Trans-Carbonylchloridobis[dicyclohexyl(4-isopropylphenyl)phosphane]rhodium(I) acetone monosolvate

Sizwe Makhoba,Bernard Omondi,Reinout Meijboom,Alfred Muller

doi:10.1107/s1600536811033447

Sizwe Makhoba, Bernard Omondi + Show 2 more

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https://doi.org/10.1107/s1600536811033447

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Abstract

The title rhodium Vaska-type complex, trans-[RhCl{P(C6H11)2(C6H4-4-C3H7)2}2(CO)], crystallizes with an accompanying acetone solvent molecule. The metal atom shows a distorted square-planar coordination environment with selected important geometrical parameters of Rh—P = 2.3237 (6) and 2.3253 (6) Å, Rh—Cl = 2.3724 (6) Å, Rh—C = 1.802 (2) Å, P—Rh—P = 173.42 (2)° and Cl—Rh—C = 179.13 (7)°. Effective cone angles for the two P atoms are 165 and 161°, respectively. Both isopropyl groups and the acetone molecule are disordered with occupancy values of 0.523 (5):0.477 (5), 0.554 (8):0.446 (8) and 0.735 (4):0.265 (4), respectively. The crystal packing is stabilized by weak C—H⋯O and C—H⋯Cl contacts.

Highlights

Z=8 Mo K radiation = 0.54 mmÀ1 T = 100 K 0.34 Â 0.24 Â 0.14 mm 245346 measured reflections 11404 independent reflections 10089 reflections with I > 2(I) Rint = 0.105
Effective cone angles for the two P atoms are 165 and 161, respectively. Both isopropyl groups and the acetone molecule are disordered with occupancy values of 0.523 (5):0.477 (5), 0.554 (8):0.446 (8) and 0.735 (4):0.265 (4), respectively
The crystal packing is stabilized by weak C— HÁ Á ÁO and C—HÁ Á ÁCl contacts

Summary

Structure Reports Online

Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.004 A; disorder in main residue; R factor = 0.030; wR factor = 0.059; data-to-parameter ratio = 21.0. The title rhodium Vaska-type complex, trans-[RhCl{P(C6H11)2(C6H4-4-C3H7)2}2(CO)], crystallizes with an accompanying acetone solvent molecule. The metal atom shows a distorted square-planar coordination environment with selected important geometrical parameters of Rh—P = 2.3237 (6) and 2.3253 (6) A , Rh—Cl = 2.3724 (6) A , Rh—C = 1.802 (2) A , P—Rh—P = 173.42 (2) and Cl—Rh—C = 179.13 (7). Effective cone angles for the two P atoms are 165 and 161, respectively. Both isopropyl groups and the acetone molecule are disordered with occupancy values of 0.523 (5):0.477 (5), 0.554 (8):0.446 (8) and 0.735 (4):0.265 (4), respectively. The crystal packing is stabilized by weak C— HÁ Á ÁO and C—HÁ Á ÁCl contacts

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