Geometry variation of complex ions in crystalsâ Structural systematics. Part 8.1 Electronic supplementary information (ESI) available: bond parameters and their statistics. See http://www.rsc.org/suppdata/dt/b1/b100108f/
Orpen, A. Guy; Quayle, Michael J.; Orpen A. Guy; School of Chemistry, University of Bristol; Quayle Michael J.; School of Chemistry, University of Bristol
Журнал:
Dalton Transactions
Дата:
2001
Аннотация:
The geometries of a series of metal complex and other inorganic ions have been retrieved from crystal structures of their salts in the Cambridge Structural Database. These ions show substantially higher variation (Ï ) in their bond lengths and angles than would be expected on the basis of normal crystallographic estimates of precision (standard uncertainty). There is clear evidence of a link between Ï and the softness of systems. Thus Mâ Cl bond length Ï values are small for species such as [SnCl6]<sup>2â </sup> or [MoCl6]<sup>3â </sup> (Ï â =â 0.016 and 0.010 à respectively) while at the other extreme [TeCl6]<sup>2â </sup> or [BiCl6]<sup>3â </sup> have Ï â =â 0.083 and 0.094 à respectively. Baseline uncertainty levels are apparent in even very well behaved systems such as [PtCl4]<sup>2â </sup> and [PtCl6]<sup>2â </sup> (bond length and bond angle Ï values of ca. 0.01 à and 1.0° respectively). There is no evidence that the geometries of the complex ions studied here are substantially more variable than those of similar neutral molecules. There is some evidence that the â organicâ or non-metal aspects of molecular geometry are less variable than the metal-containing aspects.
920.3Кб