TlBH20(C2N)8 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one TlBH20(C2N)8 cluster. Tl(1) is bonded in a 2-coordinate geometry to one N(1) and one N(7) atom. The Tl(1)-N(1) bond length is 2.74 Å. The Tl(1)-N(7) bond length is 2.81 Å. B(1) is bonded in a tetrahedral geometry to one N(2), one N(3), one N(5), and one N(6) atom. The B(1)-N(2) bond length is 1.55 Å. The B(1)-N(3) bond length is 1.55 Å. The B(1)-N(5) bond length is 1.54 Å. The B(1)-N(6) bond length is 1.55 Å. There are sixteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(3), one N(2), and one H(16) atom. The C(1)-C(3) bond length is 1.38 Å. The C(1)-N(2) bond length is 1.39 Å. The C(1)-H(16) bond length is 1.08 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(13) atom. The C(2)-N(1) bond length is 1.33 Å. The C(2)-N(2) bond length is 1.36 Å. The C(2)-H(13) bond length is 1.08 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(1), one C(4), and one N(1) atom. The C(3)-C(4) bond length is 1.49 Å. The C(3)-N(1) bond length is 1.38 Å. In the fourth C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one C(3), one H(15), one H(17), and one H(19) atom. The C(4)-H(15) bond length is 1.10 Å. The C(4)-H(17) bond length is 1.10 Å. The C(4)-H(19) bond length is 1.10 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(1) atom. The C(5)-N(3) bond length is 1.37 Å. The C(5)-N(4) bond length is 1.33 Å. The C(5)-H(1) bond length is 1.08 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(7), one N(3), and one H(9) atom. The C(6)-C(7) bond length is 1.38 Å. The C(6)-N(3) bond length is 1.39 Å. The C(6)-H(9) bond length is 1.08 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(15), one C(6), and one N(4) atom. The C(7)-C(15) bond length is 1.49 Å. The C(7)-N(4) bond length is 1.38 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one N(5), one N(7), and one H(8) atom. The C(8)-N(5) bond length is 1.36 Å. The C(8)-N(7) bond length is 1.33 Å. The C(8)-H(8) bond length is 1.08 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one N(6), one N(8), and one H(11) atom. The C(9)-N(6) bond length is 1.37 Å. The C(9)-N(8) bond length is 1.33 Å. The C(9)-H(11) 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(12), one N(6), and one H(10) atom. The C(10)-C(12) bond length is 1.38 Å. The C(10)-N(6) bond length is 1.39 Å. The C(10)-H(10) bond length is 1.08 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(13), one N(5), and one H(5) atom. The C(11)-C(13) bond length is 1.38 Å. The C(11)-N(5) bond length is 1.39 Å. The C(11)-H(5) bond length is 1.08 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(10), one C(14), and one N(8) atom. The C(12)-C(14) bond length is 1.49 Å. The C(12)-N(8) bond length is 1.38 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(11), one C(16), and one N(7) atom. The C(13)-C(16) bond length is 1.49 Å. The C(13)-N(7) bond length is 1.39 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal non-coplanar geometry to one C(12), one H(2), one H(3), and one H(4) atom. The C(14)-H(2) bond length is 1.10 Å. The C(14)-H(3) bond length is 1.10 Å. The C(14)-H(4) bond length is 1.10 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal non-coplanar geometry to one C(7), one H(12), one H(14), and one H(7) atom. The C(15)-H(12) bond length is 1.10 Å. The C(15)-H(14) bond length is 1.09 Å. The C(15)-H(7) bond length is 1.10 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal non-coplanar geometry to one C(13), one H(18), one H(20), and one H(6) atom. The C(16)-H(18) bond length is 1.09 Å. The C(16)-H(20) bond length is 1.10 Å. The C(16)-H(6) bond length is 1.10 Å. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a distorted water-like geometry to one Tl(1), one C(2), and one C(3) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one B(1), one C(1), and one C(2) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one B(1), one C(5), and one C(6) atom. In the fourth N site, N(4) is bonded in a water-like geometry to one C(5) and one C(7) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one B(1), one C(11), and one C(8) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one B(1), one C(10), and one C(9) atom. In the seventh N site, N(7) is bonded in a water-like geometry to one Tl(1), one C(13), and one C(8) atom. In the eighth N site, N(8) is bonded in a water-like geometry to one C(12) and one C(9) atom. There are twenty 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(14) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(14) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(14) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(11) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(16) 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(8) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(6) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(10) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(9) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(15) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(2) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(15) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(4) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(1) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(4) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(16) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(4) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(16) atom. Linkers: 1 Cc1ncn(c1)[B](n1cnc(c1)C)(n1cnc(c1)C)n1cnc(c1)C. Metal clusters: . The MOF has largest included sphere 2.30 A, density 1.88 g/cm3, surface area 3981.52 m2/g, accessible volume 0.11 cm3/g