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Volume 64 
Part 1 
Pages m179-m180  
January 2008  

Received 21 November 2007
Accepted 6 December 2007
Online 12 December 2007


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© International Union of Crystallography 2008

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.007 Å
Disorder in main residue
R = 0.037
wR = 0.080
Data-to-parameter ratio = 19.0
Details

trans-Carbonylchloridobis(ethyldiphenylphosphine-[kappa]P)rhodium(I)

Fabio Lorenzini,a Brian O. Patricka and Brian R. Jamesa*

aDepartment of Chemistry, University of British Columbia, 2036 Main Mall, Vancouver, BC V6T 1Z1, Canada
Correspondence e-mail: brj@chem.ubc.ca

The title compound, [RhCl(C14H15P)2(CO)], crystallizes with two almost identical molecules in the asymmetric unit. The molecules have the RhI atom in a square-planar geometry. The crystal structure involves intermolecular C-H...O hydrogen bonds.

Related literature

For related literature, see: Beck et al. (1999[Beck, C. M., Rathmill, S. E., Park, Y. J., Chen, J., Crabtree, R. H., Liable-Sands, L. M. & Rheingold, A. L. (1999). Organometallics, 18, 5311-5317 and references therein.]); Higham et al. (2004[Higham, L. J., Whittlesey, M. K. & Wood, P. T. (2004). J. Chem. Soc. Dalton Trans. pp. 4202-4208.]); Hoye et al. (1993[Hoye, P. A. T., Pringle, P. G., Smith, M. B. & Worboys, K. (1993). J. Chem. Soc. Dalton Trans. pp. 269-274.]); Lorenzini et al. (2007a[Lorenzini, F., Patrick, B. O. & James, B. R. (2007a). J. Chem. Soc. Dalton Trans. pp. 3224-3226.],b[Lorenzini, F., Patrick, B. O. & James, B. R. (2007b). Inorg. Chem. 46, 8998-9002.],c[Lorenzini, F., Patrick, B. O. & James, B. R. (2007c). Inorg. Chim. Acta. doi: 10.1016/j.ica.2007.10.044. In the press.]); O'Connor & Wilkinson (1969[O'Connor, C. & Wilkinson, G. (1969). Tetrahedron Lett. pp. 1375-1377.]); Vallarino (1957[Vallarino, L. (1957). J. Chem. Soc. pp. 2287-2292.]); Vaska & Di Luzio (1961[Vaska, L. & Di Luzio, J. W. (1961). J. Am. Chem. Soc. 83, 2784-2785.], 1962[Vaska, L. & Di Luzio, J. W. (1962). J. Am. Chem. Soc. 84, 679-680.]).

[Scheme 1]

Experimental

Crystal data

  • [RhCl(C14H15P)2(CO)]

  • Mr = 594.83

  • Monoclinic, P 21

  • a = 9.8557 (14) Å

  • b = 16.385 (2) Å

  • c = 16.381 (2) Å

  • [beta] = 90.216 (6)°

  • V = 2645.3 (6) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.89 mm-1

  • T = 173.0 (1) K

  • 0.15 × 0.15 × 0.07 mm
Data collection

  • Bruker X8 APEXII diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2003[Bruker (2003). SADABS. Version 2.10. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.701, Tmax = 0.940

  • 41680 measured reflections

  • 12665 independent reflections

  • 8610 reflections with I > 2[sigma](I)

  • Rint = 0.049
Refinement

  • R[F2 > 2[sigma](F2)] = 0.037

  • wR(F2) = 0.080

  • S = 0.98

  • 12665 reflections

  • 668 parameters

  • 1 restraint

  • H-atom parameters constrained

  • [Delta][rho]max = 0.45 e Å-3

  • [Delta][rho]min = -0.36 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 6047 Friedel pairs

  • Flack parameter: 0.04 (4)

Table 1
Selected geometric parameters (Å, °)

C57-Rh1 1.803 (13)
Cl1-Rh1 2.386 (3)
C58-Rh2 1.770 (17)
Cl2-Rh2 2.409 (4)
P1-Rh1 2.3161 (11)
P2-Rh1 2.3207 (11)
P3-Rh2 2.3154 (11)
P4-Rh2 2.3132 (11)
C57-Rh1-P1 89.8 (4)
C57-Rh1-P2 89.8 (4)
P1-Rh1-P2 178.85 (7)
C57-Rh1-Cl1 178.9 (4)
P1-Rh1-Cl1 89.65 (9)
P2-Rh1-Cl1 90.70 (9)
C58-Rh2-P4 91.4 (5)
C58-Rh2-P3 89.2 (5)
P4-Rh2-P3 179.25 (7)
C58-Rh2-Cl2 177.0 (5)
P4-Rh2-Cl2 89.25 (12)
P3-Rh2-Cl2 90.22 (11)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C22-H22...O2i 0.95 2.64 3.424 (18) 140
C48-H48...O1Bii 0.95 2.68 3.51 (3) 145
C4-H4...O1Biii 0.95 2.71 3.51 (3) 142
Symmetry codes: (i) [-x+1, y-{\script{1\over 2}}, -z+2]; (ii) [-x+2, y+{\script{1\over 2}}, -z+2]; (iii) [-x+2, y-{\script{1\over 2}}, -z+2].

Data collection: SAINT (Bruker, 1997[Bruker (1997). SAINT. Version 7.03A. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT; data reduction: SAINT; program(s) used to solve structure: SIR97 (Altomare et al., 1999[Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997[Sheldrick, G. M. (1997). SHELXL97. University of Göttingen, Germany.]); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]); software used to prepare material for publication: WinGX (Farrugia, 1999[Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.]).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NG2391 ).

Acknowledgements

The authors thank the Natural Sciences and Engineering Research Council of Canada for financial support via a Discovery Grant.

References

Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.  [CrossRef] [ChemPort] [details]
Beck, C. M., Rathmill, S. E., Park, Y. J., Chen, J., Crabtree, R. H., Liable-Sands, L. M. & Rheingold, A. L. (1999). Organometallics, 18, 5311-5317 and references therein.
Bruker (1997). SAINT. Version 7.03A. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2003). SADABS. Version 2.10. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.  [CrossRef] [details]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [ChemPort] [details]
Higham, L. J., Whittlesey, M. K. & Wood, P. T. (2004). J. Chem. Soc. Dalton Trans. pp. 4202-4208.
Hoye, P. A. T., Pringle, P. G., Smith, M. B. & Worboys, K. (1993). J. Chem. Soc. Dalton Trans. pp. 269-274.  [CrossRef]
Lorenzini, F., Patrick, B. O. & James, B. R. (2007a). J. Chem. Soc. Dalton Trans. pp. 3224-3226.
Lorenzini, F., Patrick, B. O. & James, B. R. (2007b). Inorg. Chem. 46, 8998-9002.  [CrossRef] [PubMed] [ChemPort]
Lorenzini, F., Patrick, B. O. & James, B. R. (2007c). Inorg. Chim. Acta. doi: 10.1016/j.ica.2007.10.044. In the press.
O'Connor, C. & Wilkinson, G. (1969). Tetrahedron Lett. pp. 1375-1377.  [CrossRef]
Sheldrick, G. M. (1997). SHELXL97. University of Göttingen, Germany.
Vallarino, L. (1957). J. Chem. Soc. pp. 2287-2292.  [CrossRef]
Vaska, L. & Di Luzio, J. W. (1961). J. Am. Chem. Soc. 83, 2784-2785.  [CrossRef] [ChemPort]
Vaska, L. & Di Luzio, J. W. (1962). J. Am. Chem. Soc. 84, 679-680.  [CrossRef] [ChemPort]

Acta Cryst (2008). E64, m179-m180   [ doi:10.1107/S1600536807065877 ]