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Volume 69 
Part 10 
Page m547  
October 2013  

Received 31 August 2013
Accepted 11 September 2013
Online 21 September 2013

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.005 Å
R = 0.024
wR = 0.055
Data-to-parameter ratio = 27.3
Details
Open access

Bis([eta]2-ethylene)([eta]5-indenyl)iridium(I)

aDepartment of Chemistry 0212, Virginia Tech, Blacksburg, VA 24061, USA
Correspondence e-mail: jmerola@vt.edu

The asymmetric unit of the title compound, [Ir(C9H7)(C2H4)2], consists of two independent molecules. The bonding between iridium and the five-membered ring of the indenyl ligand shows the usual asymmetry associated with the typical ring slippage responsible for the enhanced activity of indenyl metal compounds when compared with the analogous cyclopentadienyl metal compound. There are three short Ir-C bonds of 2.210 (3), 2.190 (4) and 2.220 (3) Å and two long Ir-C bonds to the C atoms that are part of the fused six-membered ring of 2.349 (4) and 2.366 (3) Å for one of the independent molecules [2.208 (4), 2.222 (3), 2.197 (4) Å for the short distances and 2.371 (3) and 2.358 (3) Å for the long distances in the second molecule]. This results in both indenyl ligands being slightly kinked, with dihedral angles of 6.8 (4)° and 6.5 (4)°.

Related literature

For the structures of the analogous rhodium(I) complex determined from single crystal X-ray data, see: CCDC:576585 (Marder et al., 1987[Marder, T. B., Calabrese, J. C., Roe, D. C. & Tulip, T. H. (1987). Organometallics, 6, 2012-2014.]); CCDC:567925 (Mlekuz et al., 1986[Mlekuz, M., Bougeard, P., Sayer, B. G., McGlinchey, M. J., Rodger, C. A., Churchill, M. R., Ziller, J. W., Kang, S. K. & Albright, T. A. (1986). Organometallics, 5, 1656-1663.]). For a variable temperature NMR study of the title compound, see: Szajek et al. (1991[Szajek, L. P., Lawson, R. J. & Shapley, J. R. (1991). Organometallics, 10, 357-361.]). The structure of an [eta]3-indenyliridium complex can be found in CCDC:563532 (Merola et al., 1986[Merola, J. S., Kacmarcik, R. T. & Van Engen, D. (1986). J. Am. Chem. Soc. 108, 329-331.]). For seminal discussions on the "indenyl effect" see: Hart-Davis et al. (1970[Hart-Davis, A., White, C. & Mawby, R. (1970). Inorg. Chim. Acta, 4, 441-446.]); Rerek et al. (1983[Rerek, M. E., Ji, L.-N. & Basolo, F. (1983). Chem. Commun. pp. 1208-1209.]). The synthesis of [Ir(C2H2)2Cl]2 can be found in Herde et al. (1974[Herde, J. L., Lambert, J. C., Senoff, C. V. & Cushing, M. A. (1974). Inorganic Syntheses, pp. 18-20 John Wiley & Sons, Inc.]).

[Scheme 1]

Experimental

Crystal data
  • [Ir(C9H7)(C2H4)2]

  • Mr = 363.45

  • Monoclinic, P 21 /c

  • a = 7.73182 (11) Å

  • b = 10.77708 (13) Å

  • c = 25.6818 (5) Å

  • [beta] = 98.4034 (15)°

  • V = 2117.00 (5) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 12.57 mm-1

  • T = 100 K

  • 0.45 × 0.33 × 0.22 mm

Data collection
  • Agilent Xcalibur, Sapphire2 diffractometer

  • Absorption correction: gaussian (CrysAlis PRO; Agilent, 2013[Agilent (2013). CrysAlis PRO. Agilent Technologies UK Ltd, Yarnton, England.]) Tmin = 0.020, Tmax = 0.142

  • 55683 measured reflections

  • 6917 independent reflections

  • 6733 reflections with I > 2[sigma](I)

  • Rint = 0.027

Refinement
  • R[F2 > 2[sigma](F2)] = 0.024

  • wR(F2) = 0.055

  • S = 1.46

  • 6917 reflections

  • 253 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.69 e Å-3

  • [Delta][rho]min = -2.04 e Å-3

Data collection: CrysAlis PRO (Agilent, 2013[Agilent (2013). CrysAlis PRO. Agilent Technologies UK Ltd, Yarnton, England.]); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: OLEX2 (Dolomanov et al., 2009[Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339-341.]); software used to prepare material for publication: OLEX2.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: PK2496 ).


Acknowledgements

The author thanks the National Science Foundation for funds (CHE-01311288) for the purchase of the diffractometer. The author recognizes the payment of the open access fee by Virginia Tech University Libraries.

References

Agilent (2013). CrysAlis PRO. Agilent Technologies UK Ltd, Yarnton, England.
Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339-341.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Hart-Davis, A., White, C. & Mawby, R. (1970). Inorg. Chim. Acta, 4, 441-446.  [ChemPort]
Herde, J. L., Lambert, J. C., Senoff, C. V. & Cushing, M. A. (1974). Inorganic Syntheses, pp. 18-20 John Wiley & Sons, Inc.
Marder, T. B., Calabrese, J. C., Roe, D. C. & Tulip, T. H. (1987). Organometallics, 6, 2012-2014.  [CSD] [CrossRef] [ChemPort]
Merola, J. S., Kacmarcik, R. T. & Van Engen, D. (1986). J. Am. Chem. Soc. 108, 329-331.  [CSD] [CrossRef] [ChemPort] [Web of Science]
Mlekuz, M., Bougeard, P., Sayer, B. G., McGlinchey, M. J., Rodger, C. A., Churchill, M. R., Ziller, J. W., Kang, S. K. & Albright, T. A. (1986). Organometallics, 5, 1656-1663.  [CSD] [CrossRef] [ChemPort]
Rerek, M. E., Ji, L.-N. & Basolo, F. (1983). Chem. Commun. pp. 1208-1209.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Szajek, L. P., Lawson, R. J. & Shapley, J. R. (1991). Organometallics, 10, 357-361.  [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m547  [ doi:10.1107/S1600536813025300 ]

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