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Volume 69 
Part 7 
Page m416  
July 2013  

Received 25 May 2013
Accepted 20 June 2013
Online 26 June 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.020 Å
R = 0.047
wR = 0.164
Data-to-parameter ratio = 12.0
Details
Open access

catena-Poly[(diaquacadmium)-[mu]-iminodiacetato-[kappa]4O,N,O':O'']

aCollege of Chemistry and Chemical Engineering, Guangxi University for Nationalities, Nanning 530006, People's Republic of China
Correspondence e-mail: pgh1919@163.com

In the title compound, [Cd(C4H5NO4)(H2O)2]n, the CdII atom exhibits a distorted octahedral coordination geometry, defined by one N atom and three O atoms from two iminodiacetate (IDA) ligands and two water molecules. The tridentate IDA ligand additionally bridges via one of its carboxylate O atoms to another CdII atom, thus forming a zigzag chain along [001]. A three-dimensional network is completed by intermolecular O-H...O and N-H...O hydrogen bonds.

Related literature

For background to CdII complexes, see: Brusau et al. (2001[Brusau, E. V., Pedregosa, J. C., Narda, G. E., Pozzi, G., Echeverria, G. & Punte, G. (2001). J. Coord. Chem. 54, 469-480.]). For related structures, see: Su & Xu (2005[Su, J.-R. & Xu, D.-J. (2005). J. Coord. Chem. 58, 863-868.]); Zhang & Lu (2004[Zhang, Q.-Z. & Lu, C.-Z. (2004). Acta Cryst. E60, m1189-m1190.]).

[Scheme 1]

Experimental

Crystal data
  • [Cd(C4H5NO4)(H2O)2]

  • Mr = 279.52

  • Orthorhombic, P c a 21

  • a = 14.6600 (3) Å

  • b = 5.4905 (2) Å

  • c = 9.7928 (3) Å

  • V = 788.23 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 2.76 mm-1

  • T = 296 K

  • 0.22 × 0.17 × 0.16 mm

Data collection
  • Bruker SMART 1000 CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.582, Tmax = 0.666

  • 3775 measured reflections

  • 1303 independent reflections

  • 1173 reflections with I > 2[sigma](I)

  • Rint = 0.036

Refinement
  • R[F2 > 2[sigma](F2)] = 0.047

  • wR(F2) = 0.164

  • S = 1.09

  • 1303 reflections

  • 109 parameters

  • 1 restraint

  • H-atom parameters constrained

  • [Delta][rho]max = 2.05 e Å-3

  • [Delta][rho]min = -1.23 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 566 Friedel pairs

  • Flack parameter: 0.04 (14)

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-H5A...O1i 0.85 1.84 2.685 (15) 176
O5-H5B...O6ii 0.85 2.03 2.880 (15) 176
O6-H6A...O2iii 0.85 1.81 2.649 (14) 168
O6-H6B...O3ii 0.85 1.91 2.750 (15) 168
N1-H1...O2i 0.91 2.05 2.953 (16) 174
Symmetry codes: (i) x, y+1, z; (ii) [-x, -y+1, z-{\script{1\over 2}}]; (iii) [x-{\script{1\over 2}}, -y, z].

Data collection: SMART (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). 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: DIAMOND (Brandenburg, 1999[Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2628 ).


Acknowledgements

This work was supported by the Innovation Project of Guangxi University for Nationalities.

References

Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Brusau, E. V., Pedregosa, J. C., Narda, G. E., Pozzi, G., Echeverria, G. & Punte, G. (2001). J. Coord. Chem. 54, 469-480.  [Web of Science] [CrossRef] [ChemPort]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [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]
Su, J.-R. & Xu, D.-J. (2005). J. Coord. Chem. 58, 863-868.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Zhang, Q.-Z. & Lu, C.-Z. (2004). Acta Cryst. E60, m1189-m1190.  [CrossRef] [IUCr Journals]


Acta Cryst (2013). E69, m416  [ doi:10.1107/S1600536813017121 ]

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