Tetra­aqua­bis(5-hydroxy­nicotinato-κN)cadmium(II)

Jiang, M.-X.; Feng, Y.-L.

doi:10.1107/S1600536808035903

Volume 64
Part 12
Page m1517
December 2008

Received 22 October 2008
Accepted 1 November 2008
Online 8 November 2008

Key indicators
Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.002 Å
R = 0.016
wR = 0.042
Data-to-parameter ratio = 13.4
Details

Tetraaquabis(5-hydroxynicotinato-N)cadmium(II)

Mei-Xiang Jiang ^a and Yun-Long Feng ^a ^*

^aZhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces, Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, Zhejiang 321004, People's Republic of China
Correspondence e-mail: sky37@zjnu.edu.cn

The title compound, [Cd(C₆H₄NO₃)₂(H₂O)₄], was obtained by the reaction of cadmium chloride with 5-hydroxynicotinic acid. The Cd^II atom is located on an inversion centre and is coordinated by two N atoms from two 5-hydroxynicotinic acid ligands and four water molecules in a distorted octahedral geometry. The structure is stabilized by intermolecular O-HO hydrogen bonds, forming a three-dimensional network.

Related literature

For cadmium componds and their photoluminescent properties, see: He et al. (2008); Kang et al. (2007); Zhang et al. (2006); Zora et al. (2006).

Experimental

Crystal data

[Cd(C₆H₄NO₃)₂(H₂O)₄]
M_r = 460.68
Triclinic, $[P \overline 1]$
a = 7.2190 (1) Å
b = 7.2510 (1) Å
c = 8.9260 (1) Å
= 70.377 (1)°
= 68.154 (1)°
= 65.7170 (10)°
V = 385.97 (1) Å³
Z = 1
Mo K radiation
= 1.48 mm^-1
T = 296 (2) K
0.27 × 0.17 × 0.07 mm

Data collection

Bruker APEXII diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.667, T_max = 0.903
6067 measured reflections
1759 independent reflections
1754 reflections with I > 2(I)
R_int = 0.017

Refinement

R[F² > 2(F²)] = 0.016
wR(F²) = 0.042
S = 1.09
1759 reflections
131 parameters
7 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.36 e Å^-3
_min = -0.34 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1W-H1WAO2ⁱ	0.81 (2)	1.94 (2)	2.742 (2)	171 (3)
O1W-H1WBO3ⁱⁱ	0.79 (2)	2.20 (2)	2.973 (2)	164 (3)
O2W-H2WAO1ⁱⁱⁱ	0.82 (2)	1.87 (2)	2.656 (2)	160 (3)
O2W-H2WBO2^iv	0.82 (2)	1.93 (2)	2.735 (2)	165 (3)
O3-H3O1^v	0.83 (2)	1.88 (2)	2.664 (2)	157 (3)
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) -x, -y+1, -z+2; (iii) -x+2, -y+1, -z+1; (iv) x, y-1, z+1; (v) x-1, y, z.

Data collection: SMART (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: XPREP (Bruker, 2004); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: AT2660 ).

References

Bruker (2004). SAINT, SMART and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.
He, Y. H., Feng, Y. L., Lan, Y. Z. & Wen, Y. H. (2008). Cryst. Growth Des. 8, 3586-3594.
Kang, Y., Zhang, J., Qin, Y. Y., Li, Z. J. & Yao, Y. G. (2007). J. Mol. Struct. 784, 98-108.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Zhang, L. Y., Zhang, J. P., Lin, Y. Y. & Chen, X. M. (2006). Cryst. Growth Des. 6, 1684-1689.
Zora, P., Gordana, P., Marijana, V. & Drazen, V. T. (2006). Polyhedron, 25, 2353-2362.

metal-organic compounds