Bis(μ-diethyldithiocarbamato)bis[(η5-pentamethylcyclopentadienyl)iridium(III)] bis(perchlorate)

Michael Scharwitz, Iris M. Oppel, William S. Sheldrick
2007 Acta Crystallographica Section E  
Key indicators: single-crystal X-ray study; T = 108 K; mean (C-C) = 0.007 Å; R factor = 0.027; wR factor = 0.062; data-to-parameter ratio = 15.4. Cations of the dinuclear title compound, [Ir 2 (C 10 H 15 ) 2 -(C 5 H 10 NS 2 ) 2 ](ClO 4 ) 2 , contain two half-sandwich ( 5 -C 5 Me 5 )Ir III fragments and two tridentate diethyldithiocarbamate ligands, whose S atoms coordinate individual Ir III atoms in a 2 S,S 0 -fashion to afford four-membered chelate rings. The Ir III atoms are linked by the
more » ... carbamate ligands in a -S bridging manner in a central (IrS) 2 ring. The ( 5 -C 5 Me 5 )Ir III fragments adopt a cis arrangement relative to this ring and exhibit Ir-C distances in the range 2.167 (5)-2.206 (5) Å . Ir-S bond lengths to the bridging S atoms lie between 2.3897 (11) and 2.4098 (12) Å , and are slightly longer than those of 2.3842 (12) and 2.3832 (12) Å observed for the monodentate S atoms. The ions are linked by C-HÁ Á ÁO hydrogen bonds. Orthorhombic, Pbca a = 20.2386 (5) Å b = 15.1259 (6) Å c = 25.6234 (10) Å V = 7844.0 (5) Å 3 Z = 8 Mo K radiation = 7.18 mm À1 T = 108 (2) K 0.46 Â 0.30 Â 0.12 mm Data collection Oxford diffraction Sapphire2 CCD diffractometer Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2006) T min = 0.103, T max = 0.416 37944 measured reflections 6895 independent reflections 5296 reflections with I > 2(I) R int = 0.033
doi:10.1107/s1600536807031868 fatcat:6dz3g3qk25arretzrdsbvlciim