LiC17N4H13 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Li(1)-N(1) bond length is 2.01 Å. The Li(1)-N(2) bond length is 2.01 Å. The Li(1)-N(3) bond length is 2.04 Å. The Li(1)-N(4) bond length is 2.10 Å. There are seventeen inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(1) atom. The C(1)-N(1) bond length is 1.35 Å. The C(1)-N(2) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(3), one C(7), and one N(1) atom. The C(2)-C(3) bond length is 1.44 Å. The C(2)-C(7) bond length is 1.40 Å. The C(2)-N(1) bond length is 1.38 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(4), and one N(2) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-N(2) bond length is 1.38 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(2) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-H(2) 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 C(6), and one H(3) atom. The C(5)-C(6) bond length is 1.41 Å. The C(5)-H(3) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(5) and one H(4) atom. The C(6)-H(4) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(2) and one H(5) atom. 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 N(3) and one H(6) atom. The C(8)-N(3) bond length is 1.35 Å. The C(8)-H(6) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(10) and one H(7) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-H(7) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(11), one C(15), and one C(9) atom. The C(10)-C(11) bond length is 1.40 Å. The C(10)-C(15) bond length is 1.47 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(10), one C(12), and one H(8) atom. The C(11)-C(12) bond length is 1.39 Å. The C(11)-H(8) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one N(3), and one H(9) atom. The C(12)-N(3) bond length is 1.35 Å. The C(12)-H(9) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(14), one N(4), and one H(10) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-N(4) bond length is 1.35 Å. The C(13)-H(10) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13), one C(15), and one H(11) atom. The C(14)-C(15) bond length is 1.40 Å. The C(14)-H(11) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(16) atom. The C(15)-C(16) bond length is 1.40 Å. In the sixteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(15) and one H(12) atom. The C(16)-H(12) bond length is 1.09 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(13) atom. The C(17)-N(4) bond length is 1.35 Å. The C(17)-H(13) bond length is 1.09 Å. There are four inequivalent N sites. In the first N site, N(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one C(1), and one C(3) atom. In the second N site, N(3) is bonded in a trigonal planar geometry to one Li(1), one C(12), and one C(8) atom. In the third N site, N(4) is bonded in a trigonal planar geometry to one Li(1), one C(13), and one C(17) atom. In the fourth N site, N(1) is bonded in a distorted trigonal planar geometry to one Li(1), one C(1), and one C(2) atom. There are thirteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) 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(11) 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(16) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(17) atom. Linkers: 4 C1=Nc2ccccc2[N]1 ,4 c1cc(-c2ccncc2)ccn1. Metal clusters: 4 [Li]. The MOF has largest included sphere 3.22 A, density 1.23 g/cm3, surface area 5611.23 m2/g, accessible volume 0.16 cm3/g