Fig. 6: Lanthanide complexes analysed with SHAPE v2.1 (CShM) and CSoM providing σideal-values for a selected polyhedra P and σsym-values for selected point groups G. | Nature Communications

Fig. 6: Lanthanide complexes analysed with SHAPE v2.1 (CShM) and CSoM providing σideal-values for a selected polyhedra P and σsym-values for selected point groups G.

From: Determining molecular structure, coordination geometry, and molecular symmetry using a continuous symmetry operation measure software

Fig. 6

a Dy(bbpen)X145, b Nd(pc)2146, c Nd(oda)3147, d Dy(tp-py)2148. e CSoM investigation of the structure of Ln(sst)3THF2 series. f CSoM investigation of the structure of Tm.DOTA and Dy.DOTA(H2O) and the electronic structure of Dy.DOTA(H2O) as a function of symmetry163. Atom legend: carbon ligand backbone = pale gray, silicon ligand backbone = blue, hydrogen = pink, oxygen = red, aromatic nitrogen = light blue, aliphatic nitrogen = dark blue, lanthanum = green, neodymium = deep purple, dysprosium = bright green, thulium= aquamarine, lutetium = pale green. Images in panel f used with permission of Royal Society of Chemistry, from Chemical Science, M. Briganti et al, 10, 7233-7245, 2019; permission conveyed through Copyright Clearance Center, Inc.

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