[Journal logo]

Volume 64 
Part 6 
Page m780  
June 2008  

Received 23 April 2008
Accepted 30 April 2008
Online 7 May 2008

[dn2343sup1]
[3d view]

[Cited in]
[Download citation]
Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.017 Å
R = 0.031
wR = 0.069
Data-to-parameter ratio = 21.0
Details
Open access

Bromido-1[kappa]Br-tricarbonyl-2[kappa]3C-(2[eta]5-cyclopentadienyl)molybdenum(I)tungsten(I)(W-Mo)

Martin O. Onani,a Jan-André Gertenbachb and Muhammad D. Balac*

aUniversity of the Western Cape, Modderdam Road, Bellville, Cape Town 7535, South Africa,bDepartment of Chemistry and Polymer Science, University of Stellenbosch, Private Bag X1, Matieland 7602, South Africa, and cSchool of Chemistry, University of KwaZulu-Natal, Westville Campus, Private Bag X54001, Durban 4000, South Africa
Correspondence e-mail: bala@ukzn.ac.za

The title compound, [WMoBr(C5H5)(CO)3], is built up from a pseudo-square-pyramidal piano-stool coordination around the Mo atom, the important geometry being Mo-W = 2.6872 (7) Å, W-Br = 2.5591 (9) Å and Mo-W-Br = 158.35 (3)°.

Related literature

For related literature, see Albright et al. (1978[Albright, M. J., Glick, D. M. & Oliver, J. P. (1978). J. Organomet. Chem. 161, 221-231.]); Bueno & Churchill (1981[Bueno, C. & Churchill, R. M. (1981). Inorg. Chem. 20, 2197-2202.]); Changamu et al. (2006[Changamu, E. O., Friedrich, H. B., Onani, M. O. & Rademeyer, M. (2006). J. Organomet. Chem. 691, 4615-4625.]); Friedrich et al. (2004[Friedrich, H. B., Howie, R. A., Laing, M. & Onani, M. O. (2004). J. Organomet. Chem. 689, 181-193.]).

[Scheme 1]

Experimental

Crystal data

  • [WMoBr(C5H5)(CO)3]

  • Mr = 508.82

  • Tetragonal, [P \overline 42_1 c ]

  • a = 11.9375 (9) Å

  • c = 15.546 (2) Å

  • V = 2215.4 (4) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 15.09 mm-1

  • T = 100 (2) K

  • 0.11 × 0.10 × 0.07 mm
Data collection

  • Bruker APEX CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2002[Bruker (2002). SMART and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.251, Tmax = 0.347

  • 13298 measured reflections

  • 2673 independent reflections

  • 2497 reflections with I > 2[sigma](I)

  • Rint = 0.048
Refinement

  • R[F2 > 2[sigma](F2)] = 0.030

  • wR(F2) = 0.069

  • S = 1.02

  • 2673 reflections

  • 127 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.31 e Å-3

  • [Delta][rho]min = -0.72 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 1118 Friedel pairs

  • Flack parameter: 0.00 (1)

Data collection: SMART (Bruker, 2002[Bruker (2002). SMART and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2003[Bruker (2003). SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: X-SEED (Barbour, 2001[Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.]); software used to prepare material for publication: SHELXL97 and PLATON (Spek, 2003[Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.]).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: DN2343 ).

Acknowledgements

The authors are grateful to the NRF, WSU and UWC for funding, and to Miss Lungelwa Dyantyi for assistance with the experimental work.

References

Albright, M. J., Glick, D. M. & Oliver, J. P. (1978). J. Organomet. Chem. 161, 221-231.  [CrossRef] [ChemPort]
Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.  [CrossRef] [ChemPort]
Bruker (2002). SMART and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2003). SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Bueno, C. & Churchill, R. M. (1981). Inorg. Chem. 20, 2197-2202.  [CrossRef] [ChemPort]
Changamu, E. O., Friedrich, H. B., Onani, M. O. & Rademeyer, M. (2006). J. Organomet. Chem. 691, 4615-4625.  [CrossRef] [ChemPort]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Friedrich, H. B., Howie, R. A., Laing, M. & Onani, M. O. (2004). J. Organomet. Chem. 689, 181-193.  [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.  [ISI] [CrossRef] [ChemPort] [details]

Acta Cryst (2008). E64, m780  [ doi:10.1107/S1600536808012828 ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.