RbC3H4(N3O)3 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 8-coordinate geometry to one N(11), one N(14), one N(16), one N(17), one N(6), one H(6), and two equivalent O(1) atoms. The Rb(1)-N(11) bond length is 3.21 Å. The Rb(1)-N(14) bond length is 2.94 Å. The Rb(1)-N(16) bond length is 3.08 Å. The Rb(1)-N(17) bond length is 3.00 Å. The Rb(1)-N(6) bond length is 3.30 Å. The Rb(1)-H(6) bond length is 2.91 Å. There is one shorter (2.93 Å) and one longer (3.02 Å) Rb(1)-O(1) bond length. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to one N(12), one N(5), one O(2), one O(6), and two equivalent O(4) atoms. The Rb(2)-N(12) bond length is 3.15 Å. The Rb(2)-N(5) bond length is 3.04 Å. The Rb(2)-O(2) bond length is 3.09 Å. The Rb(2)-O(6) bond length is 2.93 Å. There is one shorter (2.92 Å) and one longer (2.96 Å) Rb(2)-O(4) bond length. There are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one C(2), one N(3), one H(1), and one H(2) atom. The C(1)-C(2) bond length is 1.49 Å. The C(1)-N(3) bond length is 1.47 Å. The C(1)-H(1) bond length is 1.10 Å. The C(1)-H(2) bond length is 1.10 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one N(4), and one N(8) atom. The C(2)-N(4) bond length is 1.35 Å. The C(2)-N(8) bond length is 1.35 Å. In the third C site, C(3) is bonded in a distorted tetrahedral geometry to one C(5), one N(2), one H(3), and one H(4) atom. The C(3)-C(5) bond length is 1.48 Å. The C(3)-N(2) bond length is 1.47 Å. The C(3)-H(3) bond length is 1.10 Å. The C(3)-H(4) bond length is 1.10 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(10), one N(12), and one N(7) atom. The C(4)-N(10) bond length is 1.44 Å. The C(4)-N(12) bond length is 1.35 Å. The C(4)-N(7) bond length is 1.33 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one N(17) atom. The C(5)-N(1) bond length is 1.34 Å. The C(5)-N(17) bond length is 1.34 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one N(18), one N(5), and one N(6) atom. The C(6)-N(18) bond length is 1.44 Å. The C(6)-N(5) bond length is 1.33 Å. The C(6)-N(6) bond length is 1.35 Å. There are eighteen inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one C(5), one N(16), and one H(6) atom. The N(1)-N(16) bond length is 1.35 Å. The N(1)-H(6) bond length is 1.76 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one C(3), one N(15), and one N(7) atom. The N(2)-N(15) bond length is 1.35 Å. The N(2)-N(7) bond length is 1.32 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one C(1), one N(11), and one N(5) atom. The N(3)-N(11) bond length is 1.34 Å. The N(3)-N(5) bond length is 1.32 Å. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one C(2) and one N(13) atom. The N(4)-N(13) bond length is 1.35 Å. In the fifth N site, N(5) is bonded in a distorted single-bond geometry to one Rb(2), one C(6), and one N(3) atom. In the sixth N site, N(6) is bonded in a distorted single-bond geometry to one Rb(1), one C(6), and one N(11) atom. The N(6)-N(11) bond length is 1.32 Å. In the seventh N site, N(7) is bonded in a distorted water-like geometry to one C(4) and one N(2) atom. In the eighth N site, N(8) is bonded in a distorted single-bond geometry to one C(2) and one N(9) atom. The N(8)-N(9) bond length is 1.34 Å. In the ninth N site, N(9) is bonded in a water-like geometry to one N(13) and one N(8) atom. The N(9)-N(13) bond length is 1.32 Å. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one C(4), one O(5), and one O(6) atom. The N(10)-O(5) bond length is 1.24 Å. The N(10)-O(6) bond length is 1.24 Å. In the eleventh N site, N(11) is bonded in a distorted trigonal non-coplanar geometry to one Rb(1), one N(3), and one N(6) atom. In the twelfth N site, N(12) is bonded in a distorted single-bond geometry to one Rb(2), one C(4), and one N(15) atom. The N(12)-N(15) bond length is 1.31 Å. In the thirteenth N site, N(13) is bonded in a distorted water-like geometry to one N(4) and one N(9) atom. In the fourteenth N site, N(14) is bonded in a distorted trigonal non-coplanar geometry to one Rb(1), one N(16), and one N(17) atom. The N(14)-N(16) bond length is 1.33 Å. The N(14)-N(17) bond length is 1.34 Å. In the fifteenth N site, N(15) is bonded in a water-like geometry to one N(12) and one N(2) atom. In the sixteenth N site, N(16) is bonded in a 3-coordinate geometry to one Rb(1), one N(1), and one N(14) atom. In the seventeenth N site, N(17) is bonded in a distorted single-bond geometry to one Rb(1), one C(5), and one N(14) atom. In the eighteenth N site, N(18) is bonded in a trigonal planar geometry to one C(6), one O(2), and one O(3) atom. The N(18)-O(2) bond length is 1.24 Å. The N(18)-O(3) bond length is 1.24 Å. There are eight 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(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(3) 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 Rb(1), one N(1), and one O(1) atom. The H(6)-O(1) bond length is 1.00 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(4) atom. The H(7)-O(4) bond length is 0.99 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(4) atom. The H(8)-O(4) bond length is 0.99 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to two equivalent Rb(1), one H(5), and one H(6) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Rb(2) and one N(18) atom. In the third O site, O(3) is bonded in a single-bond geometry to one N(18) atom. In the fourth O site, O(4) is bonded in a water-like geometry to two equivalent Rb(2), one H(7), and one H(8) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one N(10) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Rb(2) and one N(10) atom. Linkers: 3 O=[N+]([O-])c1nnn(CC2=NN=N[N]2)n1 ,1 O=[N+]([O-])C1=N[N]N(CC2=NN=N[N]2)[N]1. Metal clusters: 4 [Rb]. The MOF has largest included sphere 1.88 A, density 2.05 g/cm3, surface area 3844.67 m2/g, accessible volume 0.08 cm3/g