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Volume 69 
Part 12 
Page i83  
December 2013  

Received 1 November 2013
Accepted 8 November 2013
Online 13 November 2013

Key indicators
Single-crystal X-ray study
T = 223 K
Mean [sigma](Ni-O) = 0.001 Å
R = 0.029
wR = 0.074
Data-to-parameter ratio = 16.3
Details
Open access

Hexa­aqua­nickel(II) di­hydrogen hypodiphosphate

aInstitute of Inorganic and Analytical Chemistry, Clausthal University of Technology, Paul-Ernst-Strasse 4, D-38678 Clausthal-Zellerfeld, Germany
Correspondence e-mail: mimoza.gjikaj@tu-clausthal.de

The asymmetric unit of the title compound, [Ni(H2O)6](H2P2O6), contains one-half of the hexa­aqua­nickel(II) cation and one-half of the di­hydrogen hypodiphosphate anion. In the complex cation, the Ni2+ atom is located on an inversion center and has an octa­hedral coordination sphere. The P-P distance in the centrosymmetric anion is 2.1853 (7) Å. In the crystal, discrete [Ni(H2O)6]2+ cations and (H2P2O6)2- anions are stacked in columns parallel to the c axis and are linked into a three-dimensional network by medium-strength O-H...O hydrogen bonds.

Related literature

For the synthesis of hypodiphosphates, see: Leininger & Chulski (1953[Leininger, E. & Chulski, T. (1953). Inorg. Synth. 4, 68-71.]). For applications of hypodiphosphates, see: Bloss & Henzel (1967[Bloss, K. H. & Henzel, N. (1967). Fresenius J. Anal. Chem. 226, 25-28.]); Ruflin et al. (2007[Ruflin, C., Fischbach, U., Gruetzmacher, H. & Levalois-Gruetzmacher, J. (2007). Heteroatom Chem. 18, 721-731.]); Szklarz et al. (2011[Szklarz, P., Chanski, M., Slepokura, K. & Lis, T. (2011). Chem. Mater. 23, 1082-1084.]). For the crystal structures of transition metal hypodiphosphate 12-hydrates, see: Hagen & Jansen (1995[Hagen, S. & Jansen, M. (1995). Z. Anorg. Allg. Chem. 621, 149-152.]); Haag et al. (2005[Haag, J. M., Lebret, G. C., Cleary, D. A. & Twamley, B. (2005). J. Solid State Chem. 178, 1308-1311.]). For the crystal structures of hydrogen hypodiphosphate compounds, see: Collin & Willis (1971[Collin, R. L. & Willis, M. (1971). Acta Cryst. B27, 291-302.]); Szafranowska et al. (2012[Szafranowska, B., Slepokura, K. & Lis, T. (2012). Acta Cryst. C68, i71-i82.]); Wu et al. (2012[Wu, P., Wiegand, Th., Eckert, H. & Gjikaj, M. (2012). J. Solid State Chem. 194, 212-218.]).

Experimental

Crystal data
  • [Ni(H2O)6](H2P2O6)

  • Mr = 326.76

  • Monoclinic, P 21 /n

  • a = 9.3031 (14) Å

  • b = 5.8892 (8) Å

  • c = 9.7620 (12) Å

  • [beta] = 96.111 (11)°

  • V = 531.80 (13) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 2.18 mm-1

  • T = 223 K

  • 0.29 × 0.25 × 0.22 mm

Data collection
  • Stoe IPDS-II diffractometer

  • Absorption correction: numerical (X-SHAPE and X-RED; Stoe & Cie, 1999[Stoe & Cie (1999). X-SHAPE. Stoe & Cie GmbH, Darmstadt, Germany.], 2001[Stoe & Cie (2001). X-RED. Stoe & Cie GmbH, Darmstadt, Germany.]) Tmin = 0.537, Tmax = 0.619

  • 8061 measured reflections

  • 1601 independent reflections

  • 1546 reflections with I > 2[sigma](I)

  • Rint = 0.056

Refinement
  • R[F2 > 2[sigma](F2)] = 0.029

  • wR(F2) = 0.074

  • S = 1.16

  • 1601 reflections

  • 98 parameters

  • All H-atom parameters refined

  • [Delta][rho]max = 0.44 e Å-3

  • [Delta][rho]min = -1.08 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H3...O2i 0.92 (3) 1.68 (3) 2.5919 (15) 168 (3)
O4-H4A...O3ii 0.82 (3) 1.93 (3) 2.7293 (16) 165 (3)
O4-H4B...O2iii 0.82 (3) 1.89 (3) 2.6822 (14) 162 (3)
O5-H5A...O1 0.81 (3) 1.98 (3) 2.7770 (15) 171 (3)
O5-H5B...O2iv 0.84 (3) 2.04 (3) 2.8722 (16) 171 (3)
O6-H6A...O1v 0.81 (2) 2.05 (2) 2.8163 (16) 159 (2)
O6-H6B...O1ii 0.84 (3) 2.08 (3) 2.9132 (17) 168 (3)
Symmetry codes: (i) -x, -y+1, -z+1; (ii) [-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]; (iii) -x+1, -y+1, -z+1; (iv) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]; (v) x, y+1, z.

Data collection: X-AREA (Stoe & Cie, 2002[Stoe & Cie (2002). X-AREA. Stoe & Cie GmbH, Darmstadt, Germany.]); cell refinement: X-AREA; data reduction: X-AREA; 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, 2012[Brandenburg, K. (2012). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXL97, PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]) and publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2784 ).


References

Bloss, K. H. & Henzel, N. (1967). Fresenius J. Anal. Chem. 226, 25-28.  [ChemPort]
Brandenburg, K. (2012). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Collin, R. L. & Willis, M. (1971). Acta Cryst. B27, 291-302.  [CrossRef] [ChemPort] [IUCr Journals] [Web of Science]
Haag, J. M., Lebret, G. C., Cleary, D. A. & Twamley, B. (2005). J. Solid State Chem. 178, 1308-1311.  [Web of Science] [CrossRef] [ChemPort]
Hagen, S. & Jansen, M. (1995). Z. Anorg. Allg. Chem. 621, 149-152.  [CrossRef] [ChemPort]
Leininger, E. & Chulski, T. (1953). Inorg. Synth. 4, 68-71.  [CrossRef] [ChemPort]
Ruflin, C., Fischbach, U., Gruetzmacher, H. & Levalois-Gruetzmacher, J. (2007). Heteroatom Chem. 18, 721-731.  [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Stoe & Cie (1999). X-SHAPE. Stoe & Cie GmbH, Darmstadt, Germany.
Stoe & Cie (2001). X-RED. Stoe & Cie GmbH, Darmstadt, Germany.
Stoe & Cie (2002). X-AREA. Stoe & Cie GmbH, Darmstadt, Germany.
Szafranowska, B., Slepokura, K. & Lis, T. (2012). Acta Cryst. C68, i71-i82.  [CrossRef] [ChemPort] [IUCr Journals]
Szklarz, P., Chanski, M., Slepokura, K. & Lis, T. (2011). Chem. Mater. 23, 1082-1084.  [Web of Science] [CrossRef] [ChemPort]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Wu, P., Wiegand, Th., Eckert, H. & Gjikaj, M. (2012). J. Solid State Chem. 194, 212-218.  [Web of Science] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, i83  [ doi:10.1107/S1600536813030717 ]

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