RbCN3H4 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 16-coordinate geometry to one C(1), one N(1), six equivalent N(2), four equivalent H(1), and four equivalent H(2) atoms. C(1) is bonded in a trigonal planar geometry to one Rb(1), one N(1), and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Rb(1), one C(1), and two equivalent H(1) atoms. In the second N site, N(2) is bonded in a water-like geometry to three equivalent Rb(1), one C(1), and one H(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to two equivalent Rb(1) and one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent Rb(1) and one N(2) atom.
RbCN3H4 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 16-coordinate geometry to one C(1), one N(1), six equivalent N(2), four equivalent H(1), and four equivalent H(2) atoms. The Rb(1)-C(1) bond length is 3.12 Å. The Rb(1)-N(1) bond length is 3.09 Å. There are a spread of Rb(1)-N(2) bond distances ranging from 3.16-3.38 Å. There are two shorter (2.97 Å) and two longer (3.14 Å) Rb(1)-H(1) bond lengths. There are two shorter (3.14 Å) and two longer (3.19 Å) Rb(1)-H(2) bond lengths. C(1) is bonded in a trigonal planar geometry to one Rb(1), one N(1), and two equivalent N(2) atoms. The C(1)-N(1) bond length is 1.39 Å. Both C(1)-N(2) bond lengths are 1.35 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Rb(1), one C(1), and two equivalent H(1) atoms. Both N(1)-H(1) bond lengths are 1.03 Å. In the second N site, N(2) is bonded in a water-like geometry to three equivalent Rb(1), one C(1), and one H(2) atom. The N(2)-H(2) bond length is 1.03 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to two equivalent Rb(1) and one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent Rb(1) and one N(2) atom.