Rb2C12N18H6O crystallizes in the triclinic P-1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one N(13), one N(17), one N(18), one N(9), two equivalent N(16), and one O(1) atom. The Rb(1)-N(13) bond length is 3.11 Å. The Rb(1)-N(17) bond length is 3.19 Å. The Rb(1)-N(18) bond length is 3.38 Å. The Rb(1)-N(9) bond length is 3.22 Å. There is one shorter (2.95 Å) and one longer (3.03 Å) Rb(1)-N(16) bond length. The Rb(1)-O(1) bond length is 2.87 Å. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one N(10), one N(14), one N(17), one N(18), two equivalent N(15), and one O(1) atom. The Rb(2)-N(10) bond length is 3.22 Å. The Rb(2)-N(14) bond length is 3.11 Å. The Rb(2)-N(17) bond length is 3.38 Å. The Rb(2)-N(18) bond length is 3.19 Å. There is one shorter (2.95 Å) and one longer (3.03 Å) Rb(2)-N(15) bond length. The Rb(2)-O(1) bond length is 2.87 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1,2); one N(5); and one N(7,8) atom. The C(1)-N(1,2) bond length is 1.36 Å. The C(1)-N(5) bond length is 1.36 Å. The C(1)-N(7,8) bond length is 1.31 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(1,2); one N(6); and one N(7,8) atom. The C(2)-N(1,2) bond length is 1.36 Å. The C(2)-N(6) bond length is 1.36 Å. The C(2)-N(7,8) bond length is 1.31 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(1,2); one N(3); and one N(9) atom. The C(3)-N(1,2) bond length is 1.39 Å. The C(3)-N(3) bond length is 1.35 Å. The C(3)-N(9) bond length is 1.33 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(1,2); one N(10); and one N(4) atom. The C(4)-N(1,2) bond length is 1.39 Å. The C(4)-N(10) bond length is 1.33 Å. The C(4)-N(4) bond length is 1.35 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one N(11), one N(3), and one N(5) atom. The C(5)-N(11) bond length is 1.34 Å. The C(5)-N(3) bond length is 1.33 Å. The C(5)-N(5) bond length is 1.38 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one N(12), one N(4), and one N(6) atom. The C(6)-N(12) bond length is 1.34 Å. The C(6)-N(4) bond length is 1.33 Å. The C(6)-N(6) bond length is 1.38 Å. In the seventh C site, C(7) is bonded in a linear geometry to one N(13) and one N(7,8) atom. The C(7)-N(13) bond length is 1.18 Å. The C(7)-N(7,8) bond length is 1.30 Å. In the eighth C site, C(8) is bonded in a linear geometry to one N(14) and one N(7,8) atom. The C(8)-N(14) bond length is 1.18 Å. The C(8)-N(7,8) bond length is 1.30 Å. In the ninth C site, C(9) is bonded in a linear geometry to one N(15) and one N(9) atom. The C(9)-N(15) bond length is 1.18 Å. The C(9)-N(9) bond length is 1.31 Å. In the tenth C site, C(10) is bonded in a linear geometry to one N(10) and one N(16) atom. The C(10)-N(10) bond length is 1.31 Å. The C(10)-N(16) bond length is 1.18 Å. In the eleventh C site, C(11) is bonded in a linear geometry to one N(11) and one N(17) atom. The C(11)-N(11) bond length is 1.31 Å. The C(11)-N(17) bond length is 1.18 Å. In the twelfth C site, C(12) is bonded in a linear geometry to one N(12) and one N(18) atom. The C(12)-N(12) bond length is 1.31 Å. The C(12)-N(18) bond length is 1.18 Å. There are sixteen inequivalent N sites. In the first N site, N(1,2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one H(1) atom. The N(1,2)-H(1) bond length is 1.06 Å. In the second N site, N(3) is bonded in a bent 120 degrees geometry to one C(3) and one C(5) atom. In the third N site, N(4) is bonded in a bent 120 degrees geometry to one C(4) and one C(6) atom. In the fourth N site, N(5) is bonded in a trigonal planar geometry to one C(1), one C(5), and one H(3) atom. The N(5)-H(3) bond length is 1.05 Å. In the fifth N site, N(6) is bonded in a trigonal planar geometry to one C(2), one C(6), and one H(4) atom. The N(6)-H(4) bond length is 1.05 Å. In the sixth N site, N(7,8) is bonded in a bent 120 degrees geometry to one C(1) and one C(7) atom. In the seventh N site, N(9) is bonded in a bent 120 degrees geometry to one Rb(1), one C(3), and one C(9) atom. In the eighth N site, N(10) is bonded in a bent 120 degrees geometry to one Rb(2), one C(10), and one C(4) atom. In the ninth N site, N(11) is bonded in a distorted bent 120 degrees geometry to one C(11), one C(5), and one H(3) atom. The N(11)-H(3) bond length is 1.77 Å. In the tenth N site, N(12) is bonded in a distorted bent 120 degrees geometry to one C(12) and one C(6) atom. In the eleventh N site, N(13) is bonded in a 3-coordinate geometry to one Rb(1), one C(7), and one H(1) atom. The N(13)-H(1) bond length is 1.73 Å. In the twelfth N site, N(14) is bonded in a 3-coordinate geometry to one Rb(2), one C(8), and one H(2) atom. The N(14)-H(2) bond length is 1.73 Å. In the thirteenth N site, N(15) is bonded in a distorted single-bond geometry to two equivalent Rb(2) and one C(9) atom. In the fourteenth N site, N(16) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one C(10) atom. In the fifteenth N site, N(17) is bonded in a single-bond geometry to one Rb(1), one Rb(2), and one C(11) atom. In the sixteenth N site, N(18) is bonded in a single-bond geometry to one Rb(1), one Rb(2), and one C(12) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one N(1,2) and one N(13) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one N(1,2) and one N(14) atom. The H(2)-N(1,2) bond length is 1.06 Å. In the third H site, H(3) is bonded in a single-bond geometry to one N(11) and one N(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(1) atom. The H(5)-O(1) bond length is 0.99 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(1) atom. The H(6)-O(1) bond length is 0.99 Å. O(1) is bonded in a water-like geometry to one Rb(1), one Rb(2), one H(5), and one H(6) atom. Linkers: 4 N#C[N]C1=[N]=C(NC(=NC#N)N1)[N]C#N ,2 O. Metal clusters: 4 [Rb]. The MOF has largest included sphere 2.24 A, density 1.88 g/cm3, surface area 3873.82 m2/g, accessible volume 0.09 cm3/g