The H(11)-O(4) bond length is 1.70 Å. In the ninth H site, H(12) is bonded in a single-bond geometry to one O(18) and one O(3) atom. The H(12)-O(18) bond length is 1.00 Å. The H(12)-O(3) bond length is 1.71 Å. In the tenth H site, H(13,14) is bonded in a single-bond geometry to one C(15) atom. In the eleventh H site, H(15,16) is bonded in a single-bond geometry to one C(15) atom. In the twelfth H site, H(17) is bonded in a single-bond geometry to one N(1,2) atom. In the thirteenth H site, H(18) is bonded in a single-bond geometry to one N(1,2) atom. The H(18)-N(1,2) bond length is 1.04 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Cu(3) and one C(11) atom. In the second O site, O(2) is bonded in a water-like geometry to one Cu(2) and one C(12) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(3), one P(3), and one H(12) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cu(2), one P(4), and one H(11) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(3), one P(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(2), one P(2), and one H(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one P(1) and one H(1) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(2) and one H(2) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one Cu(2) and one C(11) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one Cu(3) and one C(12) atom. In the seventeenth O site, O(17) is bonded in a water-like geometry to one C(9) and one H(11) atom. In the eighteenth O site, O(18) is bonded in a water-like geometry to one C(10) and one H(12) atom. Linkers: 2 [O]P([O])(=O)C(O)(CC1=C[CH]NC=C1)P([O])(=O)O ,1 [O]C(=O)C([O])=O. Metal clusters: 3 [Cu]. The MOF has largest included sphere 2.03 A, density 2.27 g/cm3, surface area 3002.97 m2/g, accessible volume 0.08 cm3/g