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Volume 66 
Part 5 
Page m544  
May 2010  

Received 15 March 2010
Accepted 14 April 2010
Online 21 April 2010

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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.005 Å
R = 0.049
wR = 0.094
Data-to-parameter ratio = 17.2
Details
Open access

{1,3-Bis[(diphenylphosphanyl-[kappa]P)oxy]propane}dicarbonyliron(0)

Guoqiang Xua and Xiaoyan Lia*

aSchool of Chemistry and Chemical Engineering, Shandong University, Shanda Nanlu 27, Jinan 250100, People's Republic of China
Correspondence e-mail: xli63@sdu.edu.cn

The structure of the title compound, [Fe(C27H26O2P2)(CO)2], exhibits a distorted tetrahedral coordination [bond angle range = 96.31 (12)-119.37 (4)°], comprising two P-atom donors from the chelating 1,3-bis[(diphenylphosphanyl)oxy]propane ligand [Fe-P = 2.1414 (10) and 2.1462 (10) Å] and two carbonyl ligands [Fe-C = 1.763 (4) and 1.765 (3) Å].

Related literature

For a related carbonylation reaction, see: Klein et al. (2003[Klein, H. F., Beck, R., Flörke, U. & Haupt, H. J. (2003). Eur. J. Inorg. Chem. pp. 853-862.]). For general background to metal complexes with the 1,3-bis[(diphenylphosphino)oxy]propane ligand, see: Pandarus et al. (2008[Pandarus, V., Castonguay, A. & Zargarian, D. (2008). Dalton Trans. pp. 4756-4761.]); Xu et al. (2009[Xu, G., Sun, H. & Li, X. (2009). Organometallics, 28, 6090-6095.]).

[Scheme 1]

Experimental

Crystal data

  • [Fe(C27H26O2P2)(CO)2]

  • Mr = 556.29

  • Monoclinic, P 21 /n

  • a = 12.589 (3) Å

  • b = 15.191 (3) Å

  • c = 14.384 (3) Å

  • [beta] = 106.14 (3)°

  • V = 2642.4 (11) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.73 mm-1

  • T = 293 K

  • 0.27 × 0.20 × 0.15 mm
Data collection

  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). University of Göttingen, Germany.]) Tmin = 0.828, Tmax = 0.899

  • 17176 measured reflections

  • 5590 independent reflections

  • 3864 reflections with I > 2[sigma](I)

  • Rint = 0.080
Refinement

  • R[F2 > 2[sigma](F2)] = 0.049

  • wR(F2) = 0.094

  • S = 0.99

  • 5590 reflections

  • 325 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.55 e Å-3

  • [Delta][rho]min = -0.30 e Å-3

Data collection: SMART (Bruker, 1997[Bruker (1997). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 1997[Bruker (1997). SMART and 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZS2034 ).

Acknowledgements

We gratefully acknowledge support by NSF China (No. 20872080/20772072).

References

Bruker (1997). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Klein, H. F., Beck, R., Flörke, U. & Haupt, H. J. (2003). Eur. J. Inorg. Chem. pp. 853-862.  [CSD] [CrossRef]
Pandarus, V., Castonguay, A. & Zargarian, D. (2008). Dalton Trans. pp. 4756-4761.  [CSD] [CrossRef]
Sheldrick, G. M. (1996). University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Xu, G., Sun, H. & Li, X. (2009). Organometallics, 28, 6090-6095.  [CrossRef] [ChemPort]

Acta Cryst (2010). E66, m544  [ doi:10.1107/S1600536810013759 ]

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