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Volume 68 
Part 12 
Pages m1484-m1485  
December 2012  

Received 25 October 2012
Accepted 7 November 2012
Online 14 November 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.005 Å
R = 0.041
wR = 0.110
Data-to-parameter ratio = 15.8
Details
Open access

Poly[[[mu]-aqua-diaquabis([mu]-furan-2,5-dicarboxylato-[kappa]2O2:O5)bis(1,10-phenanthroline-[kappa]2N,N')dicopper(II)] N,N-dimethylformamide monosolvate]

aSchool of Chemical Engineering, Changchun University of Technology, Changchun 130012, People's Republic of China
Correspondence e-mail: fly012345@sohu.com

The asymmetric unit of the title compound, {[Cu2(C6H2O5)2(C12H8N2)2(H2O)3]·C3H7NO}n, contains two CuII atoms, two furan-2,5-dicarboxylate (L) ligands, two 1,10-phenanthroline (phen) ligands, three coordinating water molecules and one N,N-dimethylformamide solvent molecule. Each CuII atom is coordinated by two N atoms from one phen ligand, two O atoms from two L ligands and two water molecules in a distorted octahedral geometry. The main difference between the environments of the two independent Cu atoms is in the Cu-Owater distances, which are 2.415 (2) and 2.639 (2) Å for one CuII atom and 2.3560 (19) and 2.911 (4) Å for the other. Ligands L and one independent water molecule bridge the CuII atoms, forming corrugated polymeric layers parallel to the ab plane. Intermolecular O-H...O and C-H...O hydrogen bonds consolidate the crystal packing.

Related literature

For a related structure, see: Li et al. (2012[Li, Y.-F., Xu, Y., Qin, X.-L., Gao, W.-Y. & Gao, Y. (2012). Acta Cryst. E68, m750.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu2(C6H2O5)2(C12H8N2)2(H2O)3]·C3H7NO

  • Mr = 922.78

  • Monoclinic, P 21 /c

  • a = 16.620 (3) Å

  • b = 11.600 (2) Å

  • c = 20.168 (4) Å

  • [beta] = 92.41 (3)°

  • V = 3884.6 (13) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.17 mm-1

  • T = 293 K

  • 0.35 × 0.20 × 0.17 mm

Data collection
  • Rigaku R-AXIS RAPID diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.685, Tmax = 0.826

  • 36308 measured reflections

  • 8855 independent reflections

  • 6642 reflections with I > 2[sigma](I)

  • Rint = 0.047

Refinement
  • R[F2 > 2[sigma](F2)] = 0.041

  • wR(F2) = 0.110

  • S = 1.05

  • 8855 reflections

  • 561 parameters

  • 13 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.65 e Å-3

  • [Delta][rho]min = -0.35 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1A...O5i 0.84 (2) 1.88 (2) 2.715 (3) 170 (3)
O1W-H1B...O7 0.85 (2) 1.96 (2) 2.729 (3) 151 (3)
O2W-H2A...O10ii 0.88 (2) 1.98 (2) 2.729 (3) 143 (2)
O2W-H2B...O3Wi 0.86 (2) 1.89 (2) 2.726 (3) 163 (3)
O3W-H3A...O2 0.85 (2) 2.14 (3) 2.694 (3) 123 (2)
O3W-H3B...O41iii 0.88 (2) 1.88 (2) 2.758 (4) 178 (4)
C3-H3...O5i 0.93 2.53 3.424 (3) 161
C4-H4...O2i 0.93 2.44 3.287 (3) 152
C9-H9...O10iv 0.93 2.33 3.193 (3) 155
C10-H10...O7iv 0.93 2.41 3.324 (3) 168
C15-H15...O8v 0.93 2.42 3.327 (4) 166
C18-H18...O5iii 0.93 2.56 3.416 (4) 154
C20-H20...O2iii 0.93 2.52 3.230 (4) 133
C21-H21...O41 0.93 2.54 3.349 (5) 146
C33-H33...O2Wvi 0.93 2.59 3.402 (5) 146
Symmetry codes: (i) [-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (ii) x+1, y, z; (iii) -x+1, -y+1, -z; (iv) [-x, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]; (v) -x, -y+1, -z; (vi) -x+2, -y+1, -z+1.

Data collection: PROCESS-AUTO (Rigaku, 1998[Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002[Rigaku/MSC (2002). 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: DIAMOND (Brandenburg, 2000[Brandenburg, K. (2000). 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: CV5353 ).


Acknowledgements

This project was sponsored by the Scientific Research Foundation for the Returned Overseas Team, Chinese Education Ministry.

References

Brandenburg, K. (2000). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Li, Y.-F., Xu, Y., Qin, X.-L., Gao, W.-Y. & Gao, Y. (2012). Acta Cryst. E68, m750.  [CSD] [CrossRef] [details]
Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2012). E68, m1484-m1485   [ doi:10.1107/S1600536812046041 ]

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