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Volume 70 
Part 1 
Pages m9-m10  
January 2014  

Received 25 November 2013
Accepted 29 November 2013
Online 7 December 2013

Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.006 Å
Disorder in solvent or counterion
R = 0.045
wR = 0.076
Data-to-parameter ratio = 15.5
Details
Open access

(1,4,7,10,13,16-Hexaoxa­cyclo­octa­decane-[kappa]6O)bis­(tetra­hydro­furan-[kappa]O)potassium bis­[(1,2,3,4-[eta])-anthracene]cobalt(-I) tetra­hydro­furan monosolvate

aTechnische Universität München, Department of Chemistry, Lichtenbergstrasse 4, 85747 Garching, Germany
Correspondence e-mail: thomas.faessler@lrz.tum.de

The asymmetric unit of the title compound, [K(C12H24O6)(C4H8O)2][Co(C14H10)2]·C4H8O, consists of one cationic potassium complex, one anionic cobalt dianthracene complex and one tetra­hydro­furan solvent mol­ecule. The potassium cation is situated at the centre of an 18-crown-6 mol­ecule and between two tetra­hydro­furan mol­ecules, the latter coordin­ating above and below the mean plane formed by the O atoms of the crown ether mol­ecule. The Co atom is coordinated by eight C atoms of two anthracene mol­ecules in an [eta]4 manner. The third free tetra­hydro­furan mol­ecule shows orientational disorder on two partially occupied positions [occupancy ratio 0.561 (8):0.439 (8)].

Related literature

For the synthesis, see: Brennessel, Young & Ellis (2002[Brennessel, W. W., Young, V. G. Jr & Ellis, J. E. (2002). Angew. Chem. Int. Ed. 41, 1211-1215.]); Brennessel & Ellis (2012[Brennessel, W. W. & Ellis, J. E. (2012). Inorg. Chem. 51, 9076-9094.]). Other homoleptic transition metal-anthracene complexes are reported by Elschenbroich et al. (1984[Elschenbroich, C., Möckel, R. & Bilger, L. (1984). Z. Naturforsch. Teil B, 39, 375-383.]); Brennessel, Ellis, Pomije et al. (2002[Brennessel, W. W., Ellis, J. E., Pomije, M. K., Sussman, V. J., Urnezius, E. & Young, V. G. Jr (2002). J. Am. Chem. Soc. 124, 10258-10259.]), Brennessel, Ellis, Roush et al. (2002[Brennessel, W. W., Ellis, J. E., Roush, S. N., Strandberg, B. R., Woisetschläger, O. E. & Young, V. G. Jr (2002). Chem. Commun. pp. 2356-2357.]); Brennessel et al. (2007[Brennessel, W. W., Jilek, R. E. & Ellis, J. E. (2007). Angew. Chem. Int. Ed. 46, 6132-6136.]); Jilek et al. (2008[Jilek, R. E., Jang, M., Smolensky, E. D., Britton, J. D. & Ellis, J. E. (2008). Angew. Chem. Int. Ed. 47, 8692-8695.]). For related structures, see: Hanic & Mills (1968[Hanic, F. & Mills, O. S. (1968). J. Organomet. Chem. 11, 151-158.]); Veauthier et al. (2000[Veauthier, J. M., Chow, A., Fraenkel, G., Geib, S. J. & Cooper, N. J. (2000). Organometallics, 19, 661-671.]); Wang & Fässler (2009[Wang, J. Q. & Fässler, T. F. (2009). Z. Naturforsch. Teil B, 64, 985-988.]); Woolf et al. (2011[Woolf, A., Chaplin, A. B., McGrady, J. E., Alibadi, M. A. M., Rees, N., Draper, S., Murphy, F. & Weller, A. S. (2011). Eur. J. Inorg. Chem. pp. 1614-1625.]); Zhu et al. (2006[Zhu, G., Janak, K. E., Figueroa, J. S. & Parkin, G. (2006). J. Am. Chem. Soc. 128, 5452-5461.]). Zintl compounds and their chemistry are reviewed by Scharfe et al. (2011[Scharfe, S., Kraus, F., Stegmaier, S., Schier, A. & Fässler, T. F. (2011). Angew. Chem. Int. Ed. 50, 3630-3670.]). For a description of the Cambridge Structural database, see: Allen (2002[Allen, F. H. (2002). Acta Cryst. B58, 380-388.]).

[Scheme 1]

Experimental

Crystal data
  • [K(C12H24O6)(C4H8O)2][Co(C14H10)2]·C4H8O

  • Mr = 935.09

  • Orthorhombic, P 21 21 21

  • a = 13.0428 (10) Å

  • b = 13.3557 (10) Å

  • c = 27.4939 (17) Å

  • V = 4789.3 (6) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.50 mm-1

  • T = 150 K

  • 0.60 × 0.30 × 0.05 mm

Data collection
  • Oxford Diffraction Xcalibur 3 diffractometer

  • Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, England.]) Tmin = 0.787, Tmax = 0.975

  • 62002 measured reflections

  • 9364 independent reflections

  • 4717 reflections with I > 2[sigma](I)

  • Rint = 0.105

Refinement
  • R[F2 > 2[sigma](F2)] = 0.045

  • wR(F2) = 0.076

  • S = 0.77

  • 9364 reflections

  • 604 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.96 e Å-3

  • [Delta][rho]min = -0.37 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 4164 Friedel pairs

  • Absolute structure parameter: -0.005 (14)

Data collection: CrysAlis CCD (Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, England.]); cell refinement: CrysAlis RED (Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, England.]); data reduction: CrysAlis RED; 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: DIAMOND (Brandenburg, 2012[Brandenburg, K. (2012). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HG5364 ).


Acknowledgements

This work was supported by the Deutsche Forschungsgemeinschaft. HH thanks the Chinese Scholarship Council for support.

References

Allen, F. H. (2002). Acta Cryst. B58, 380-388.  [Web of Science] [CrossRef] [IUCr Journals]
Brandenburg, K. (2012). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Brennessel, W. W. & Ellis, J. E. (2012). Inorg. Chem. 51, 9076-9094.  [Web of Science] [CSD] [CrossRef] [ChemPort] [PubMed]
Brennessel, W. W., Ellis, J. E., Pomije, M. K., Sussman, V. J., Urnezius, E. & Young, V. G. Jr (2002). J. Am. Chem. Soc. 124, 10258-10259.  [Web of Science] [CSD] [CrossRef] [PubMed] [ChemPort]
Brennessel, W. W., Ellis, J. E., Roush, S. N., Strandberg, B. R., Woisetschläger, O. E. & Young, V. G. Jr (2002). Chem. Commun. pp. 2356-2357.  [CSD] [CrossRef]
Brennessel, W. W., Jilek, R. E. & Ellis, J. E. (2007). Angew. Chem. Int. Ed. 46, 6132-6136.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Brennessel, W. W., Young, V. G. Jr & Ellis, J. E. (2002). Angew. Chem. Int. Ed. 41, 1211-1215.  [CrossRef] [ChemPort]
Elschenbroich, C., Möckel, R. & Bilger, L. (1984). Z. Naturforsch. Teil B, 39, 375-383.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [IUCr Journals]
Hanic, F. & Mills, O. S. (1968). J. Organomet. Chem. 11, 151-158.  [CSD] [CrossRef] [ChemPort]
Jilek, R. E., Jang, M., Smolensky, E. D., Britton, J. D. & Ellis, J. E. (2008). Angew. Chem. Int. Ed. 47, 8692-8695.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Oxford Diffraction (2009). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, England.
Scharfe, S., Kraus, F., Stegmaier, S., Schier, A. & Fässler, T. F. (2011). Angew. Chem. Int. Ed. 50, 3630-3670.  [Web of Science] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Veauthier, J. M., Chow, A., Fraenkel, G., Geib, S. J. & Cooper, N. J. (2000). Organometallics, 19, 661-671.  [CSD] [CrossRef] [ChemPort]
Wang, J. Q. & Fässler, T. F. (2009). Z. Naturforsch. Teil B, 64, 985-988.  [ChemPort]
Woolf, A., Chaplin, A. B., McGrady, J. E., Alibadi, M. A. M., Rees, N., Draper, S., Murphy, F. & Weller, A. S. (2011). Eur. J. Inorg. Chem. pp. 1614-1625.  [Web of Science] [CSD] [CrossRef]
Zhu, G., Janak, K. E., Figueroa, J. S. & Parkin, G. (2006). J. Am. Chem. Soc. 128, 5452-5461.  [Web of Science] [CSD] [CrossRef] [PubMed] [ChemPort]


Acta Cryst (2014). E70, m9-m10   [ doi:10.1107/S1600536813032510 ]

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