Cu2C15PN3H12I2 crystallizes in the trigonal R-3 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one P(1), one I(2), and two equivalent I(1) atoms to form edge-sharing CuPI3 tetrahedra. The Cu(1)-P(1) bond length is 2.19 Å. The Cu(1)-I(2) bond length is 2.66 Å. There is one shorter (2.63 Å) and one longer (2.67 Å) Cu(1)-I(1) bond length. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one N(1), one N(2), one N(3), and one I(2) atom. The Cu(2)-N(1) bond length is 2.00 Å. The Cu(2)-N(2) bond length is 2.01 Å. The Cu(2)-N(3) bond length is 2.01 Å. The Cu(2)-I(2) bond length is 2.53 Å. There are fifteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one P(1), and one N(1) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-P(1) bond length is 1.84 Å. The C(1)-N(1) bond length is 1.35 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1) and one H(1) atom. The C(2)-H(1) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(4) and one H(2) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-H(2) bond length is 1.09 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(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(3) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one H(4) atom. The C(5)-N(1) bond length is 1.35 Å. The C(5)-H(4) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(7), one P(1), and one N(2) atom. The C(6)-C(7) bond length is 1.40 Å. The C(6)-P(1) bond length is 1.85 Å. The C(6)-N(2) bond length is 1.36 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(6), one C(8), and one H(5) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-H(5) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(7), one C(9), and one H(6) atom. The C(8)-C(9) bond length is 1.40 Å. The C(8)-H(6) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(8), and one H(7) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-H(7) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(2), and one H(8) atom. The C(10)-N(2) bond length is 1.35 Å. The C(10)-H(8) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(12), one P(1), and one N(3) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-P(1) bond length is 1.85 Å. The C(11)-N(3) bond length is 1.35 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(11) and one H(9) atom. The C(12)-H(9) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(14) and one H(10) atom. The C(13)-C(14) bond length is 1.40 Å. The C(13)-H(10) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(13), one C(15), and one H(11) atom. The C(14)-C(15) bond length is 1.39 Å. The C(14)-H(11) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(14), one N(3), and one H(12) atom. The C(15)-N(3) bond length is 1.34 Å. The C(15)-H(12) bond length is 1.09 Å. P(1) is bonded in a distorted tetrahedral geometry to one Cu(1), one C(1), one C(11), and one C(6) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(2), one C(1), and one C(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(2), one C(10), and one C(6) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(2), one C(11), and one C(15) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(7) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(8) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(12) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(13) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(14) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(15) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 2-coordinate geometry to two equivalent Cu(1) atoms. In the second I site, I(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one Cu(2) atom. Linkers: 6 c1ccc(P(c2ccccn2)c2ccccn2)nc1. Metal clusters: 3 [Cu]I.[Cu]I.[Cu]I.[Cu]I. The MOF has largest included sphere 5.10 A, density 2.12 g/cm3, surface area 3096.61 m2/g, accessible volume 0.17 cm3/g