Mo(CO)6 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four Mo(CO)6 clusters. Mo(1) is bonded in an octahedral geometry to one C(2), one C(3), two equivalent C(1), and two equivalent C(4) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one Mo(1) and one O(1) atom. In the second C site, C(2) is bonded in a distorted linear geometry to one Mo(1) and one O(2) atom. In the third C site, C(3) is bonded in a distorted linear geometry to one Mo(1) and one O(3) atom. In the fourth C site, C(4) is bonded in a distorted linear geometry to one Mo(1) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to one C(2) atom. In the second O site, O(3) is bonded in a single-bond geometry to one C(3) atom. In the third O site, O(4) is bonded in a single-bond geometry to one C(4) atom. In the fourth O site, O(1) is bonded in a single-bond geometry to one C(1) atom.
Mo(CO)6 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four Mo(CO)6 clusters. Mo(1) is bonded in an octahedral geometry to one C(2), one C(3), two equivalent C(1), and two equivalent C(4) atoms. The Mo(1)-C(2) bond length is 2.05 Å. The Mo(1)-C(3) bond length is 2.05 Å. Both Mo(1)-C(1) bond lengths are 2.05 Å. Both Mo(1)-C(4) bond lengths are 2.05 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one Mo(1) and one O(1) atom. The C(1)-O(1) bond length is 1.15 Å. In the second C site, C(2) is bonded in a distorted linear geometry to one Mo(1) and one O(2) atom. The C(2)-O(2) bond length is 1.15 Å. In the third C site, C(3) is bonded in a distorted linear geometry to one Mo(1) and one O(3) atom. The C(3)-O(3) bond length is 1.15 Å. In the fourth C site, C(4) is bonded in a distorted linear geometry to one Mo(1) and one O(4) atom. The C(4)-O(4) bond length is 1.15 Å. There are four inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to one C(2) atom. In the second O site, O(3) is bonded in a single-bond geometry to one C(3) atom. In the third O site, O(4) is bonded in a single-bond geometry to one C(4) atom. In the fourth O site, O(1) is bonded in a single-bond geometry to one C(1) atom.