Abstract
Crystals of the title compound, fac,cis-[ReBr(C21H21P)2(CO)3], were obtained by recrystallization of a sample from CHCl3 layered with hexane. The geometry about the d 6 ReI centre is (distorted) octahedral with the three CO ligands fac and the two tribenzylphosphine ligands cis. In accordance with the trans influence, the Re—C bond trans to Br is significantly shorter than those trans to the organophosphine ligands.
Highlights
We have described the synthesis and spectroscopic characterization of a series of tricarbonylbis(triorganophosphine)halides of MnI and ReI, together with structural studies on selected compounds: mer,trans[MnBr(CO)3{P(C6H4Cl-4)3}2], fac,cis-[MnBr(CO)3(dppe)], fac,cis-[MnBr(CO)3(dppf)], fac,cis-[ReBr(CO)3{P(C6H4OMe4)2}2] and fac,cis-[ReBr(CO)3(dppf)] (Beckett et al, 2003), and fac,cis-[MnBr0.3Cl0.7(CO)3(dppp)] (Light et al, 2004)
The synthesis and spectroscopic characterization of fac,cis[ReBr(CO)3{P(CH2C6H5)3}2], (I), was described in an earlier publication, but crystals suitable for X-ray diffraction were unavailable at the time
107.9 107.9 107.9 107.9 107.2 118.2 (2) 122.4 (2) 119.4 (2) 120.8 (3) 119.6 119.6 supporting information
Summary
We have described the synthesis and spectroscopic characterization of a series of tricarbonylbis(triorganophosphine)halides of MnI and ReI, together with structural studies on selected compounds: mer,trans[MnBr(CO)3{P(C6H4Cl-4)3}2], fac,cis-[MnBr(CO)3(dppe)], fac,cis-[MnBr(CO)3(dppf)], fac,cis-[ReBr(CO)3{P(C6H4OMe4)2}2] and fac,cis-[ReBr(CO)3(dppf)] (Beckett et al, 2003), and fac,cis-[MnBr0.3Cl0.7(CO)3(dppp)] (Light et al, 2004). The synthesis and spectroscopic characterization of fac,cis[ReBr(CO)3{P(CH2C6H5)3}2], (I), was described in an earlier publication, but crystals suitable for X-ray diffraction were unavailable at the time. The overall fac,cis geometry about an octahedral d6 ReI centre, as was indicated by earlier spectroscopic (IR and NMR) evidence, is confirmed by this crystallographic study. The octahedral geometry is considerably distorted [cis angles range from 81.055 (14) to 98.32 (2), with P1—Re1—P2 the largest, and trans angles range from 169.03 (8) to 173.81 (8)], but bond lengths and angles are well within previously reported ranges for related compounds (Beckett et al, 2003; Carballo et al, 2001; Gibson et al 2001).
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