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Volume 68 
Part 11 
Page m1421  
November 2012  

Received 11 April 2012
Accepted 23 October 2012
Online 31 October 2012

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.002 Å
R = 0.023
wR = 0.062
Data-to-parameter ratio = 13.4
Details
Open access

Poly[[hexaaqua([mu]3-2,2'-bipyridine-4,4',6,6'-tetracarboxylato-[kappa]6O4:N,O6,O6',N':O4')dinickel(II)] dihydrate]

aState Key Lab. Base of Novel Functional Materials and Preparation Science, Institute of Solid Materials Chemistry, Faculty of Materials Science and Chemical Engineering, Ningbo University, Ningbo 315211, People's Republic of China
Correspondence e-mail: leikeweipublic@hotmail.com

In the title complex, {[Ni2(C14H4N2O8)(H2O)6]·2H2O}n, the two NiII atoms are located in different special positions (one on a twofold rotation axis and the second on a centre of symmetry) and have different distorted octahedral environments (one by two N atoms from a bipyridine unit, two O atoms from two water molecules and two O atoms from two carboxylate groups, and the second by four O atoms from four water molecules and two O atoms from two carboxylate groups). Thus, the environments of the NiII atoms may be denoted as NiN2O4 and NiO6. In the crystal, there exists an extensive network of classical O-H...O hydrogen bonds.

Related literature

For the synthesis of title compound, see: Al-Harbi (2011[Al-Harbi, T. (2011). J. Alloys Compd, 509, 387-390.]).

[Scheme 1]

Experimental

Crystal data
  • [Ni2(C14H4N2O8)(H2O)6]·2H2O

  • Mr = 589.70

  • Monoclinic, P 2/n

  • a = 7.3588 (8) Å

  • b = 11.8463 (13) Å

  • c = 11.9942 (13) Å

  • [beta] = 99.184 (1)°

  • V = 1032.19 (19) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.91 mm-1

  • T = 296 K

  • 0.28 × 0.24 × 0.19 mm

Data collection
  • Rigaku R-AXIS RAPID diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.591, Tmax = 0.695

  • 8794 measured reflections

  • 2365 independent reflections

  • 2248 reflections with I > 2[sigma](I)

  • Rint = 0.038

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

  • wR(F2) = 0.062

  • S = 1.06

  • 2365 reflections

  • 176 parameters

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

  • [Delta][rho]max = 0.40 e Å-3

  • [Delta][rho]min = -0.42 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H3B...O6 0.85 (2) 1.95 (2) 2.7821 (16) 169 (2)
O3-H3A...O8i 0.82 1.90 2.7189 (16) 174
O4-H4A...O6ii 0.82 1.95 2.7697 (17) 178
O4-H4B...O7iii 0.78 (3) 2.03 (3) 2.7997 (16) 172 (3)
O5-H5A...O2iv 0.82 1.90 2.6891 (16) 162
O5-H5B...O7v 0.78 (3) 1.96 (3) 2.7395 (17) 172 (3)
O6-H6A...O2v 0.79 (3) 2.03 (3) 2.8096 (17) 170 (2)
Symmetry codes: (i) x, y+1, z; (ii) [x+{\script{1\over 2}}, -y+2, z+{\script{1\over 2}}]; (iii) -x, -y+1, -z+2; (iv) [x+{\script{1\over 2}}, -y+1, z-{\script{1\over 2}}]; (v) [-x-{\script{1\over 2}}, y, -z+{\script{3\over 2}}].

Data collection: RAPID-AUTO (Rigaku, 1998[Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004[Rigaku/MSC (2004). 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RK2355 ).


Acknowledgements

This project was sponsored by the K. C. Wong Magna Fund in Ningbo University, the Talent Fund of Ningbo Municipal Natural Science Foundation (No. 2010 A610187) and the Talent Fund of Ningbo University (No. Xkl09070).

References

Al-Harbi, T. (2011). J. Alloys Compd, 509, 387-390.  [ChemPort]
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2004). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2012). E68, m1421  [ doi:10.1107/S1600536812043942 ]

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