Redetermination of crystal structure of dichloroethanolato oxobis(triphenylphosphine)-rhenium(V) with larger unit cell using the KM4CCD diffractometer

The crystal structure of the title compound with larger unit cell (V = 5147 .9 Angstrom(3), C114H105O6P6Cl6Re3-Z=2- for 3 independent molecules in tric linic space group P (1) over bar) has been determined using a KM4CCD Kuma D iffraction Diffractometer with CCD camera, and the original KM4CCD data col lection and KM4RED data reduction programs. The structure of the same compo und has already been published [4,5,6]. In these earlier works it was repor ted, that it contains only one independent molecule in the unit cell with t he volume of 1747(2) Angstrom(3). It seems to be a mistake. Our measurement s on KM4CCD diffractometer with two-dimensional CCD camera allowed us to co llect sufficient data to eliminate such error possibility. It is worthy to mention that, in the investigated structure, one of three independent molec ules in the unit cell (see Fig. 1) distinctly differs in conformation from the remaining two (see Re3 complex in Fig. 1). In the course of above struc ture measurement on KM4CCD Kuma Diffraction Diffractometer we have also tes ted the original KM4CCD data collection and KM4RED data reduction computer programs and introduced some new improvements to them.