Crystal and molecular structure of chloropentacarbonylmanganese

Abstract

ClMn(CO)₅ crystallises in space group Pnma, a= 11·54(2), b= 11·52(2), c= 5·95(1)Å, Z= 4. The crystal structure has been determined by a three-dimensional X-ray analysis based on 653 non-zero reflections measured by counter diffractometry. Refinement by block-diagonal least-squares methods with individual anisotropic thermal parameters gives R 0·061.

The molecules have C₈ symmetry by crystallographic requirement but the deviations from C_4v symmetry are very small. Bond lengths and angles are: Mn–Cl 2·367(4), Mn–C(ax) 1·807(9), Mn–C(eq) 1·892(6) and 1·893(6), C–O(eq) 1·122, C–O(ax) 1·106(8) and 1·111(8)Å; Cl–Mn–C(eq.) 179·3(4)°, Cl–Mn–C(ax) 88·1(2) and 88·4°, C(ax)–Mn–C(ax) 89·0(3), 90·0(3), and 91·8(3)°. Contacts between molecules are of normal van der Waals type.