Best planes

For the calculation of the best planes of the cyclohexyl ring only the four central carbon atoms were used. 

Figure 3. Bowl depth from X-ray diffraction as measured from the rim aromatic carbons to the best plane containing the central five-membered ring.

Table 16. Equations of the best plane for the rings NjP S and distances of the atoms of the molecule...

TABLE 2. Deviation from planarity measured by the distance (pm) to the best plane through the respective aromatic ring in MestiGe (5) and in MeSjSn (6) ... 

The colored by-product arising during the oxidation of 1,10-phenanthroline was found to have the structure (9) by examination of its sodium salt. Both oxygen groups were found to be directed out of the same side of the best plane through the molecule <92JCS(Pl)l60l>. 

Have a close look at the structures of [Co(tram-diammac)]3+. The main distortion in this case is the angle 6 between the best plane through the four equatorial macrocyclic N-donors and the cobalt center, and the bonds to the axial N-donors (see Fig. 17.11.1). Use the Structure module to measure this distortion, and compare it (i) between the three conformers and (ii) for each conformer through the four force fields. 

The complex H[La(EDTA)(H20)4] 3H2O involves severe restrictions placed on the polyhedron by the EDTA ligand, and overall the polyhedron may be considered to be approaching a bicapped square antiprism [174]. This is shown in Fig. 5.28. The coordination polyhedron in La(NC>3)3 - (bipy)2 has features belonging to all three geometries D4d, D2 and C2V- Based on general shape criteria and adherence to various least squares best planes, the description would be in terms of D2 geometry [173]. 

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