CoC42H24(N3Cl)2 crystallizes in the trigonal R-3 space group. Co(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. Both Co(1)-N(1) bond lengths are 2.00 Å. Both Co(1)-N(2) bond lengths are 1.99 Å. Both Co(1)-N(3) bond lengths are 2.27 Å. There are twenty-one inequivalent C sites. In the first C site, C(7) is bonded in a distorted single-bond geometry to one C(2), one C(5), and one H(2) atom. The C(7)-C(2) bond length is 1.44 Å. The C(7)-C(5) bond length is 1.36 Å. The C(7)-H(2) bond length is 1.08 Å. In the second C site, C(8) is bonded in a trigonal planar geometry to one C(12), one C(2), and one C(3) atom. The C(8)-C(12) bond length is 1.49 Å. The C(8)-C(2) bond length is 1.40 Å. The C(8)-C(3) bond length is 1.40 Å. In the third C site, C(9) is bonded in a distorted single-bond geometry to one C(10), one C(3), and one H(3) atom. The C(9)-C(10) bond length is 1.36 Å. The C(9)-C(3) bond length is 1.44 Å. The C(9)-H(3) bond length is 1.08 Å. In the fourth C site, C(10) is bonded in a distorted single-bond geometry to one C(4), one C(9), and one H(4) atom. The C(10)-C(4) bond length is 1.44 Å. The C(10)-H(4) bond length is 1.08 Å. In the fifth C site, C(11) is bonded in a trigonal planar geometry to one C(13), one C(14), and one C(6) atom. The C(11)-C(13) bond length is 1.40 Å. The C(11)-C(14) bond length is 1.40 Å. The C(11)-C(6) bond length is 1.49 Å. In the sixth C site, C(12) is bonded in a trigonal planar geometry to one C(15), one C(16), and one C(8) atom. The C(12)-C(15) bond length is 1.40 Å. The C(12)-C(16) bond length is 1.40 Å. In the seventh C site, C(13) is bonded in a distorted trigonal planar geometry to one C(11), one C(17), and one H(5) atom. The C(13)-C(17) bond length is 1.39 Å. The C(13)-H(5) bond length is 1.09 Å. In the eighth C site, C(14) is bonded in a distorted single-bond geometry to one C(11), one C(18), and one H(6) atom. The C(14)-C(18) bond length is 1.39 Å. The C(14)-H(6) bond length is 1.09 Å. In the ninth C site, C(15) is bonded in a distorted single-bond geometry to one C(12), one C(19), and one H(7) atom. The C(15)-C(19) bond length is 1.39 Å. The C(15)-H(7) bond length is 1.09 Å. In the tenth C site, C(16) is bonded in a distorted single-bond geometry to one C(12) and one H(8) atom. The C(16)-H(8) bond length is 1.09 Å. In the eleventh C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(13), one N(3), and one H(9) atom. The C(17)-N(3) bond length is 1.34 Å. The C(17)-H(9) bond length is 1.09 Å. In the twelfth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(14), one N(3), and one H(10) atom. The C(18)-N(3) bond length is 1.34 Å. The C(18)-H(10) bond length is 1.09 Å. In the thirteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(15), one C(21), and one H(11) atom. The C(19)-C(21) bond length is 1.40 Å. The C(19)-H(11) bond length is 1.09 Å. In the fourteenth C site, C(20) is bonded in a distorted single-bond geometry to one C(21) and one H(12) atom. The C(20)-C(21) bond length is 1.40 Å. The C(20)-H(12) bond length is 1.09 Å. In the fifteenth C site, C(21) is bonded in a trigonal planar geometry to one C(19), one C(20), and one Cl(1) atom. The C(21)-Cl(1) bond length is 1.73 Å. In the sixteenth C site, C(1) is bonded in a distorted single-bond geometry to one C(5), one C(6), and one N(1) atom. The C(1)-C(5) bond length is 1.44 Å. The C(1)-C(6) bond length is 1.39 Å. The C(1)-N(1) bond length is 1.38 Å. In the seventeenth C site, C(2) is bonded in a distorted single-bond geometry to one C(7), one C(8), and one N(1) atom. The C(2)-N(1) bond length is 1.38 Å. In the eighteenth C site, C(3) is bonded in a distorted single-bond geometry to one C(8), one C(9), and one N(2) atom. The C(3)-N(2) bond length is 1.39 Å. In the nineteenth C site, C(4) is bonded in a distorted single-bond geometry to one C(10), one C(6), and one N(2) atom. The C(4)-C(6) bond length is 1.39 Å. The C(4)-N(2) bond length is 1.38 Å. In the twentieth C site, C(5) is bonded in a distorted single-bond geometry to one C(1), one C(7), and one H(1) atom. The C(5)-H(1) bond length is 1.09 Å. In the twenty-first C site, C(6) is bonded in a trigonal planar geometry to one C(1), one C(11), and one C(4) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Co(1), one C(1), and one C(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Co(1), one C(3), and one C(4) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Co(1), one C(17), and one C(18) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(10) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(15) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(16) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(17) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(18) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(19) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(20) atom. Cl(1) is bonded in a single-bond geometry to one C(21) atom. Linkers: 2 [C]/C1=C2\[C]=C/C(=C(\c3ccncc3)C3=N/C(=C(/c4ccc(Cl)cc4)C4=CC=C([N]4)/C(c4ccncc4)=C4/C=CC1=N4)C=C3)[N]2 ,3 Clc1ccc(/C2=C3\C=C/C(=C(\c4ccncc4)C4=N/C(=C(/c5ccc(Cl)cc5)C5=CC=C([N]5)/C(c5ccncc5)=C5/C=CC2=N5)C=C4)[N]3)cc1 ,2 [CH]=[C]/C1=C2\C=CC(=N2)/C(c2ccncc2)=C2/C=C/C(=C(\c3ccc(Cl)cc3)C3=N/C(=C(/c4ccncc4)C4=CC=C1[N]4)C=C3)[N]2. Metal clusters: 3 [Co]. The MOF has largest included sphere 5.49 A, density 1.29 g/cm3, surface area 4506.56 m2/g, accessible volume 0.29 cm3/g