Cu3C16P4H18(NO9)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form CuO5 square pyramids that share  a cornercorner with one P(1)CO3 tetrahedra and corners with two equivalent P(2)CO3 tetrahedra. The Cu(1)-O(2) bond length is 2.26 Å. The Cu(1)-O(4) bond length is 1.96 Å. The Cu(1)-O(5) bond length is 1.96 Å. The Cu(1)-O(8) bond length is 2.00 Å. The Cu(1)-O(9) bond length is 2.03 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(6) atoms. Both Cu(2)-O(3) bond lengths are 1.98 Å. Both Cu(2)-O(6) bond lengths are 1.92 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted tetrahedral geometry to one C(2), one P(1), one P(2), and one O(7) atom. The C(1)-C(2) bond length is 1.55 Å. The C(1)-P(1) bond length is 1.86 Å. The C(1)-P(2) bond length is 1.86 Å. The C(1)-O(7) bond length is 1.42 Å. In the second C site, C(2) is bonded in a distorted water-like geometry to one C(1), one C(3), one H(4), and one H(5) atom. The C(2)-C(3) bond length is 1.50 Å. The C(2)-H(4) bond length is 1.10 Å. The C(2)-H(5) bond length is 1.10 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(7) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(7) bond length is 1.39 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one H(6) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(6) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(7) atom. The C(5)-C(6) bond length is 1.38 Å. The C(5)-H(7) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one N(1), and one H(8) atom. The C(6)-N(1) bond length is 1.35 Å. The C(6)-H(8) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one H(9) atom. The C(7)-N(1) bond length is 1.34 Å. The C(7)-H(9) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one O(8) and one O(9) atom. The C(8)-O(8) bond length is 1.27 Å. The C(8)-O(9) bond length is 1.27 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(2), and one O(3) atom to form PCO3 tetrahedra that share  a cornercorner with one Cu(1)O5 square pyramid and  a cornercorner with one P(2)CO3 tetrahedra. The P(1)-O(1) bond length is 1.58 Å. The P(1)-O(2) bond length is 1.53 Å. The P(1)-O(3) bond length is 1.53 Å. In the second P site, P(2) is bonded to one C(1), one O(4), one O(5), and one O(6) atom to form PCO3 tetrahedra that share corners with two equivalent Cu(1)O5 square pyramids and  a cornercorner with one P(1)CO3 tetrahedra. The P(2)-O(4) bond length is 1.55 Å. The P(2)-O(5) bond length is 1.55 Å. The P(2)-O(6) bond length is 1.53 Å. N(1) is bonded in a trigonal planar geometry to one C(6), one C(7), and one H(3) atom. The N(1)-H(3) bond length is 1.05 Å. There are nine inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. The H(1)-O(1) bond length is 1.03 Å. The H(1)-O(2) bond length is 1.52 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(5) and one O(7) atom. The H(2)-O(5) bond length is 1.68 Å. The H(2)-O(7) bond length is 1.00 Å. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) and one O(4) atom. The H(3)-O(4) bond length is 1.73 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(5) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(6) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(7) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one H(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cu(1), one P(2), and one H(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one P(2), and one H(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one C(1) and one H(2) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Cu(1) and one C(8) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Cu(1) and one C(8) atom. Linkers: 2 [O]P([O])(=O)C(O)(CC1=CN[CH]C=C1)P([O])(=O)O ,1 [O]C(=O)C([O])=O. Metal clusters: 3 [Cu]. The MOF has largest included sphere 1.89 A, density 2.28 g/cm3, surface area 2995.39 m2/g, accessible volume 0.07 cm3/g