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Volume 68 
Part 11 
Page m1423  
November 2012  

Received 17 August 2012
Accepted 23 October 2012
Online 31 October 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.012 Å
R = 0.037
wR = 0.079
Data-to-parameter ratio = 13.8
Details
Open access

Bis{2,4-dibromo-6-[(E)-(4-fluorobenzyl)iminomethyl]phenolato-[kappa]2N,O}cobalt(II)

aState Key Lab. Base of Novel Functional Materials and Preparation Science, Institute of Solid Materials Chemistry, Faculty of Materials Science and Chemical Engineering, Ningbo University, Ningbo 315211, People's Republic of China, and bZhejiang Textile and Fashion College, Ningbo 315211, People?s Republic of China
Correspondence e-mail: leikeweipublic@hotmail.com

The complete molecule of the title complex, [Co(C14H9Br2FNO)2], is generated by crystallographic twofold symmetry, with the CoII atom lying on the rotation axis. The coordination of the metal atom by the two N,O-bidentate ligands results in a squashed CoN2O2 tetrahedron. The six-membered chelate ring is an envelope, with the metal atom as the flap. The dihedral angle between the planes of the aromatic rings within each ligand is 84.1 (6)°.

Related literature

For a related structure, see: Jadeja & Shah (2007[Jadeja, R. T. & Shah, J. R. (2007). Polyhedron, 26, 1677-1685.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C14H9Br2FNO)2]

  • Mr = 830.97

  • Monoclinic, C 2

  • a = 14.6921 (14) Å

  • b = 9.7598 (3) Å

  • c = 13.1195 (13) Å

  • [beta] = 133.608 (17)°

  • V = 1362.2 (4) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 6.54 mm-1

  • T = 293 K

  • 0.33 × 0.21 × 0.12 mm

Data collection
  • Rigaku R-AXIS RAPID CCD diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.210, Tmax = 0.456

  • 5582 measured reflections

  • 2437 independent reflections

  • 2161 reflections with I > 2[sigma](I)

  • Rint = 0.035

Refinement
  • R[F2 > 2[sigma](F2)] = 0.037

  • wR(F2) = 0.079

  • S = 1.02

  • 2437 reflections

  • 177 parameters

  • 1 restraint

  • H-atom parameters constrained

  • [Delta][rho]max = 0.44 e Å-3

  • [Delta][rho]min = -0.46 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 961 Friedel pairs

  • Flack parameter: -0.012 (14)

Table 1
Selected geometric parameters (Å, °)

Co1-O1 1.933 (4)
Co1-N1 2.023 (5)
O1-Co1-O1i 143.6 (2)
O1-Co1-N1 92.90 (17)
O1i-Co1-N1 104.12 (18)
N1-Co1-N1i 123.7 (3)
Symmetry code: (i) -x+2, y, -z+2.

Data collection: RAPID-AUTO (Rigaku, 1998[Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004[Rigaku/MSC (2004). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.]); 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: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB6941 ).


Acknowledgements

This project was sponsored by K. C. Wong Magna Fund in Ningbo University, the Talent Fund of Ningbo Municipal Natural Science Foundation (No. 2010 A610187) and the Talent Fund of Ningbo University (No. Xkl09070).

References

Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Jadeja, R. T. & Shah, J. R. (2007). Polyhedron, 26, 1677-1685.  [CrossRef] [ChemPort]
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2004). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2012). E68, m1423  [ doi:10.1107/S1600536812043929 ]

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