CdH33(C11N4)3 crystallizes in the trigonal R-3 space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in an octahedral geometry to six equivalent N(2) atoms. All Cd(1)-N(2) bond lengths are 2.36 Å. In the second Cd site, Cd(2) is bonded in an octahedral geometry to six equivalent N(4) atoms. All Cd(2)-N(4) bond lengths are 2.36 Å. There are eleven inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(4) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-C(3) bond length is 1.39 Å. The C(1)-C(4) bond length is 1.52 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(8) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-C(8) bond length is 1.52 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(1), one C(2), and one H(1) atom. The C(3)-H(1) bond length is 0.95 Å. In the fourth C site, C(4) is bonded in a 3-coordinate geometry to one C(1); one N(1); and two equivalent H(2,3) atoms. The C(4)-N(1) bond length is 1.47 Å. Both C(4)-H(2,3) bond lengths are 0.99 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(4) atom. The C(5)-N(1) bond length is 1.35 Å. The C(5)-N(2) bond length is 1.31 Å. The C(5)-H(4) bond length is 0.95 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(5) atom. The C(6)-N(2) bond length is 1.38 Å. The C(6)-H(5) bond length is 0.95 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(6) atom. The C(7)-N(1) bond length is 1.37 Å. The C(7)-H(6) bond length is 0.95 Å. In the eighth C site, C(8) is bonded in a 3-coordinate geometry to one C(2), one N(3), one H(7), and one H(8) atom. The C(8)-N(3) bond length is 1.47 Å. The C(8)-H(7) bond length is 0.99 Å. The C(8)-H(8) bond length is 0.99 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(9) atom. The C(9)-N(3) bond length is 1.35 Å. The C(9)-N(4) bond length is 1.31 Å. The C(9)-H(9) bond length is 0.95 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(11), one N(4), and one H(10) atom. The C(10)-C(11) bond length is 1.35 Å. The C(10)-N(4) bond length is 1.38 Å. The C(10)-H(10) bond length is 0.95 Å. In the eleventh C site, C(11) is bonded in a 3-coordinate geometry to one C(10), one N(3), and one H(11) atom. The C(11)-N(3) bond length is 1.37 Å. The C(11)-H(11) bond length is 0.95 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(4), one C(5), and one C(7) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(5), and one C(6) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(11), one C(8), and one C(9) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(10), and one C(9) atom. There are ten inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2,3) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(8) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(8) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(10) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(11) atom. Linkers: 9 c1cn(Cc2cc(Cn3ccnc3)c(Cn3ccnc3)cc2Cn2ccnc2)cn1. Metal clusters: 6 [Cd]. The MOF has largest included sphere 4.21 A, density 1.17 g/cm3, surface area 5041.04 m2/g, accessible volume 0.42 cm3/g