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Volume 69 
Part 12 
Page m690  
December 2013  

Received 12 October 2013
Accepted 22 November 2013
Online 30 November 2013

Key indicators
Single-crystal X-ray study
T = 103 K
Mean [sigma](N-C) = 0.006 Å
R = 0.028
wR = 0.077
Data-to-parameter ratio = 11.7
Details
Open access

catena-Poly[[tetra-[mu]-formato-[kappa]8O:O'-dicopper(II)]-[mu]-hexa­methyl­ene­tetra­mine-[kappa]2N1:N5]

aChemical Engineering College, Qinghai University, Xining 810016, People's Republic of China
Correspondence e-mail: caojf_334@163.com

In the title polymeric compound, [Cu2(HCO2)4(C6H12N4)]n, the CuII atom is five-coordinated in a square-pyramidal geometry that is defined by four O atoms from four formate ligands and one N atom from a hexa­methyl­ene­tetra­mine ligand. The two CuII atoms are separated by 2.6850 (7) Å, and together with the four formate ligands they form a paddle-wheel unit. The hexa­mine ligand uses only two of its four N atoms to link Cu2 cluster units, affording a zigzag chain running along the b-axis direction. The hexa­mine ligand lies on a mirror plane.

Related literature

For background to hexa­mine chemistry, see: Dreyfors et al. (1989[Dreyfors, J. M., Jones, S. B. & Sayed, Y. (1989). Am. Ind. Hyg. Assoc. J. 50, 579-585.]); Kirillov (2011[Kirillov, A. M. (2011). Coord. Chem. Rev. 255, 1603-1622.]). For hexa­mine as a bridging ligand, see: Pickardt (1981[Pickardt, J. (1981). Acta Cryst. B37, 1753-1756.]); Konar et al. (2003[Konar, S., Mukherjee, P. S. M., Drew, G. B., Ribas, J. & Chaudhuri, N. R. (2003). Inorg. Chem. 42, 2545-2552.]); Wang et al. (2002[Wang, S., Hu, M.-L. & Ng, S. W. (2002). Acta Cryst. E58, m242-m244.]). For paddle-wheel Cu2-cluster units, see: Konar et al. (2003[Konar, S., Mukherjee, P. S. M., Drew, G. B., Ribas, J. & Chaudhuri, N. R. (2003). Inorg. Chem. 42, 2545-2552.]); Chiari et al. (1988[Chiari, B., Piovesana, O., Tarantelli, T. & Zanazzi, P. F. (1988). Inorg. Chem. 27, 3246-3248.]); Wu & Wang (2004[Wu, B. & Wang, G. (2004). Acta Cryst. E60, m1764-m1765.]); Sun et al. (2009[Sun, C. Y., Liu, S. X., Liang, D. D., Shao, K. Z., Ren, Y. H. & Su, Z. M. (2009). J. Am. Chem. Soc. 131, 1883-1888.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu2(CHO2)4(C6H12N4)]

  • Mr = 447.36

  • Orthorhombic, P n m a

  • a = 13.1252 (19) Å

  • b = 17.281 (3) Å

  • c = 6.4777 (9) Å

  • V = 1469.3 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 2.95 mm-1

  • T = 103 K

  • 0.26 × 0.24 × 0.18 mm

Data collection
  • Bruker SMART APEX area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.469, Tmax = 0.588

  • 5203 measured reflections

  • 1550 independent reflections

  • 1345 reflections with I > 2[sigma](I)

  • Rint = 0.021

Refinement
  • R[F2 > 2[sigma](F2)] = 0.028

  • wR(F2) = 0.077

  • S = 1.04

  • 1550 reflections

  • 115 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.69 e Å-3

  • [Delta][rho]min = -0.71 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: NG5345 ).


Acknowledgements

This work was partially supported by the Mid-aged and Young Foundation of Qinghai University (2012-QGT-2).

References

Bruker (1997). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chiari, B., Piovesana, O., Tarantelli, T. & Zanazzi, P. F. (1988). Inorg. Chem. 27, 3246-3248.  [CSD] [CrossRef] [ChemPort] [Web of Science]
Dreyfors, J. M., Jones, S. B. & Sayed, Y. (1989). Am. Ind. Hyg. Assoc. J. 50, 579-585.  [ChemPort] [PubMed]
Kirillov, A. M. (2011). Coord. Chem. Rev. 255, 1603-1622.  [CrossRef] [ChemPort]
Konar, S., Mukherjee, P. S. M., Drew, G. B., Ribas, J. & Chaudhuri, N. R. (2003). Inorg. Chem. 42, 2545-2552.  [CrossRef] [PubMed] [ChemPort]
Pickardt, J. (1981). Acta Cryst. B37, 1753-1756.  [CSD] [CrossRef] [IUCr Journals]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Sun, C. Y., Liu, S. X., Liang, D. D., Shao, K. Z., Ren, Y. H. & Su, Z. M. (2009). J. Am. Chem. Soc. 131, 1883-1888.  [Web of Science] [CSD] [CrossRef] [PubMed] [ChemPort]
Wang, S., Hu, M.-L. & Ng, S. W. (2002). Acta Cryst. E58, m242-m244.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Wu, B. & Wang, G. (2004). Acta Cryst. E60, m1764-m1765.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m690  [ doi:10.1107/S160053681303184X ]

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