Abstract
A structural analysis of the title compound has been carried out giving a final R of 0.043. Comparison of the observed and calculated parameters of the Bijvoet pairs has allowed the absolute configuration to be determined as R at the MO atom and S at the asymmetric carbon atom. The substance crystallizes in space group P212121 with unit-cell constants of a= 12.612(1), b= 13.856(2), c= 14.174(2)A, and Z= 4. There is no crystallographic disorder between the CO and NO groups [MO–C(O) and MO–N(O) 1.940(14) and 1.809(10)A]. The compound shows the first example of chirality at a metal centre being determined by the difference between the similar ligands CO and NO, and the first example of the class of compounds [Mo(η-C5H5)L1L2L3](‘three-legged’ piano stools) whose structure has been determined, the bond lengths being similar, but not the same, as those of the class [Mo(η-C5H5)L1L2L3L4](‘four-legged’ piano stools).
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