KC22N9H12 is Indium-like structured and crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of four KC22N9H12 clusters. K(1) is bonded in a 6-coordinate geometry to one N(2), one N(4), one N(6), one N(7), one N(8), and one N(9) atom. The K(1)-N(2) bond length is 2.92 Å. The K(1)-N(4) bond length is 2.95 Å. The K(1)-N(6) bond length is 2.88 Å. The K(1)-N(7) bond length is 2.76 Å. The K(1)-N(8) bond length is 2.86 Å. The K(1)-N(9) bond length is 3.00 Å. There are twenty-two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(6) atom. The C(1)-C(3) bond length is 1.39 Å. The C(1)-C(5) bond length is 1.39 Å. The C(1)-C(6) bond length is 1.49 Å. In the second C site, C(2) is bonded in a 3-coordinate geometry to one C(3), one N(1), and one H(1) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-N(1) bond length is 1.34 Å. The C(2)-H(1) bond length is 0.89 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(2) atom. The C(3)-H(2) bond length is 0.94 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(3) atom. The C(4)-N(1) bond length is 1.34 Å. The C(4)-H(3) bond length is 0.99 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(1) and one H(4) atom. The C(5)-H(4) bond length is 0.95 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(1), one N(2), and one N(3) atom. The C(6)-N(2) bond length is 1.35 Å. The C(6)-N(3) bond length is 1.34 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(11), one C(12), and one C(9) atom. The C(7)-C(11) bond length is 1.39 Å. The C(7)-C(12) bond length is 1.50 Å. The C(7)-C(9) bond length is 1.39 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(5) atom. The C(8)-N(4) bond length is 1.34 Å. The C(8)-H(5) bond length is 0.95 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(7) and one H(6) atom. The C(9)-H(6) bond length is 0.97 Å. In the tenth C site, C(10) is bonded in a 2-coordinate geometry to one N(4) and one H(7) atom. The C(10)-N(4) bond length is 1.34 Å. The C(10)-H(7) bond length is 0.96 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(7) and one H(8) atom. The C(11)-H(8) bond length is 1.01 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(7), one N(5), and one N(6) atom. The C(12)-N(5) bond length is 1.34 Å. The C(12)-N(6) bond length is 1.34 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(15), one C(17), and one C(18) atom. The C(13)-C(15) bond length is 1.39 Å. The C(13)-C(17) bond length is 1.39 Å. The C(13)-C(18) bond length is 1.49 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal planar geometry to one N(7) and one H(9) atom. The C(14)-N(7) bond length is 1.33 Å. The C(14)-H(9) bond length is 0.99 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(13) and one H(10) atom. The C(15)-H(10) bond length is 0.89 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one N(7) and one H(11) atom. The C(16)-N(7) bond length is 1.34 Å. The C(16)-H(11) bond length is 0.91 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(13) and one H(12) atom. The C(17)-H(12) bond length is 1.00 Å. In the eighteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(13), one N(8), and one N(9) atom. The C(18)-N(8) bond length is 1.34 Å. The C(18)-N(9) bond length is 1.34 Å. In the nineteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(20), one N(2), and one N(9) atom. The C(19)-C(20) bond length is 1.40 Å. The C(19)-N(2) bond length is 1.35 Å. The C(19)-N(9) bond length is 1.36 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(21), and one C(22) atom. The C(20)-C(21) bond length is 1.40 Å. The C(20)-C(22) bond length is 1.40 Å. In the twenty-first C site, C(21) is bonded in a distorted trigonal planar geometry to one C(20), one N(3), and one N(5) atom. The C(21)-N(3) bond length is 1.36 Å. The C(21)-N(5) bond length is 1.36 Å. In the twenty-second C site, C(22) is bonded in a distorted trigonal planar geometry to one C(20), one N(6), and one N(8) atom. The C(22)-N(6) bond length is 1.35 Å. The C(22)-N(8) bond length is 1.35 Å. There are nine inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one C(2) and one C(4) atom. In the second N site, N(2) is bonded in a distorted bent 120 degrees geometry to one K(1), one C(19), and one C(6) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one C(21) and one C(6) atom. In the fourth N site, N(4) is bonded in a distorted bent 120 degrees geometry to one K(1), one C(10), and one C(8) atom. In the fifth N site, N(5) is bonded in a bent 120 degrees geometry to one C(12) and one C(21) atom. In the sixth N site, N(6) is bonded in a distorted bent 120 degrees geometry to one K(1), one C(12), and one C(22) atom. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one K(1), one C(14), and one C(16) atom. In the eighth N site, N(8) is bonded in a distorted bent 120 degrees geometry to one K(1), one C(18), and one C(22) atom. In the ninth N site, N(9) is bonded in a bent 120 degrees geometry to one K(1), one C(18), and one C(19) 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(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(10) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(11) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(14) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(15) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(16) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(17) atom. Linkers: 1 n1ccc(cc1)C1=NC2=NC(=NC3=[N]=C(N=C([N]1)[C]23)c1ccncc1)c1ccncc1 ,1 n1ccc(cc1)C1=NC2=[N]=C(N=C3[C]2C(=NC(=N3)c2ccncc2)[N]1)c1ccncc1 ,2 n1ccc(cc1)C1=NC2=NC(=NC3=NC(=[N]=C([N]1)[C]23)c1ccncc1)c1ccncc1 ,1 n1ccc(cc1)C1=NC2=[N]=C([N]C3=NC(=[N]=C([N]1)[C]23)c1ccncc1)c1ccncc1 ,1 n1ccc(cc1)C1=NC2=[N]=C([N]C3=[N]=C(N=C([N]1)[C]23)c1ccncc1)c1ccncc1 ,1 n1ccc(cc1)C1=NC2=NC(=NC3=[N]=C([N]C(=N1)[C]23)c1ccncc1)c1ccncc1 ,1 n1ccc(cc1)C1=NC2=NC(=[N]=C3[C]2C(=[N]=C([N]3)c2ccncc2)[N]1)c1ccncc1. Metal clusters: 8 [H].[K]. The MOF has largest included sphere 5.41 A, density 1.40 g/cm3, surface area 3990.96 m2/g, accessible volume 0.18 cm3/g