K4MoC4(NO2)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one C(1), one C(2), two equivalent N(1), two equivalent N(2), one O(2), one O(3), and one O(4) atom. In the second K site, K(2) is bonded in a 7-coordinate geometry to one N(2), two equivalent N(1), one O(2), one O(4), and two equivalent O(3) atoms. Mo(1) is bonded in a distorted octahedral geometry to two equivalent C(1), two equivalent C(2), and two equivalent O(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one K(1), one Mo(1), and one N(1) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one K(1), one Mo(1), and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one C(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one C(2) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one O(4) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one O(3) atom. In the third O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth O site, O(2) is bonded in a water-like geometry to one K(1) and one K(2) atom.
K4MoC4(NO2)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one C(1), one C(2), two equivalent N(1), two equivalent N(2), one O(2), one O(3), and one O(4) atom. The K(1)-C(1) bond length is 3.09 Å. The K(1)-C(2) bond length is 3.06 Å. There is one shorter (2.88 Å) and one longer (3.11 Å) K(1)-N(1) bond length. There is one shorter (2.85 Å) and one longer (3.01 Å) K(1)-N(2) bond length. The K(1)-O(2) bond length is 2.68 Å. The K(1)-O(3) bond length is 3.21 Å. The K(1)-O(4) bond length is 3.31 Å. In the second K site, K(2) is bonded in a 7-coordinate geometry to one N(2), two equivalent N(1), one O(2), one O(4), and two equivalent O(3) atoms. The K(2)-N(2) bond length is 3.03 Å. There is one shorter (2.97 Å) and one longer (3.11 Å) K(2)-N(1) bond length. The K(2)-O(2) bond length is 2.69 Å. The K(2)-O(4) bond length is 2.96 Å. There is one shorter (2.76 Å) and one longer (2.95 Å) K(2)-O(3) bond length. Mo(1) is bonded in a distorted octahedral geometry to two equivalent C(1), two equivalent C(2), and two equivalent O(1) atoms. Both Mo(1)-C(1) bond lengths are 2.23 Å. Both Mo(1)-C(2) bond lengths are 2.24 Å. Both Mo(1)-O(1) bond lengths are 1.84 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one K(1), one Mo(1), and one N(1) atom. The C(1)-N(1) bond length is 1.18 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one K(1), one Mo(1), and one N(2) atom. The C(2)-N(2) bond length is 1.18 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one C(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one C(2) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one O(4) atom. The O(3)-O(4) bond length is 1.27 Å. In the second O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one O(3) atom. In the third O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth O site, O(2) is bonded in a water-like geometry to one K(1) and one K(2) atom.