CRYSTAL STRUCTURE OF (h5-PENTAMETHYLCYCLOPENTADIENYL){BIS(PENTAFLUOROPHENYL)THIOMETHYLPHENYLPHOSPHINE-k2S,P)CHLOROIRIDIUM(III) TETRAFLUOROBORATE

The salt (h5-pentamethylcyclopentadienyl){bis(pentafluorophenyl)thiomethylphenylphosphine-k2S,P)chloroiridium(III) tetrafluoroborate, [(h5-C5Me5)IrCl{k2S,P-(C6F5)2PC6H4SMe-2}]BF4, crystallizes as a conglomerate in the orthorhombic crystal system in space group P212121 with unit cell parameters a = 9.9621(9) ?, b = 16.7793(15) ?, c = 18.5040(16) ?, V = 3093.1(5) ?3, Z = 4, dcalc = 2.014 g?cm–3. The structure of the SIr, SS stereoisomer reveals three-legged piano stool geometry about Ir, with Cp*—Ir, Ir—P, Ir—S and Ir—Cl distances of 1.847(5), 2.2791(14), 2.3451(13) and 2.3840(12) ? respectively.

Авторы

Bellabarb R.M.

Тэги

conglomerate h5-pentamethylcyclopentadienyl iridium X-ray structure

Тематические рубрики

Прикладные науки. Медицина. Технология

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Кристаллическое строение трех сольватов 1,1?-бинафтил-2,2?-бикарбоновой кислоты с 2-пиколином, SPECTRAL ANALYSIS of ACETYLCHOLINE HALIDES by DENSITY FUNCTIONAL THEORY CALCULATIONS, ...

Резюме по документу**

Intramolecular dehydrofluorinative coupling of pentamethylcyclopentadienyl and phosphines bearing polyfluoroaryl substituents occurs readily in cationic complexes of rhodium [ 1, 2 ] and iridium [ 2, 3 ], especially in cases where the phosphine moiety is a component of a chelating ligand. <...> Here we report the structure of an iridium complex, [(u5-C5Me5)IrCl{xP,xS-(C6F5)2PC6H4SMe-2}]BF4 (1), which undergoes intramolecular dehydrofluorinative coupling [ 3 ], and which also crystallizes as a conglomerate. <...> Salt 1 crystallized as a conglomerate in the non-centrosymmetric space group P212121. <...> The structure of the SIr, SS stereoisomer was determined (Fig. 1). <...> The ene functionality is approximately trans to the phosphorus atom (the P—Ir—Cp*—ene(centre) torsion angle is 177.8(2)ē), which exerts a greater trans influence than chloride or thiolate. <...> The structural parameters of the (C6F5)2PC6H4SMe-2 ligand of complex 1 are similar to the relevant parameters of complex 2 [ 1 ]. <...> The angles at phosphorus are similar for the two complexes, but the M—S—C angles are slightly larger for 2. <...>

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CRYSTAL STRUCTURE OF (h5-PENTAMETHYLCYCLOPENTADIENYL){BIS(PENTAFLUOROPHENYL)THIOMETHYLPHENYLPHOSPHINE-k2S,P)CHLOROIRIDIUM(III) TETRAFLUOROBORATE

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