research papers

The crystal structure of Pb(SC

_{6}H_{5})2 is pseudo-*C*-centred orthorhombic,*a*= 54.06 (1),*b*= 11.468 (1),*c*= 7.4387 (8) Å, = = = 90°,*Z*= 16, and may be described as a partial ordering of a 1:1 disordered parent structure of symmetry*Pmcn*,*Z*= 4 (**a**' =**a**/2,**b**' =**b**/2,**c**' =**c**), in which the mirror imposes a 1:1 disorder on two-dimensionally polymeric layers perpendicular to**a***. An ideally ordered structure has monoclinic space group*C*112_{1}/*d*(*P*2_{1}/*c*using an alternative axis system**b**,**c**, [**a**+**b**]/2), but may also be described as two inversion-related substructures of*Cmc*2_{1}pseudo- symmetry, where the*b*-glide planes of one substructure coincide with the mirror planes of the other and*vice versa*. Moving one substructure by**b**/2 relative to the other creates a different orientation of the structure. The crystal studied showed a partial disorder of each substructure relative to origins**b**/2 apart [0.964 (4):0.036 for one substructure and 0.584 (3):0.416 for the other]. This lowers the symmetry of the average structure to*C*112_{1}with intensities realistically described as*K*^{2}[(1-)|*F*(*hkl*)|^{2}+ |*F*(*hkl*)|^{2}], where*K*^{2}for*h*odd,*k*odd reflections is 0.444 (7) of the value for*h*even,*k*even reflections, is 0.325 (5) and*F*(*hkl*) is the structure factor for an ideally ordered structure. Final values for*R*of 0.046 and 0.090 were obtained for the 844*h*even,*k*even and 687*h*odd,*k*odd reflections with*I*(**h**) > 3(*I*(**h**)) used in refinement. A bond-valence interpretation of the bonding within the polymeric layer structure is given.### Supporting information

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CCDC reference: 1247000