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Volume 65 
Part 2 
Pages m163-m164  
February 2009  

Received 20 November 2008
Accepted 27 December 2008
Online 8 January 2009

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.005 Å
R = 0.034
wR = 0.080
Data-to-parameter ratio = 19.4
Details
Open access

catena-Poly[diethyl(2-hydroxyethyl)ammonium [[tetra-[mu]-acetato-[kappa]8O:O'-dicuprate(II)(Cu-Cu)]-[mu]-acetato-[kappa]2O:O'] dichloromethane solvate]

aDepartment of Chemistry, Quaid-i-Azam University, Islamabad 45320, Pakistan, and bThe School of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL, England
Correspondence e-mail: mazhar42pk@yahoo.com

The title compound, {(C6H16NO)[Cu2(CH3COO)5]·CH2Cl2}n, consists of acetate-bridged Cu2(CH3COO)4 units that are connected via another acetate anion at each terminus to form infinite anionic [{Cu2(CH3COO)4}(CH3COO)]n chains along [100]. The connecting acetate is hydrogen bonded to the diethyl(2-hydroxyethyl)ammonium cation, and the dichloromethane solvent molecule fills the remaining voids in the structure. The O-Cu-Cu angles along the polymeric chain are nearly linear [175.49 (5)°], but individual O-Cu-Cu-O units along the chain are bent and rotated against each other at the bridging acetate ion. Translation of each Cu2(CH3COO)4 unit along the chain, represented by the least-squares plane of the two copper ions along with four of the acetate O atoms, rotated these units by 35.16 (3)°.

Related literature

Shahid, Mazhar, Helliwell et al. (2008[Shahid, M., Mazhar, M., Helliwell, M., Akhtar, J. & Ahmad, K. (2008). Acta Cryst. E64, m1139-m1140.]) describe the study of dinuclear Cu complexes; Van Niekerk & Schoening (1953[Van Niekerk, J. N. & Schoening, F. R. L. (1953). Nature (London), 171, 36-37.]) provide X-ray evidence for Cu-Cu bonds in cupric acetate; Brown & Chidambaram (1973[Brown, G. M. & Chidambaram, R. (1973). Acta Cryst. B29, 2393-2403.]) report the redetermination of the structure of cupric acetate by neutron-diffraction; Shahid, Mazhar, Malik et al. (2008[Shahid, M., Mazhar, M., Malik, M. A., O'Brien, P. & Raftery, J. (2008). Polyhedron, 27, 3337-3342.]); Hamid et al. (2007[Hamid, M., Tahir, A. A., Mazhar, M., Zeller, M. & Hunter, A. D. (2007). Inorg. Chem. 46, 4120-4127.]) and Zhang et al. (2004[Zhang, Y.-L., Chen, S.-W., Liu, W.-S. & Wang, D.-Q. (2004). Acta Cryst. E60, m196-m197.]) describe geometric parameters of organo-copper complexes.

[Scheme 1]

Experimental

Crystal data
  • (C6H16NO)[Cu2(C2H3O2)5]·CH2Cl2

  • Mr = 625.42

  • Orthorhombic, P n a 21

  • a = 17.6366 (11) Å

  • b = 12.1078 (8) Å

  • c = 11.9148 (7) Å

  • V = 2544.3 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.94 mm-1

  • T = 100 (2) K

  • 0.40 × 0.40 × 0.10 mm

Data collection
  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SMART and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.657, Tmax = 0.830

  • 21202 measured reflections

  • 5939 independent reflections

  • 5693 reflections with I > 2[sigma](I)

  • Rint = 0.029

Refinement
  • R[F2 > 2[sigma](F2)] = 0.034

  • wR(F2) = 0.080

  • S = 1.08

  • 5939 reflections

  • 306 parameters

  • 1 restraint

  • H-atom parameters constrained

  • [Delta][rho]max = 0.75 e Å-3

  • [Delta][rho]min = -0.40 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 2726 Friedel pairs

  • Flack parameter: 0.017 (11)

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1...O10i 0.93 1.97 2.832 (4) 153
N1-H1...O9i 0.93 2.45 3.056 (3) 123
O11-H11...O9i 0.84 2.04 2.840 (3) 159
Symmetry code: (i) [x-{\script{1\over 2}}, -y+{\script{3\over 2}}, z].

Data collection: SMART (Bruker, 2001[Bruker (2001). SMART and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2003[Bruker (2003). SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT-Plus; 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: ZL2161 ).


Acknowledgements

MS is grateful to the Higher Education Commission of Pakistan and the Pakistan Science Foundation for financial support via their PhD program.

References

Brown, G. M. & Chidambaram, R. (1973). Acta Cryst. B29, 2393-2403.  [CrossRef] [details]
Bruker (2001). SMART and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2003). SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Hamid, M., Tahir, A. A., Mazhar, M., Zeller, M. & Hunter, A. D. (2007). Inorg. Chem. 46, 4120-4127.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Shahid, M., Mazhar, M., Helliwell, M., Akhtar, J. & Ahmad, K. (2008). Acta Cryst. E64, m1139-m1140.  [CSD] [CrossRef] [details]
Shahid, M., Mazhar, M., Malik, M. A., O'Brien, P. & Raftery, J. (2008). Polyhedron, 27, 3337-3342.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Van Niekerk, J. N. & Schoening, F. R. L. (1953). Nature (London), 171, 36-37.  [CrossRef] [ChemPort] [ISI]
Zhang, Y.-L., Chen, S.-W., Liu, W.-S. & Wang, D.-Q. (2004). Acta Cryst. E60, m196-m197.  [CSD] [CrossRef] [details]


Acta Cryst (2009). E65, m163-m164   [ doi:10.1107/S1600536808044048 ]

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