Tetra­aqua­bis­(6-chloro­pyridine-3-carboxyl­ato-κO)nickel(II) tetra­hydrate

Xia, Q.-H.; Guo, Z.-F.; Liu, L.; Lv, J.-Q.; Li, B.

doi:10.1107/S160053681204322X

Volume 68
Part 11
Page m1393
November 2012

Received 6 October 2012
Accepted 17 October 2012
Online 20 October 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R = 0.028
wR = 0.076
Data-to-parameter ratio = 17.7
Details

Tetraaquabis(6-chloropyridine-3-carboxylato-O)nickel(II) tetrahydrate

Qiao-Hua Xia,^a Zhong-Fu Guo,^a Li Liu,^a Jian-Quan Lv ^a and Bing Li ^a ^*

^aCollege of Sciences, Zhejiang A&F University, Lin'an, Hangzhou, Zhejiang 311300, People's Republic of China
Correspondence e-mail: libingzjfc@163.com

In the title compound, [Ni(C₆H₃ClNO₂)₂(H₂O)₄]·4H₂O, the Ni^II ion is located on an inversion centre and is octahedrally coordinated by four O atoms from four water molecules in the equatorial plane and two O atoms of two 6-chloro-3-carboxylate ligands in axial positions. There are also four lattice water molecules present. The organic ligands are bound to the Ni^II ion in a monodentate manner through a carboxylate O atom. There is one strong intramolecular O-HO hydrogen bond and six intermolecular O-HO and O-HN hydrogen-bonding interactions in the packing, resulting in a complex three-dimensional network structure.

Related literature

For background to complexes based on 6-chloronicotinic acid, see: Long et al. (2007); Li et al. (2006).

Experimental

Crystal data

[Ni(C₆H₃ClNO₂)₂(H₂O)₄]·4H₂O
M_r = 515.91
Triclinic, $[P \overline 1]$
a = 7.0245 (14) Å
b = 7.3436 (15) Å
c = 11.547 (2) Å
= 86.35 (3)°
= 77.78 (3)°
= 64.55 (3)°
V = 525.4 (2) Å³
Z = 1
Mo K radiation
= 1.24 mm^-1
T = 293 K
0.39 × 0.29 × 0.16 mm

Data collection

Rigaku R-AXIS RAPID diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) T_min = 0.754, T_max = 0.862
5167 measured reflections
2371 independent reflections
2170 reflections with I > 2(I)
R_int = 0.049

Refinement

R[F² > 2(F²)] = 0.028
wR(F²) = 0.076
S = 1.06
2371 reflections
134 parameters
H-atom parameters constrained
_max = 0.47 e Å^-3
_min = -0.41 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
OW2-H2WAO2ⁱ	0.83	1.83	2.6401 (18)	167
OW1-H1WBOW3ⁱⁱ	0.81	2.07	2.869 (2)	167
OW1-H1WAOW4ⁱⁱⁱ	0.82	1.97	2.7915 (19)	179
OW4-H4WAN^iv	0.81	2.14	2.850 (2)	147
OW3-H3WBOW4^v	0.80	1.99	2.763 (2)	163
OW3-H3WAOW2^vi	0.81	2.21	2.933 (2)	149
OW2-H2WBOW3	0.84	1.98	2.819 (2)	177
OW4-H4WBO2	0.82	1.97	2.764 (2)	162
Symmetry codes: (i) -x, -y, -z+1; (ii) x, y-1, z; (iii) -x, -y-1, -z+1; (iv) -x, -y-1, -z+2; (v) x, y+1, z; (vi) -x+1, -y, -z+1.

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BQ2376 ).

Acknowledgements

This work was supported by the National Natural Science (No.21207117) and Zhejiang Provincial Municipal Science and Technology Project (2008 C12055).

References

Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Li, F.-H., Yin, H.-D., Sun, L., Zhao, Q. & Liu, W.-L. (2006). Acta Cryst. E62, m1117-m1118.
Long, S., Siegler, M. & Li, T. (2007). Acta Cryst. E63, o279-o281.
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.

metal-organic compounds