Li2C6N9H2Cl crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one N(12), one N(3), one H(1), one H(2), one Cl(1), and one Cl(2) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one N(5), one N(7), one H(3), one H(4), one Cl(1), and one Cl(2) atom. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one N(10), one N(15), one Cl(1), and one Cl(2) atom. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one N(17), one N(8), one Cl(1), and one Cl(2) atom. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(13), and one N(2) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(14), one N(2), and one N(3) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(1), one N(15), and one N(3) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(16), one N(4), and one N(5) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one N(17), one N(5), and one N(6) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one N(18), one N(4), and one N(6) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one N(17), one N(7), and one N(8) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one N(16), one N(8), and one N(9) atom. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one N(18), one N(7), and one N(9) atom. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one N(10), one N(11), and one N(14) atom. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one N(11), one N(12), and one N(13) atom. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one N(10), one N(12), and one N(15) atom. There are eighteen inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one C(1) and one C(3) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Li(1), one C(2), and one C(3) atom. In the fourth N site, N(4) is bonded in a bent 120 degrees geometry to one C(4) and one C(6) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Li(2), one C(4), and one C(5) atom. In the sixth N site, N(6) is bonded in a bent 120 degrees geometry to one C(5) and one C(6) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Li(2), one C(7), and one C(9) atom. In the eighth N site, N(8) is bonded in a distorted T-shaped geometry to one Li(4), one C(7), and one C(8) atom. In the ninth N site, N(9) is bonded in a bent 120 degrees geometry to one C(8) and one C(9) atom. In the tenth N site, N(10) is bonded in a distorted T-shaped geometry to one Li(3), one C(10), and one C(12) atom. In the eleventh N site, N(11) is bonded in a bent 120 degrees geometry to one C(10) and one C(11) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one Li(1), one C(11), and one C(12) atom. In the thirteenth N site, N(13) is bonded in a distorted trigonal planar geometry to one C(1), one C(11), and one H(2) atom. In the fourteenth N site, N(14) is bonded in a distorted trigonal planar geometry to one C(10), one C(2), and one H(1) atom. In the fifteenth N site, N(15) is bonded in a distorted trigonal planar geometry to one Li(3), one C(12), and one C(3) atom. In the sixteenth N site, N(16) is bonded in a distorted trigonal planar geometry to one C(4), one C(8), and one H(4) atom. In the seventeenth N site, N(17) is bonded in a distorted T-shaped geometry to one Li(4), one C(5), and one C(7) atom. In the eighteenth N site, N(18) is bonded in a distorted trigonal planar geometry to one C(6), one C(9), and one H(3) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Li(1) and one N(14) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Li(1) and one N(13) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Li(2) and one N(18) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Li(2) and one N(16) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Li(4) atom. In the second Cl site, Cl(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Li(4) atom.
Li2C6N9H2Cl crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one N(12), one N(3), one H(1), one H(2), one Cl(1), and one Cl(2) atom. The Li(1)-N(12) bond length is 1.97 Å. The Li(1)-N(3) bond length is 1.98 Å. The Li(1)-H(1) bond length is 2.34 Å. The Li(1)-H(2) bond length is 2.26 Å. The Li(1)-Cl(1) bond length is 2.47 Å. The Li(1)-Cl(2) bond length is 2.47 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one N(5), one N(7), one H(3), one H(4), one Cl(1), and one Cl(2) atom. The Li(2)-N(5) bond length is 2.00 Å. The Li(2)-N(7) bond length is 1.97 Å. The Li(2)-H(3) bond length is 2.31 Å. The Li(2)-H(4) bond length is 2.30 Å. The Li(2)-Cl(1) bond length is 2.50 Å. The Li(2)-Cl(2) bond length is 2.49 Å. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one N(10), one N(15), one Cl(1), and one Cl(2) atom. The Li(3)-N(10) bond length is 2.14 Å. The Li(3)-N(15) bond length is 2.06 Å. The Li(3)-Cl(1) bond length is 2.55 Å. The Li(3)-Cl(2) bond length is 2.58 Å. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one N(17), one N(8), one Cl(1), and one Cl(2) atom. The Li(4)-N(17) bond length is 2.09 Å. The Li(4)-N(8) bond length is 2.11 Å. The Li(4)-Cl(1) bond length is 2.57 Å. The Li(4)-Cl(2) bond length is 2.54 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(13), and one N(2) atom. The C(1)-N(1) bond length is 1.32 Å. The C(1)-N(13) bond length is 1.38 Å. The C(1)-N(2) bond length is 1.36 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(14), one N(2), and one N(3) atom. The C(2)-N(14) bond length is 1.39 Å. The C(2)-N(2) bond length is 1.33 Å. The C(2)-N(3) bond length is 1.36 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(1), one N(15), and one N(3) atom. The C(3)-N(1) bond length is 1.36 Å. The C(3)-N(15) bond length is 1.35 Å. The C(3)-N(3) bond length is 1.37 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(16), one N(4), and one N(5) atom. The C(4)-N(16) bond length is 1.38 Å. The C(4)-N(4) bond length is 1.33 Å. The C(4)-N(5) bond length is 1.36 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one N(17), one N(5), and one N(6) atom. The C(5)-N(17) bond length is 1.35 Å. The C(5)-N(5) bond length is 1.37 Å. The C(5)-N(6) bond length is 1.37 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one N(18), one N(4), and one N(6) atom. The C(6)-N(18) bond length is 1.39 Å. The C(6)-N(4) bond length is 1.36 Å. The C(6)-N(6) bond length is 1.32 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one N(17), one N(7), and one N(8) atom. The C(7)-N(17) bond length is 1.35 Å. The C(7)-N(7) bond length is 1.36 Å. The C(7)-N(8) bond length is 1.38 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one N(16), one N(8), and one N(9) atom. The C(8)-N(16) bond length is 1.38 Å. The C(8)-N(8) bond length is 1.33 Å. The C(8)-N(9) bond length is 1.35 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one N(18), one N(7), and one N(9) atom. The C(9)-N(18) bond length is 1.38 Å. The C(9)-N(7) bond length is 1.36 Å. The C(9)-N(9) bond length is 1.32 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one N(10), one N(11), and one N(14) atom. The C(10)-N(10) bond length is 1.32 Å. The C(10)-N(11) bond length is 1.36 Å. The C(10)-N(14) bond length is 1.39 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one N(11), one N(12), and one N(13) atom. The C(11)-N(11) bond length is 1.33 Å. The C(11)-N(12) bond length is 1.36 Å. The C(11)-N(13) bond length is 1.38 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one N(10), one N(12), and one N(15) atom. The C(12)-N(10) bond length is 1.38 Å. The C(12)-N(12) bond length is 1.35 Å. The C(12)-N(15) bond length is 1.34 Å. There are eighteen inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one C(1) and one C(3) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Li(1), one C(2), and one C(3) atom. In the fourth N site, N(4) is bonded in a bent 120 degrees geometry to one C(4) and one C(6) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Li(2), one C(4), and one C(5) atom. In the sixth N site, N(6) is bonded in a bent 120 degrees geometry to one C(5) and one C(6) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Li(2), one C(7), and one C(9) atom. In the eighth N site, N(8) is bonded in a distorted T-shaped geometry to one Li(4), one C(7), and one C(8) atom. In the ninth N site, N(9) is bonded in a bent 120 degrees geometry to one C(8) and one C(9) atom. In the tenth N site, N(10) is bonded in a distorted T-shaped geometry to one Li(3), one C(10), and one C(12) atom. In the eleventh N site, N(11) is bonded in a bent 120 degrees geometry to one C(10) and one C(11) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one Li(1), one C(11), and one C(12) atom. In the thirteenth N site, N(13) is bonded in a distorted trigonal planar geometry to one C(1), one C(11), and one H(2) atom. The N(13)-H(2) bond length is 1.02 Å. In the fourteenth N site, N(14) is bonded in a distorted trigonal planar geometry to one C(10), one C(2), and one H(1) atom. The N(14)-H(1) bond length is 1.02 Å. In the fifteenth N site, N(15) is bonded in a distorted trigonal planar geometry to one Li(3), one C(12), and one C(3) atom. In the sixteenth N site, N(16) is bonded in a distorted trigonal planar geometry to one C(4), one C(8), and one H(4) atom. The N(16)-H(4) bond length is 1.02 Å. In the seventeenth N site, N(17) is bonded in a distorted T-shaped geometry to one Li(4), one C(5), and one C(7) atom. In the eighteenth N site, N(18) is bonded in a distorted trigonal planar geometry to one C(6), one C(9), and one H(3) atom. The N(18)-H(3) bond length is 1.02 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Li(1) and one N(14) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Li(1) and one N(13) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Li(2) and one N(18) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Li(2) and one N(16) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Li(4) atom. In the second Cl site, Cl(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Li(4) atom.