Non-valent interactions and structural features of monomeric guanidinate complexes of rare earth metals: analyses and predictions based on the ligand solid angle

Abstract

Analysis of steric saturation of rare earth metal centers in monomeric guanidinate coordination complexes with the use of ligand solid angles indicates that the observed optimal metal shielding is 85(3)%. Non-valent ligand–ligand interactions in the metal coordination sphere affect the shielding of the metal and can facilitate or preclude formation of agostic interactions. Analysis of all structurally characterized to date guanidinate complexes of Ln is presented and general and unique features of such complexes are identified.

Keywords:

• Ligand solid angle
• Non-valent interactions
• Guanidinate complexes
• X-ray data mining

Acknowledgments

This work was supported by the Grant from the President of the Russian Federation (Program “Leading Scientific Schools”, Projects No. 8017.2006.3) and the Russian Foundation of Basic Research (Grant No. 06-03-32728-a).