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Volume 69 
Part 10 
Pages m545-m546  
October 2013  

Received 6 September 2013
Accepted 12 September 2013
Online 18 September 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
R = 0.035
wR = 0.090
Data-to-parameter ratio = 33.6
Details
Open access

m-Xylylenediaminium diaquabis[dihydrogen diphosphato(2-)]cobaltate(II) dihydrate

aLaboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna Bizerte, Tunisie
Correspondence e-mail: mohamedrzaigui@yahoo.fr

In the title complex, (C8H14N2)[Co(H2P2O7)2(H2O)2]·2H2O, the CoII ion lies on an inversion center and is coordinated by two bidentate diphosphate ligands and two water molecules in a slightly distorted octahedral coordination geometry. The m-xylylenediaminium cation is located on a twofold rotation axis. In the crystal, a three-dimensional supramolecular assembly is constructed by O-H...O and N-H...O hydrogen bonds between the organic cations, complex anions and uncoordinated water molecules.

Related literature

For applications of diphosphate compounds containing transition metals, see: Erragh et al. (1998[Erragh, F., Boukhari, A., Sadel, A. & Holt, E. M. (1998). Acta Cryst. C54, 1373-1376.]); Handizi et al. (1994[Handizi, A., Boukhari, A., Holt, E. M., Aride, J., Belaiche, M. & Drillon, M. (1994). Eur. J. Solid State Inorg. Chem. 31, 123-135.]); Dridi et al. (2000[Dridi, N., Boukhari, A., Réau, J. M., Arbib, E. & Holt, E. M. (2000). Solid State Ionics, 127, 141-149.]); Cheetham et al. (1999[Cheetham, A. K., Ferey, G. & Loiseau, T. (1999). Angew. Chem. Int. Ed. Engl. 38, 3268-3292.]); Clearfield (1998[Clearfield, A. (1998). Chem. Mater. 10, 2801-2810.]). For bond-valence-sum calculations, see: Brown & Altermatt (1985[Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.]). For geometrical features in related structures, see: Selmi et al. (2006a[Selmi, A., Akriche, S. & Rzaigui, M. (2006a). Anal. Sci. 22, x135-x136.],b[Selmi, A., Akriche, S. & Rzaigui, M. (2006b). Acta Cryst. E62, m1796-m1798.], 2009[Selmi, A., Akriche, S. & Rzaigui, M. (2009). Acta Cryst. E65, m1487.]); Gharbi et al. (1994[Gharbi, A., Jouini, A., Averbuch-Pouchot, M. T. & Durif, A. (1994). J. Solid State Chem. 111, 330-337.]); Gharbi & Jouini (2004[Gharbi, A. & Jouini, A. (2004). J. Chem. Crystallogr. 34, 11-13.]); Nelson et al. (2007[Nelson, J. H., Narducci Sarjeant, A. & Norquist, A. J. (2007). Acta Cryst. E63, m1442-m1444.]).

[Scheme 1]

Experimental

Crystal data
  • (C8H14N2)[Co(H2P2O7)2(H2O)2]·2H2O

  • Mr = 621.12

  • Monoclinic, C 2/c

  • a = 11.933 (2) Å

  • b = 9.132 (4) Å

  • c = 21.441 (3) Å

  • [beta] = 101.20 (2)°

  • V = 2291.8 (11) Å3

  • Z = 4

  • Ag K[alpha] radiation

  • [lambda] = 0.56087 Å

  • [mu] = 0.58 mm-1

  • T = 293 K

  • 0.27 × 0.21 × 0.15 mm

Data collection
  • Enraf Nonius CAD4 diffractometer

  • 7386 measured reflections

  • 5609 independent reflections

  • 4197 reflections with I > 2[sigma](I)

  • Rint = 0.019

  • 2 standard reflections every 120 min intensity decay: 2%

Refinement
  • R[F2 > 2[sigma](F2)] = 0.035

  • wR(F2) = 0.090

  • S = 1.06

  • 5609 reflections

  • 167 parameters

  • 6 restraints

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

  • [Delta][rho]max = 0.87 e Å-3

  • [Delta][rho]min = -0.41 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O2-H2O2...O6i 0.82 1.74 2.5574 (18) 172
O7-H7...O3ii 0.82 1.74 2.5268 (18) 160
O1W-H1W1...O6i 0.84 (1) 1.99 (1) 2.8289 (17) 174 (2)
O1W-H2W1...O3iii 0.85 (1) 1.94 (1) 2.7891 (17) 174 (2)
O2W-H1W2...O3iv 0.85 (1) 2.15 (1) 2.972 (2) 162 (2)
O2W-H2W2...O6v 0.86 (1) 2.12 (1) 2.946 (2) 163 (2)
N1-H1A...O2i 0.89 2.22 2.9694 (18) 142
N1-H1A...O2Wvi 0.89 2.36 2.969 (3) 126
N1-H1B...O7iii 0.89 2.01 2.8893 (18) 167
N1-H1C...O5 0.89 1.99 2.8701 (19) 171
Symmetry codes: (i) -x, -y+1, -z+1; (ii) -x, -y, -z+1; (iii) [x+{\script{1\over 2}}, y+{\script{1\over 2}}, z]; (iv) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (v) [-x, y, -z+{\script{1\over 2}}]; (vi) [-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{1\over 2}}].

Data collection: CAD-4 EXPRESS (Enraf-Nonius, 1994[Enraf-Nonius (1994). CAD-4 EXPRESS. Enraf-Nonius, Delft, The Netherlands.]); cell refinement: CAD-4 EXPRESS; data reduction: XCAD4 (Harms & Wocadlo, 1996[Harms, K. & Wocadlo, S. (1996). XCAD4. University of Marburg, Germany.]); program(s) used to solve structure: SHELXS86 (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: ORTEP-3 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]) and DIAMOND (Brandenburg & Putz, 2005[Brandenburg, K. & Putz, H. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: WinGX publication routines (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH5650 ).


References

Brandenburg, K. & Putz, H. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.  [CrossRef] [Web of Science] [IUCr Journals]
Cheetham, A. K., Ferey, G. & Loiseau, T. (1999). Angew. Chem. Int. Ed. Engl. 38, 3268-3292.  [CrossRef] [PubMed] [ChemPort]
Clearfield, A. (1998). Chem. Mater. 10, 2801-2810.  [Web of Science] [CrossRef] [ChemPort]
Dridi, N., Boukhari, A., Réau, J. M., Arbib, E. & Holt, E. M. (2000). Solid State Ionics, 127, 141-149.  [Web of Science] [CrossRef] [ChemPort]
Enraf-Nonius (1994). CAD-4 EXPRESS. Enraf-Nonius, Delft, The Netherlands.
Erragh, F., Boukhari, A., Sadel, A. & Holt, E. M. (1998). Acta Cryst. C54, 1373-1376.  [CrossRef] [IUCr Journals]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Gharbi, A. & Jouini, A. (2004). J. Chem. Crystallogr. 34, 11-13.  [Web of Science] [CSD] [CrossRef]
Gharbi, A., Jouini, A., Averbuch-Pouchot, M. T. & Durif, A. (1994). J. Solid State Chem. 111, 330-337.  [CSD] [CrossRef] [ChemPort] [Web of Science]
Handizi, A., Boukhari, A., Holt, E. M., Aride, J., Belaiche, M. & Drillon, M. (1994). Eur. J. Solid State Inorg. Chem. 31, 123-135.  [ChemPort]
Harms, K. & Wocadlo, S. (1996). XCAD4. University of Marburg, Germany.
Nelson, J. H., Narducci Sarjeant, A. & Norquist, A. J. (2007). Acta Cryst. E63, m1442-m1444.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Selmi, A., Akriche, S. & Rzaigui, M. (2006a). Anal. Sci. 22, x135-x136.  [ChemPort]
Selmi, A., Akriche, S. & Rzaigui, M. (2006b). Acta Cryst. E62, m1796-m1798.  [CSD] [CrossRef] [IUCr Journals]
Selmi, A., Akriche, S. & Rzaigui, M. (2009). Acta Cryst. E65, m1487.  [CrossRef] [IUCr Journals]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m545-m546   [ doi:10.1107/S160053681302535X ]

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