Coordination-driven self-assembly of 1,3,5-benzenetricarboxylate (tma; 1) and oxalato-bridged p-cymeneruthenium(II) building block [Ru2(μ- η4-C2O4)(MeOH)2(η 6-p-cymene)2](O3SCF3)2(2) affords an unusual octanuclear incomplete prism [Ru8(η 6-p-cymene)8(tma)2(μ-η4- C2O4)2(OMe)4](O3SCF 3)2(3), which exhibits a remarkable shape-selective binding affinity for neutral phenolic compounds via hydrogen-bonding interactions (p-cymene = p-iPrC6H4Me). Such a binding was confirmed by single-crystal X-ray diffraction analysis using 1,3,5-trihydroxybenzene as an analyte. © 2010 American Chemical Society.