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C22H27MnO3, monoclinic, P21/n (no. 14), a = 7.690(2) Å, b = 25.610(5) Å, c = 10.390(2) Å, $ = 101.00(3)°, V = 2008.6 Å, Z = 4, Rgt(F) = 0.0369, wRref(F ) = 0.0877, T = 290 K. Source of material The synthesis and the spectroscopy (H, C, IR) of the title compound have been reported in detail as part of the thesis project of one of us [1]. Experimental details All hydrogen atoms are placed geometrically. Uiso values were set to 1.2 (CH2) and 1.5 (CH3) times of the Ueq of the carbon atom they are attached to. The Uiso values of all other hydrogen atoms were refined freely. The hydrogen atoms of the two methyl groups in the side chain (C14 and C15) appear disordered. A crystal to detector distance of 80 mm on a STOE IPDS diffractometer limited the 2theta value to 48°.

zeitschrift für kristallographie - new crystal structures

Crystal structure of tricarbonyl(η 2:2:1 -1,2,3,11-tetramethyl-9-(2'-buten-2'- yl)tricyclo[5.3.1.0 4,10 ]undeca-2,5-dien-11-yl)manganese, C 22 H 27 MnO 3