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Volume 69 
Part 4 
Page m197  
April 2013  

Received 25 January 2013
Accepted 7 March 2013
Online 13 March 2013

Key indicators
Single-crystal X-ray study
T = 223 K
Mean [sigma](C-C) = 0.003 Å
R = 0.023
wR = 0.052
Data-to-parameter ratio = 14.7
Details
Open access

catena-Poly[[[diaqua(tetramethylethylenediamine-[kappa]2N,N')nickel(II)]-[mu]-sulfato-[kappa]2O:O'] monohydrate]

aInstitut für Chemie, Naturwissenschaftliche Fakultät II, Martin-Luther-Universität Halle-Wittenberg, Kurt-Mothes-Strasse 2, 06120 Halle (Saale), Germany
Correspondence e-mail: kurt.merzweiler@chemie.uni-halle.de

The title compound, {[Ni(SO4)(C6H16N2)(H2O)2]·H2O}n, contains a NiII atom that is coordinated nearly octahedrally by a chelating tetraethylenediamine (tmeda) ligand, two water molecules in a cis arrangement and two O atoms of two sulfate anions in a trans arrangement. The sulfate anions act as [mu]2-bridging ligands leading to a chain structure of alternating NiO4N2 octahedra and SO4 tetrahedra parallel to [001]. The polymeric chains are linked by O-H...O hydrogen bonds between coordinating water molecules and sulfate anions to give double strands. There is a lattice water molecule which is also involved in O-H...O hydrogen bonding between adjacent [Ni(SO4)(tmeda)(H2O)2] chains.

Related literature

For crystal structures of oligo- and polymeric nickel(II) tmeda complexes, see: Anderson et al. (2009[Anderson, J. C., Blake, A. J., Moreno, R. B., Raynel, G. & van Slageren, J. (2009). Dalton Trans. pp. 9153-9156.]); Erer et al. (2010[Erer, H., Yesilel, O. Z., Dege, N. & Alpaslan, Y. B. (2010). J. Inorg. Organomet. Polym. 20, 411-415.]). For related literature on one-dimensional metal sulfates, see: Behera & Rao (2006[Behera, J. N. & Rao, C. N. R. (2006). Chem. Asian J. 1, 742-750.]).

[Scheme 1]

Experimental

Crystal data
  • [Ni(SO4)(C6H16N2)(H2O)2]·H2O

  • Mr = 325.03

  • Orthorhombic, P n a 21

  • a = 21.108 (4) Å

  • b = 9.9335 (19) Å

  • c = 6.3879 (13) Å

  • V = 1339.4 (5) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.63 mm-1

  • T = 223 K

  • 0.48 × 0.11 × 0.11 mm

Data collection
  • Stoe IPDS diffractometer

  • Absorption correction: numerical (IPDS; Stoe & Cie, 1999[Stoe & Cie (1999). IPDS Program Package. Stoe & Cie, Darmstadt, Germany.]) Tmin = 0.648, Tmax = 0.841

  • 10054 measured reflections

  • 2585 independent reflections

  • 2291 reflections with I > 2[sigma](I)

  • Rint = 0.054

Refinement
  • R[F2 > 2[sigma](F2)] = 0.023

  • wR(F2) = 0.052

  • S = 1.04

  • 2585 reflections

  • 176 parameters

  • 7 restraints

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

  • [Delta][rho]max = 0.37 e Å-3

  • [Delta][rho]min = -0.31 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 1167 Friedel pairs

  • Flack parameter: -0.005 (13)

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-H2...O4i 0.84 (2) 1.84 (2) 2.672 (2) 171 (3)
O5-H1...O7 0.83 (2) 1.93 (2) 2.765 (3) 176 (3)
O6-H4...O3 0.83 (2) 1.89 (2) 2.687 (3) 160 (3)
O6-H3...O3ii 0.83 (2) 2.03 (2) 2.829 (3) 162 (3)
O7-H5...O4 0.83 (2) 2.12 (2) 2.899 (3) 157 (3)
O7-H6...O3ii 0.83 (2) 2.18 (2) 2.934 (3) 151 (3)
Symmetry codes: (i) x, y, z-1; (ii) [-x, -y+1, z-{\script{1\over 2}}].

Data collection: IPDS (Stoe & Cie, 1999[Stoe & Cie (1999). IPDS Program Package. Stoe & Cie, Darmstadt, Germany.]); cell refinement: IPDS; data reduction: IPDS; 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, 2009[Brandenburg, K. (2009). 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: WM2722 ).


References

Anderson, J. C., Blake, A. J., Moreno, R. B., Raynel, G. & van Slageren, J. (2009). Dalton Trans. pp. 9153-9156.  [CSD] [CrossRef]
Behera, J. N. & Rao, C. N. R. (2006). Chem. Asian J. 1, 742-750.  [CSD] [CrossRef] [PubMed] [ChemPort]
Brandenburg, K. (2009). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Erer, H., Yesilel, O. Z., Dege, N. & Alpaslan, Y. B. (2010). J. Inorg. Organomet. Polym. 20, 411-415.  [ISI] [CSD] [CrossRef] [ChemPort]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Stoe & Cie (1999). IPDS Program Package. Stoe & Cie, Darmstadt, Germany.


Acta Cryst (2013). E69, m197  [ doi:10.1107/S1600536813006557 ]

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