CRYSTAL AND MOLECULAR STRUCTURE OF TRANS-DICHLOROTETRAKIS(THIOUREA)COBALT(II)

The crystal structure of trans-dichlorotetrakis(thiourea)cobalt(II), Co[SC(NH2)2]4Cl2, has been determined by three-dimensional X-ray diffraction techniques from 885 reflections measured with an automatic diffractometer. The compound crystallizes in the tetragonal space group P42/n with a = b = 13.508 ± 0.007 Å, c = 9.106 ± 0.005 Å, Dm = 1.72 g/cm3, and Dc = 1.72 g/cm3 for Z = 4. The structure, including hydrogen atoms, was refined by least-squares methods to a conventional R of 0.045. The structure consists of discrete molecules interconnected with hydrogen bonds. However, it is not isostructural with trans-Ni[SC(NH2)2]4Cl2 as previously reported. The cobalt atom is located on a center of symmetry and is octahedrally coordinated to four sulfur and two chlorine atoms. The two independent Co-S distances are 2.502 and 2.553 Å, both ±0.006 Å; the Co-Cl distance is 2.469 ± 0.002 Å. The S-C (1.712 and 1.730 Å, both ±0.013 Å) and C-N (average 1.311 Å with individual esd'sof ±0.016 Å) bond lengths do not differ significantly from each other nor from values reported for free thiourea and other thiourea complexes. The thiourea groups, including hydrogens, are planar well within experimental error. MII[SC(NH2)2]4Cl2 is an isomorphous series when M is Co, Fe, Mn, and Cd. © 1969, American Chemical Society. All rights reserved.