Poly[[hexa­aqua­(μ3-2,2′-bipyridine-4,4′,6,6′-tetra­carboxyl­ato-κ6O4:N,O6,O6′,N′:O4′)dinickel(II)] dihydrate]

Li, J.; Lei, K.-W.; Xia, D.-G.

doi:10.1107/S1600536812043942

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 (C-C) = 0.002 Å
R = 0.023
wR = 0.062
Data-to-parameter ratio = 13.4
Details

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

Jie Li,^a Ke-Wei Lei ^a ^* and Dong-Guo Xia ^a

^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 Ni^II 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 Ni^II atoms may be denoted as NiN₂O₄ and NiO₆. In the crystal, there exists an extensive network of classical O-HO hydrogen bonds.

Related literature

For the synthesis of title compound, see: Al-Harbi (2011).

Experimental

Crystal data

[Ni₂(C₁₄H₄N₂O₈)(H₂O)₆]·2H₂O
M_r = 589.70
Monoclinic, P 2/n
a = 7.3588 (8) Å
b = 11.8463 (13) Å
c = 11.9942 (13) Å
= 99.184 (1)°
V = 1032.19 (19) Å³
Z = 2
Mo K radiation
= 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) T_min = 0.591, T_max = 0.695
8794 measured reflections
2365 independent reflections
2248 reflections with I > 2(I)
R_int = 0.038

Refinement

R[F² > 2(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
_max = 0.40 e Å^-3
_min = -0.42 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O3-H3BO6	0.85 (2)	1.95 (2)	2.7821 (16)	169 (2)
O3-H3AO8ⁱ	0.82	1.90	2.7189 (16)	174
O4-H4AO6ⁱⁱ	0.82	1.95	2.7697 (17)	178
O4-H4BO7ⁱⁱⁱ	0.78 (3)	2.03 (3)	2.7997 (16)	172 (3)
O5-H5AO2^iv	0.82	1.90	2.6891 (16)	162
O5-H5BO7^v	0.78 (3)	1.96 (3)	2.7395 (17)	172 (3)
O6-H6AO2^v	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); 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: 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.
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.

metal-organic compounds

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